#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2j s ASP 3 N 0.00 6.49 0.00 4.52 1.11 -1.26 -1.98 116.67 125.55 3i2j s ASP 3 Ca 0.00 2.76 0.00 0.00 0.18 0.00 0.00 52.55 55.49 3i2j s ASP 3 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 3i2j s ASP 3 CO 0.00 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.09 3i2j n GLY 4 N 3.37 1.02 3.92 0.21 0.00 -1.18 -5.07 105.19 107.45 3i2j n GLY 4 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3i2j n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2j s ASN 5 N -2.24 6.40 0.28 1.61 -0.87 -0.84 -4.69 114.94 114.60 3i2j s ASN 5 Ca 0.00 0.39 -0.15 0.00 -1.57 0.00 0.00 52.86 51.54 3i2j s ASN 5 Cb 0.00 -2.01 0.01 0.00 -0.02 0.00 0.00 41.25 39.23 3i2j s ASN 5 CO 0.00 0.04 0.59 -0.72 -2.57 0.00 0.00 177.10 174.44 3i2j s TYR 6 N -1.71 0.23 0.18 2.20 1.13 -1.26 -1.53 117.35 116.58 3i2j s TYR 6 Ca 0.38 -0.65 0.07 0.00 -1.41 0.00 0.00 57.07 55.46 3i2j s TYR 6 Cb -0.12 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 3i2j s TYR 6 CO 0.28 -1.15 -0.13 -1.54 -2.51 0.00 0.00 175.55 170.49 3i2j s SER 7 N -3.01 2.27 -0.11 -0.18 1.04 -0.46 -4.90 113.70 108.35 3i2j s SER 7 Ca 0.19 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 55.63 3i2j s SER 7 Cb -0.03 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.03 3i2j s SER 7 CO 0.10 -0.21 -0.09 -0.69 0.98 0.00 0.00 173.24 173.33 3i2j s VAL 8 N -2.97 1.08 -0.19 5.02 1.01 -1.26 -1.20 120.40 121.89 3i2j s VAL 8 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3i2j s VAL 8 Cb -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3i2j s VAL 8 CO 0.04 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.48 3i2j s ALA 9 N 1.56 2.89 -0.07 5.51 0.00 -0.24 -4.96 121.76 126.45 3i2j s ALA 9 Ca 0.02 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 3i2j s ALA 9 Cb -0.13 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3i2j s ALA 9 CO -0.07 -0.17 0.16 -1.12 0.00 0.00 0.00 175.76 174.57 3i2j s SER 10 N 1.03 6.39 -1.33 0.00 0.01 -1.26 -0.57 113.70 117.97 3i2j s SER 10 Ca 0.01 0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.65 3i2j s SER 10 Cb -0.15 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.06 3i2j s SER 10 CO 0.01 0.34 0.93 0.59 0.41 0.00 0.00 173.24 175.52 3i2j n ASN 11 N 1.53 -3.07 -4.68 2.44 3.02 -0.88 -4.96 115.26 108.66 3i2j n ASN 11 Ca -0.16 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 3i2j n ASN 11 Cb 0.54 -4.53 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 3i2j n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i2j s VAL 12 N -3.45 4.43 -0.21 2.41 1.01 0.20 -4.79 120.40 120.01 3i2j s VAL 12 Ca 0.23 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.77 3i2j s VAL 12 Cb -0.11 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3i2j s VAL 12 CO 0.78 -0.03 0.48 -0.04 0.00 0.00 0.00 175.10 176.29 3i2j s MET 13 N 2.38 4.16 -0.23 2.72 1.00 -1.26 -0.91 119.30 127.15 3i2j s MET 13 Ca 0.53 0.34 -0.03 0.00 0.00 0.00 0.00 55.69 56.52 3i2j s MET 13 Cb -0.22 -3.57 0.00 0.00 0.00 0.00 0.00 34.83 31.04 3i2j s MET 13 CO 0.19 -0.16 -0.04 0.08 0.00 0.00 0.00 175.02 175.09 3i2j s VAL 14 N 1.67 3.25 0.04 -6.03 1.01 0.41 -4.89 120.40 115.86 3i2j s VAL 14 Ca 0.22 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3i2j s VAL 14 Cb -0.15 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 3i2j s VAL 14 CO 0.09 0.33 1.16 -2.16 0.00 0.00 0.00 175.10 174.52 3i2j s PRO 15 N 1.43 4.45 0.68 2.72 0.04 -1.26 -0.51 135.00 142.55 3i2j s PRO 15 Ca 0.04 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 3i2j s PRO 15 Cb -0.15 -3.38 0.07 0.00 0.04 0.00 0.00 34.50 31.08 3i2j s PRO 15 CO -0.03 -0.24 0.96 -1.64 0.04 0.00 0.00 177.00 176.09 3i2j s MET 16 N 1.14 2.12 0.57 4.56 -1.94 0.66 -4.91 119.30 121.51 3i2j s MET 16 Ca 0.57 -0.57 0.27 0.00 -1.71 0.00 0.00 55.69 54.26 3i2j s MET 16 Cb -0.28 -2.27 1.63 0.00 2.01 0.00 0.00 34.83 35.92 3i2j s MET 16 CO 0.28 -1.19 2.14 0.07 -0.01 0.00 0.00 175.02 176.31 3i2j h ARG 17 N -0.45 0.00 -0.23 2.03 0.11 -1.93 -0.32 114.38 113.59 3i2j h ARG 17 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 3i2j h ARG 17 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3i2j h ARG 17 CO 0.53 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.20 3i2j n ASP 18 N -3.96 2.28 0.00 0.08 5.75 -1.26 -4.93 116.55 114.50 3i2j n ASP 18 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3i2j n ASP 18 Cb 0.25 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3i2j n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2j n GLY 19 N 1.26 1.53 3.73 6.12 0.00 -0.13 -5.04 105.19 112.66 3i2j n GLY 19 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3i2j n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2j s VAL 20 N -2.68 3.46 -0.19 1.61 1.01 -1.26 -4.69 120.40 117.67 3i2j s VAL 20 Ca 0.00 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 3i2j s VAL 20 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3i2j s VAL 20 CO 0.00 0.16 0.06 -0.13 0.00 0.00 0.00 175.10 175.19 3i2j s ARG 21 N 0.10 3.96 -0.13 2.72 0.52 -1.26 -0.24 118.95 124.62 3i2j s ARG 21 Ca 0.56 -0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 55.36 3i2j s ARG 21 Cb -0.34 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 3i2j s ARG 21 CO 0.36 0.24 0.10 -0.51 0.02 0.00 0.00 175.30 175.50 3i2j s LEU 22 N 0.46 4.10 0.06 2.53 1.02 0.34 -1.23 118.68 125.97 3i2j s LEU 22 Ca 0.03 0.32 -0.27 0.00 0.02 0.00 0.00 54.13 54.23 3i2j s LEU 22 Cb -0.13 -2.00 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 3i2j s LEU 22 CO 0.01 0.35 0.84 0.00 0.02 0.00 0.00 176.35 177.56 3i2j s ALA 23 N -0.69 3.32 0.13 4.21 0.00 -1.26 -0.45 121.76 127.02 3i2j s ALA 23 Ca 0.12 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.53 3i2j s ALA 23 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3i2j s ALA 23 CO 0.03 0.02 -0.14 0.14 0.00 0.00 0.00 175.76 175.80 3i2j s VAL 24 N 0.04 1.36 -0.13 0.00 -7.23 -0.09 -1.45 120.40 112.90 3i2j s VAL 24 Ca 0.42 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3i2j s VAL 24 Cb -0.21 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3i2j s VAL 24 CO 0.25 -0.46 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.76 3i2j s ASP 25 N -2.59 5.03 -0.27 4.85 1.01 0.08 -0.63 116.67 124.15 3i2j s ASP 25 Ca 0.11 -0.00 -0.07 0.00 0.71 0.00 0.00 52.55 53.30 3i2j s ASP 25 Cb -0.04 -1.64 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 3i2j s ASP 25 CO 0.03 0.26 0.07 -0.76 0.21 0.00 0.00 175.17 174.98 3i2j s LEU 26 N -0.17 3.59 -0.46 1.23 1.43 0.26 -1.99 118.68 122.57 3i2j s LEU 26 Ca 0.04 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3i2j s LEU 26 Cb -0.13 -1.90 0.09 0.00 0.03 0.00 0.00 46.19 44.28 3i2j s LEU 26 CO 0.02 -0.10 0.35 -0.31 0.23 0.00 0.00 176.35 176.54 3i2j s TYR 27 N 1.57 3.30 -0.13 0.29 1.51 0.36 -1.08 117.35 123.17 3i2j s TYR 27 Ca 0.05 -1.31 0.03 0.00 -1.01 0.00 0.00 57.07 54.83 3i2j s TYR 27 Cb -0.16 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 3i2j s TYR 27 CO 0.03 -0.87 -0.21 1.03 -1.11 0.00 0.00 175.55 174.42 3i2j s ARG 28 N 1.52 3.09 0.52 -0.62 0.52 -0.34 -0.81 118.95 122.83 3i2j s ARG 28 Ca 0.04 -0.84 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 3i2j s ARG 28 Cb -0.25 -2.43 -0.06 0.00 0.52 0.00 0.00 34.95 32.73 3i2j s ARG 28 CO 0.04 0.08 1.17 -1.25 0.02 0.00 0.00 175.30 175.36 3i2j s PRO 29 N 0.60 3.43 -0.39 3.54 0.04 -1.26 -1.36 135.00 139.60 3i2j s PRO 29 Ca -0.12 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 3i2j s PRO 29 Cb -0.16 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3i2j s PRO 29 CO 0.03 -0.82 1.72 -0.51 0.04 0.00 0.00 177.00 177.47 3i2j s ASP 30 N -1.54 5.90 -0.10 6.66 1.01 -0.58 -4.85 116.67 123.17 3i2j s ASP 30 Ca 0.70 1.05 -0.05 0.00 0.71 0.00 0.00 52.55 54.97 3i2j s ASP 30 Cb -0.28 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.17 3i2j s ASP 30 CO 0.32 -1.75 0.23 0.00 0.21 0.00 0.00 175.17 174.18 3i2j s ALA 31 N 6.88 -0.50 0.23 5.23 0.00 -1.26 -4.21 121.76 128.14 3i2j s ALA 31 Ca 0.74 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 53.37 3i2j s ALA 31 Cb -0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 3i2j s ALA 31 CO 0.31 -0.21 0.86 -0.51 0.00 0.00 0.00 175.76 176.22 3i2j s ASP 32 N 1.29 7.43 0.00 0.00 1.01 -1.26 -4.88 116.67 120.26 3i2j s ASP 32 Ca -0.09 1.77 0.00 0.00 0.71 0.00 0.00 52.55 54.94 3i2j s ASP 32 Cb -0.11 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3i2j s ASP 32 CO -0.08 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.02 3i2j n GLY 33 N 1.22 -2.41 3.79 0.21 0.00 -1.26 -5.01 105.19 101.73 3i2j n GLY 33 Ca -0.02 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3i2j n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i2j s PRO 34 N -5.52 2.44 0.17 1.61 0.04 -1.26 -4.99 135.00 127.49 3i2j s PRO 34 Ca 0.00 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.01 3i2j s PRO 34 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 3i2j s PRO 34 CO 0.00 -1.44 -0.06 0.14 0.04 0.00 0.00 177.00 175.67 3i2j s VAL 35 N -3.02 1.05 0.62 -0.36 -7.23 0.37 -4.61 120.40 107.22 3i2j s VAL 35 Ca 0.60 -2.04 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 3i2j s VAL 35 Cb -0.15 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 3i2j s VAL 35 CO 0.55 -0.63 1.11 -2.16 -0.31 0.00 0.00 175.10 173.67 3i2j s PRO 36 N -3.80 2.98 -0.02 4.82 0.04 -1.26 -1.13 135.00 136.63 3i2j s PRO 36 Ca 0.20 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.73 3i2j s PRO 36 Cb 0.04 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3i2j s PRO 36 CO 0.02 -1.12 -0.14 0.08 0.04 0.00 0.00 177.00 175.88 3i2j s VAL 37 N -2.18 1.14 -0.11 -0.36 1.01 -0.39 -1.53 120.40 117.99 3i2j s VAL 37 Ca 0.68 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3i2j s VAL 37 Cb -0.21 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3i2j s VAL 37 CO 0.37 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.85 3i2j s LEU 38 N -0.25 2.40 -0.10 3.92 1.43 0.42 -0.43 118.68 126.08 3i2j s LEU 38 Ca 0.04 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3i2j s LEU 38 Cb -0.07 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3i2j s LEU 38 CO -0.00 0.18 -0.08 -0.22 0.23 0.00 0.00 176.35 176.46 3i2j s LEU 39 N 0.22 3.08 -0.12 1.79 2.96 0.39 -0.35 118.68 126.65 3i2j s LEU 39 Ca -0.12 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3i2j s LEU 39 Cb -0.16 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.86 3i2j s LEU 39 CO 0.06 0.29 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.54 3i2j s VAL 40 N -0.35 1.56 -0.27 1.68 1.01 0.32 -3.32 120.40 121.04 3i2j s VAL 40 Ca 0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3i2j s VAL 40 Cb -0.12 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3i2j s VAL 40 CO 0.02 0.45 0.07 -0.13 0.00 0.00 0.00 175.10 175.52 3i2j s ARG 41 N 1.10 3.43 -0.08 2.72 0.52 -1.26 -1.15 118.95 124.22 3i2j s ARG 41 Ca -0.04 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 3i2j s ARG 41 Cb -0.14 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 32.01 3i2j s ARG 41 CO -0.04 -0.29 -0.03 1.21 0.02 0.00 0.00 175.30 176.17 3i2j s ASN 42 N 1.57 1.75 -0.01 0.23 3.04 -0.14 -4.27 114.94 117.11 3i2j s ASN 42 Ca 0.05 -0.17 0.12 0.00 0.04 0.00 0.00 52.86 52.90 3i2j s ASN 42 Cb -0.16 -0.59 0.35 0.00 -1.54 0.00 0.00 41.25 39.32 3i2j s ASN 42 CO 0.03 -0.15 1.28 -0.81 -3.04 0.00 0.00 177.10 174.40 3i2j n PRO 43 N 4.97 1.99 -0.88 0.43 -0.04 -1.26 -1.87 135.00 138.35 3i2j n PRO 43 Ca -0.10 -1.43 -0.00 0.00 -0.04 0.00 0.00 63.50 61.93 3i2j n PRO 43 Cb 0.50 -1.35 0.17 0.00 -0.04 0.00 0.00 33.50 32.79 3i2j n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i2j n TYR 44 N 0.62 0.57 -1.45 0.54 4.01 -1.26 -4.93 117.16 115.26 3i2j n TYR 44 Ca 0.13 -1.64 -0.00 0.00 -0.16 0.00 0.00 57.90 56.22 3i2j n TYR 44 Cb 0.36 -0.28 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3i2j n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3i2j n ASP 45 N -1.04 -2.58 0.01 7.72 -0.08 -1.26 -4.63 116.55 114.69 3i2j n ASP 45 Ca 0.24 0.29 0.20 0.00 -1.51 0.00 0.00 54.79 54.01 3i2j n ASP 45 Cb 0.76 -1.75 0.70 0.00 2.34 0.00 0.00 41.12 43.17 3i2j n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3i2j h LYS 46 N 0.74 0.00 -0.78 -0.67 2.10 -1.84 -0.63 116.57 115.49 3i2j h LYS 46 Ca -0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 3i2j h LYS 46 Cb 0.11 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.40 3i2j h LYS 46 CO 0.00 0.00 0.34 0.74 -2.00 0.00 0.00 179.45 178.53 3i2j h PHE 47 N 0.00 1.16 -0.64 0.07 0.04 -1.95 -3.36 116.94 112.27 3i2j h PHE 47 Ca 0.24 -0.07 -0.70 0.00 2.80 0.00 0.00 57.97 60.24 3i2j h PHE 47 Cb 1.01 -0.35 -0.07 0.00 2.20 0.00 0.00 35.95 38.73 3i2j h PHE 47 CO 0.00 0.87 2.49 -3.47 -0.60 0.00 0.00 178.31 177.60 3i2j n ASP 48 N -4.33 4.58 0.14 2.17 2.03 -0.24 -4.73 116.55 116.17 3i2j n ASP 48 Ca 0.07 -2.90 0.01 0.00 0.52 0.00 0.00 54.79 52.49 3i2j n ASP 48 Cb 0.16 -1.70 0.12 0.00 -0.72 0.00 0.00 41.12 38.98 3i2j n ASP 48 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3i2j h VAL 49 N 4.91 1.14 0.00 5.18 -1.51 -1.80 -3.26 116.25 120.91 3i2j h VAL 49 Ca 0.48 -2.24 -0.08 0.00 -1.23 0.00 0.00 66.70 63.63 3i2j h VAL 49 Cb 0.78 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 32.25 3i2j h VAL 49 CO 1.61 0.57 -0.40 -0.26 -1.23 0.00 0.00 177.57 177.86 3i2j h PHE 50 N 0.00 0.00 -0.74 5.19 0.04 -1.96 -2.77 116.94 116.71 3i2j h PHE 50 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3i2j h PHE 50 Cb 1.27 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.38 3i2j h PHE 50 CO 0.00 0.40 0.40 0.00 -0.60 0.00 0.00 178.31 178.51 3i2j h ALA 51 N 1.60 1.31 0.00 2.45 0.00 -1.97 -3.33 119.26 119.32 3i2j h ALA 51 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3i2j h ALA 51 Cb 0.79 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3i2j h ALA 51 CO 0.05 0.56 -1.52 -2.67 0.00 0.00 0.00 179.25 175.67 3i2j n TRP 52 N -4.35 0.00 0.19 0.00 4.27 -1.23 -4.74 117.44 111.57 3i2j n TRP 52 Ca 0.07 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.72 3i2j n TRP 52 Cb 0.10 -0.34 0.44 0.00 -1.36 0.00 0.00 31.31 30.15 3i2j n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3i2j h SER 53 N 0.00 0.06 0.48 -0.67 0.02 -1.59 -1.61 113.55 110.23 3i2j h SER 53 Ca -0.16 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3i2j h SER 53 Cb 1.17 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3i2j h SER 53 CO 0.01 0.27 0.00 0.35 -1.14 0.00 0.00 176.83 176.32 3i2j n THR 54 N -4.26 0.98 -1.06 -2.27 -2.24 -1.26 -1.46 114.28 102.71 3i2j n THR 54 Ca -0.02 0.37 0.04 0.00 -2.27 0.00 0.00 64.05 62.18 3i2j n THR 54 Cb 0.29 -1.30 0.28 0.00 -2.10 0.00 0.00 70.33 67.49 3i2j n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2j n GLN 55 N -2.10 3.13 0.00 -0.78 3.00 -0.61 -4.86 117.38 115.17 3i2j n GLN 55 Ca 0.01 -2.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.03 3i2j n GLN 55 Cb 0.16 -1.96 0.00 0.00 0.00 0.00 0.00 30.24 28.44 3i2j n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i2j n SER 56 N -0.41 0.00 -3.66 1.08 2.88 -0.54 -4.85 113.62 108.11 3i2j n SER 56 Ca 0.27 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.69 3i2j n SER 56 Cb 1.03 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.44 3i2j n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2j s THR 57 N 0.00 0.06 -1.35 2.46 -4.23 -1.09 -4.71 115.64 106.79 3i2j s THR 57 Ca 0.00 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.86 3i2j s THR 57 Cb 0.00 -1.04 0.11 0.00 1.34 0.00 0.00 72.50 72.91 3i2j s THR 57 CO 0.00 -0.29 1.96 0.59 -0.54 0.00 0.00 174.62 176.34 3i2j n ASN 58 N 0.23 4.60 0.08 3.99 3.02 -1.26 -4.74 115.26 121.19 3i2j n ASN 58 Ca -0.17 -2.97 0.11 0.00 -0.03 0.00 0.00 54.58 51.51 3i2j n ASN 58 Cb 0.61 -1.59 0.44 0.00 -0.61 0.00 0.00 39.78 38.63 3i2j n ASN 58 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 3i2j n TRP 59 N 5.42 0.54 0.28 3.10 4.27 -1.26 -1.43 117.44 128.35 3i2j n TRP 59 Ca 0.45 0.20 0.12 0.00 -3.89 0.00 0.00 57.50 54.38 3i2j n TRP 59 Cb 0.39 -0.82 0.80 0.00 -1.36 0.00 0.00 31.31 30.32 3i2j n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3i2j h LEU 60 N 0.00 0.00 -1.46 5.67 3.38 -2.01 -1.27 115.31 119.62 3i2j h LEU 60 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3i2j h LEU 60 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3i2j h LEU 60 CO 0.00 0.00 0.42 -0.33 0.09 0.00 0.00 178.44 178.62 3i2j h GLU 61 N 0.00 0.66 -0.48 1.13 5.08 -1.66 -0.87 114.58 118.43 3i2j h GLU 61 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3i2j h GLU 61 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3i2j h GLU 61 CO 0.00 0.44 0.17 0.74 -1.00 0.00 0.00 179.01 179.35 3i2j h PHE 62 N 0.68 0.76 -0.34 4.33 0.04 -1.41 -1.87 116.94 119.13 3i2j h PHE 62 Ca 0.27 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 3i2j h PHE 62 Cb 0.20 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3i2j h PHE 62 CO -0.00 0.66 -0.06 0.28 -0.60 0.00 0.00 178.31 178.59 3i2j h VAL 63 N 0.64 1.27 0.00 -0.55 2.07 -1.35 -0.64 116.25 117.70 3i2j h VAL 63 Ca 0.16 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3i2j h VAL 63 Cb 0.24 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3i2j h VAL 63 CO -0.01 0.36 -0.10 0.03 0.02 0.00 0.00 177.57 177.87 3i2j h ARG 64 N 0.42 0.00 -0.09 1.57 3.08 -1.15 -2.05 114.38 116.16 3i2j h ARG 64 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i2j h ARG 64 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3i2j h ARG 64 CO 0.03 0.10 0.00 -3.47 -1.07 0.00 0.00 179.97 175.56 3i2j n ASP 65 N -4.02 1.54 0.00 7.04 2.03 -0.71 -3.12 116.55 119.31 3i2j n ASP 65 Ca -0.02 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 53.70 3i2j n ASP 65 Cb 0.18 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 3i2j n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i2j n GLY 66 N 1.15 1.05 3.87 0.27 0.00 -0.77 -5.05 105.19 105.71 3i2j n GLY 66 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3i2j n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2j s TYR 67 N -2.00 3.59 0.26 1.61 1.51 -0.29 -4.37 117.35 117.66 3i2j s TYR 67 Ca 0.00 0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 56.61 3i2j s TYR 67 Cb 0.00 -2.11 -0.09 0.00 -0.11 0.00 0.00 41.96 39.65 3i2j s TYR 67 CO 0.00 0.56 0.74 0.00 -1.11 0.00 0.00 175.55 175.74 3i2j s ALA 68 N -1.34 3.37 -0.08 3.71 0.00 -0.58 -3.87 121.76 122.97 3i2j s ALA 68 Ca 0.30 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.45 3i2j s ALA 68 Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3i2j s ALA 68 CO 0.17 0.32 -0.20 0.08 0.00 0.00 0.00 175.76 176.13 3i2j s VAL 69 N -1.68 1.73 -0.17 0.00 1.01 0.01 -0.44 120.40 120.87 3i2j s VAL 69 Ca 0.47 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3i2j s VAL 69 Cb -0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3i2j s VAL 69 CO 0.20 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.98 3i2j s VAL 70 N 0.39 2.94 -0.14 2.92 1.01 0.52 -0.49 120.40 127.57 3i2j s VAL 70 Ca -0.16 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3i2j s VAL 70 Cb -0.17 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3i2j s VAL 70 CO 0.07 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.84 3i2j s ILE 71 N 0.92 2.38 -0.05 2.22 1.01 -0.84 -0.52 121.20 126.33 3i2j s ILE 71 Ca -0.03 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3i2j s ILE 71 Cb -0.15 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3i2j s ILE 71 CO -0.01 0.54 -0.21 -1.58 0.00 0.00 0.00 174.94 173.68 3i2j s GLN 72 N 0.66 2.43 -0.03 2.79 0.74 -0.30 -0.74 119.66 125.21 3i2j s GLN 72 Ca -0.09 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.19 3i2j s GLN 72 Cb -0.16 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.69 3i2j s GLN 72 CO 0.02 0.52 1.15 -0.51 -0.55 0.00 0.00 175.29 175.92 3i2j s ASP 73 N -0.49 7.12 0.81 6.67 1.01 -0.53 -0.97 116.67 130.30 3i2j s ASP 73 Ca 0.06 1.80 -0.13 0.00 0.71 0.00 0.00 52.55 55.00 3i2j s ASP 73 Cb -0.11 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.34 3i2j s ASP 73 CO 0.01 -0.50 1.18 0.42 0.21 0.00 0.00 175.17 176.48 3i2j s THR 74 N 1.81 2.25 0.00 -1.27 -4.23 -0.78 -4.37 115.64 109.05 3i2j s THR 74 Ca 0.55 0.10 -0.38 0.00 -1.18 0.00 0.00 61.69 60.78 3i2j s THR 74 Cb -0.24 -2.44 -0.17 0.00 1.34 0.00 0.00 72.50 70.98 3i2j s THR 74 CO 0.24 -0.09 1.35 -1.14 -0.54 0.00 0.00 174.62 174.44 3i2j n ARG 75 N -3.42 0.90 -0.96 3.99 0.63 -1.26 -2.10 116.66 114.43 3i2j n ARG 75 Ca 0.13 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 3i2j n ARG 75 Cb 0.51 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 31.48 3i2j n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i2j n GLY 76 N 2.60 0.71 3.31 5.14 0.00 -0.21 -3.94 105.19 112.80 3i2j n GLY 76 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3i2j n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2j s LEU 77 N 0.00 2.19 0.00 0.99 1.43 -0.89 -4.38 118.68 118.02 3i2j s LEU 77 Ca 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3i2j s LEU 77 Cb 0.00 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.09 3i2j s LEU 77 CO 0.00 0.20 0.00 0.49 0.23 0.00 0.00 176.35 177.27 3i2j n PHE 78 N 1.65 0.00 1.42 0.29 3.72 -1.26 -1.51 117.46 121.76 3i2j n PHE 78 Ca -0.17 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.37 3i2j n PHE 78 Cb 0.53 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.82 3i2j n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2j n ALA 79 N 11.21 2.47 -1.89 4.37 0.00 -1.26 -4.86 120.51 130.54 3i2j n ALA 79 Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 3i2j n ALA 79 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 3i2j n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i2j s SER 80 N -2.56 6.78 0.85 0.00 0.01 -0.57 -4.39 113.70 113.82 3i2j s SER 80 Ca 0.28 1.56 -0.11 0.00 1.31 0.00 0.00 55.95 59.00 3i2j s SER 80 Cb 0.20 -2.49 0.15 0.00 0.21 0.00 0.00 66.02 64.09 3i2j s SER 80 CO 0.45 -0.43 1.19 -1.61 0.41 0.00 0.00 173.24 173.25 3i2j s GLU 81 N -3.53 1.23 0.46 12.44 2.02 -0.36 -4.21 118.70 126.74 3i2j s GLU 81 Ca 0.59 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.08 3i2j s GLU 81 Cb -0.10 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3i2j s GLU 81 CO 0.22 -1.95 0.00 0.41 0.02 0.00 0.00 175.26 173.96 3i2j n GLY 82 N -3.39 -1.85 3.38 -1.39 0.00 -1.26 -1.04 105.19 99.64 3i2j n GLY 82 Ca 0.13 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 3i2j n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2j s GLU 83 N 0.00 2.27 -0.16 1.61 0.41 -1.26 -4.03 118.70 117.54 3i2j s GLU 83 Ca 0.00 -0.83 -0.19 0.00 -0.41 0.00 0.00 54.97 53.53 3i2j s GLU 83 Cb 0.00 -2.18 -0.03 0.00 -1.78 0.00 0.00 34.13 30.14 3i2j s GLU 83 CO 0.00 0.59 0.54 0.12 -0.49 0.00 0.00 175.26 176.02 3i2j s PHE 84 N -0.66 3.43 -0.03 1.61 5.36 -1.25 -4.42 117.98 122.02 3i2j s PHE 84 Ca 0.11 0.88 -0.00 0.00 -0.96 0.00 0.00 56.93 56.95 3i2j s PHE 84 Cb -0.10 -2.67 0.03 0.00 -0.34 0.00 0.00 43.02 39.94 3i2j s PHE 84 CO -0.00 -0.02 0.03 0.08 -1.46 0.00 0.00 175.22 173.85 3i2j s VAL 85 N 1.31 -0.02 0.33 3.12 1.01 -1.26 -5.06 120.40 119.83 3i2j s VAL 85 Ca 0.27 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 3i2j s VAL 85 Cb -0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 36.38 35.96 3i2j s VAL 85 CO 0.11 0.13 1.43 -2.65 0.00 0.00 0.00 175.10 174.11 3i2j n PRO 86 N 4.50 2.41 0.00 2.72 -0.02 -1.26 -3.85 135.00 139.50 3i2j n PRO 86 Ca -0.21 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3i2j n PRO 86 Cb 0.50 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3i2j n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3i2j n HIS 87 N 0.91 0.00 0.24 6.00 8.25 -1.26 -4.74 115.22 124.61 3i2j n HIS 87 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 3i2j n HIS 87 Cb 0.37 0.00 0.56 0.00 1.12 0.00 0.00 29.99 32.04 3i2j n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3i2j h VAL 88 N 0.00 0.56 -0.01 1.59 -1.51 -1.99 -2.97 116.25 111.92 3i2j h VAL 88 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3i2j h VAL 88 Cb 0.00 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3i2j h VAL 88 CO 0.00 0.19 -0.54 0.47 -1.23 0.00 0.00 177.57 176.45 3i2j n ASP 89 N -3.48 1.14 0.15 4.19 8.00 -1.26 -4.68 116.55 120.61 3i2j n ASP 89 Ca -0.01 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3i2j n ASP 89 Cb 0.36 0.76 0.24 0.00 -0.02 0.00 0.00 41.12 42.45 3i2j n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i2j h ASP 90 N 0.83 0.00 0.04 -2.24 3.32 -1.88 -0.82 116.42 115.68 3i2j h ASP 90 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i2j h ASP 90 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3i2j h ASP 90 CO 0.00 0.53 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.70 3i2j h GLU 91 N 0.00 -0.06 -0.18 3.56 5.08 -1.82 -1.82 114.58 119.34 3i2j h GLU 91 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3i2j h GLU 91 Cb 0.93 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3i2j h GLU 91 CO 0.07 0.15 -0.08 0.00 -1.00 0.00 0.00 179.01 178.15 3i2j h ALA 92 N 0.69 0.25 -0.59 3.43 0.00 -1.85 -2.12 119.26 119.06 3i2j h ALA 92 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3i2j h ALA 92 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3i2j h ALA 92 CO 0.01 0.05 0.28 -0.44 0.00 0.00 0.00 179.25 179.15 3i2j h ASP 93 N 0.05 0.75 -0.32 0.00 3.32 -1.23 -0.88 116.42 118.12 3i2j h ASP 93 Ca 0.04 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3i2j h ASP 93 Cb 0.55 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3i2j h ASP 93 CO 0.02 0.64 -0.09 0.00 -1.72 0.00 0.00 179.24 178.09 3i2j h ALA 94 N 1.48 0.44 -0.43 3.45 0.00 -1.31 -0.31 119.26 122.58 3i2j h ALA 94 Ca 0.20 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i2j h ALA 94 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3i2j h ALA 94 CO -0.03 0.29 0.26 1.49 0.00 0.00 0.00 179.25 181.27 3i2j h GLU 95 N 0.40 0.51 -0.38 0.00 4.81 -0.89 0.20 114.58 119.24 3i2j h GLU 95 Ca 0.08 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3i2j h GLU 95 Cb 0.60 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3i2j h GLU 95 CO 0.03 0.34 -0.21 -0.44 -0.73 0.00 0.00 179.01 178.00 3i2j h ASP 96 N 0.53 0.75 -0.25 1.04 3.32 -1.17 -1.31 116.42 119.33 3i2j h ASP 96 Ca 0.17 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3i2j h ASP 96 Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3i2j h ASP 96 CO -0.07 0.95 -0.07 0.74 -1.72 0.00 0.00 179.24 179.07 3i2j h THR 97 N 0.65 1.28 -0.88 0.35 2.02 -0.70 -1.62 112.91 114.01 3i2j h THR 97 Ca 0.09 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 3i2j h THR 97 Cb 0.71 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3i2j h THR 97 CO 0.05 0.34 0.47 -0.07 0.37 0.00 0.00 175.52 176.69 3i2j h LEU 98 N 0.23 1.10 -0.26 2.58 3.38 -0.54 -1.44 115.31 120.37 3i2j h LEU 98 Ca 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i2j h LEU 98 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3i2j h LEU 98 CO 0.03 0.89 0.11 0.28 0.09 0.00 0.00 178.44 179.83 3i2j h SER 99 N 1.23 0.36 -0.36 -0.43 0.02 -1.17 -2.12 113.55 111.08 3i2j h SER 99 Ca 0.31 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3i2j h SER 99 Cb 0.04 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3i2j h SER 99 CO -0.05 0.41 0.16 -0.25 -1.14 0.00 0.00 176.83 175.97 3i2j h TRP 100 N 0.27 0.30 -0.47 3.45 7.01 -1.06 -2.57 115.95 122.89 3i2j h TRP 100 Ca 0.09 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.13 3i2j h TRP 100 Cb 0.17 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 3i2j h TRP 100 CO -0.01 0.15 0.25 0.82 -2.79 0.00 0.00 178.44 176.87 3i2j h ILE 101 N 0.34 1.00 0.00 2.65 2.04 -1.15 -2.31 117.51 120.09 3i2j h ILE 101 Ca 0.15 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3i2j h ILE 101 Cb 0.08 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3i2j h ILE 101 CO -0.12 0.09 -0.02 -0.07 0.00 0.00 0.00 178.15 178.03 3i2j h LEU 102 N 0.51 0.00 0.00 1.44 3.38 -1.17 -1.72 115.31 117.74 3i2j h LEU 102 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3i2j h LEU 102 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i2j h LEU 102 CO -0.12 0.02 -0.24 -0.33 0.09 0.00 0.00 178.44 177.86 3i2j h GLU 103 N 0.00 0.00 -7.03 1.13 5.08 -1.01 -3.45 114.58 109.30 3i2j h GLU 103 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3i2j h GLU 103 Cb 0.05 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.36 3i2j h GLU 103 CO 0.00 0.00 0.44 -0.65 -1.00 0.00 0.00 179.01 177.81 3i2j s GLN 104 N -3.21 3.72 0.46 2.33 -1.52 -0.65 -4.92 119.66 115.87 3i2j s GLN 104 Ca 0.06 1.63 0.22 0.00 -1.95 0.00 0.00 55.36 55.32 3i2j s GLN 104 Cb 0.08 -2.27 1.22 0.00 -0.22 0.00 0.00 33.01 31.82 3i2j s GLN 104 CO 0.68 -0.55 1.86 0.00 -0.25 0.00 0.00 175.29 177.03 3i2j h ALA 105 N 1.82 2.42 -0.01 6.09 0.00 -1.92 -2.52 119.26 125.14 3i2j h ALA 105 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i2j h ALA 105 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i2j h ALA 105 CO 0.59 -0.71 -0.14 -2.67 0.00 0.00 0.00 179.25 176.32 3i2j n TRP 106 N -4.44 0.00 -3.72 0.00 4.27 -1.26 -4.39 117.44 107.90 3i2j n TRP 106 Ca 0.20 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.45 3i2j n TRP 106 Cb 0.81 -0.05 -0.09 0.00 -1.36 0.00 0.00 31.31 30.62 3i2j n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i2j n ASP 108 N 3.95 1.44 0.00 0.00 5.68 -0.29 -4.70 116.55 122.64 3i2j n ASP 108 Ca -0.16 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 3i2j n ASP 108 Cb 0.52 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3i2j n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i2j n GLY 109 N 0.92 0.68 3.10 6.12 0.00 -1.26 -4.99 105.19 109.76 3i2j n GLY 109 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3i2j n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2j s ASN 110 N -2.74 3.38 0.00 1.61 0.01 -1.26 -4.61 114.94 111.33 3i2j s ASN 110 Ca 0.00 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.42 3i2j s ASN 110 Cb 0.00 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.17 3i2j s ASN 110 CO 0.00 -0.05 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.62 3i2j s VAL 111 N 1.27 1.84 0.35 1.60 1.01 0.05 -1.26 120.40 125.26 3i2j s VAL 111 Ca 0.02 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.94 3i2j s VAL 111 Cb -0.15 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3i2j s VAL 111 CO -0.11 0.43 0.11 -0.83 0.00 0.00 0.00 175.10 174.70 3i2j s GLY 112 N -0.78 2.28 0.10 4.51 0.00 0.43 -0.80 107.32 113.07 3i2j s GLY 112 Ca 0.09 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.22 3i2j s GLY 112 CO 0.00 -1.76 -0.08 1.06 0.00 0.00 0.00 173.10 172.33 3i2j s MET 113 N -3.81 0.86 0.24 2.90 -1.94 -0.94 -0.46 119.30 116.15 3i2j s MET 113 Ca 0.31 -1.30 -0.17 0.00 -1.71 0.00 0.00 55.69 52.82 3i2j s MET 113 Cb 0.05 -0.33 0.01 0.00 2.01 0.00 0.00 34.83 36.57 3i2j s MET 113 CO 0.15 0.02 0.57 -0.59 -0.01 0.00 0.00 175.02 175.16 3i2j s PHE 114 N -3.27 0.05 0.00 -0.03 -0.71 -1.21 -1.59 117.98 111.22 3i2j s PHE 114 Ca 0.10 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 3i2j s PHE 114 Cb 0.03 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 3i2j s PHE 114 CO -0.03 -1.05 0.00 0.41 -1.34 0.00 0.00 175.22 173.21 3i2j n GLY 115 N -0.39 2.98 3.42 1.99 0.00 -1.21 -4.61 105.19 107.37 3i2j n GLY 115 Ca -0.05 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 3i2j n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2j s VAL 116 N -2.03 2.46 0.00 1.61 0.11 -1.26 -2.00 120.40 119.29 3i2j s VAL 116 Ca 0.00 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 3i2j s VAL 116 Cb 0.00 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 3i2j s VAL 116 CO 0.00 0.16 0.00 -0.24 -3.33 0.00 0.00 175.10 171.69 3i2j n SER 117 N 1.07 0.00 0.21 3.54 2.88 0.04 -0.65 113.62 120.71 3i2j n SER 117 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3i2j n SER 117 Cb 0.53 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.60 3i2j n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3i2j h TYR 118 N 0.00 0.08 0.00 0.66 5.03 -1.89 0.84 116.97 121.69 3i2j h TYR 118 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3i2j h TYR 118 Cb 0.00 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.25 3i2j h TYR 118 CO 0.00 0.05 0.00 1.28 -1.32 0.00 0.00 178.16 178.17 3i2j n LEU 119 N -4.52 0.00 -0.13 2.82 4.32 0.17 -2.67 117.00 116.99 3i2j n LEU 119 Ca -0.01 0.34 -0.23 0.00 -0.02 0.00 0.00 56.01 56.08 3i2j n LEU 119 Cb 0.11 -0.34 -0.11 0.00 -1.62 0.00 0.00 43.42 41.46 3i2j n LEU 119 CO 0.34 -0.07 -1.36 0.61 -1.22 0.00 0.00 177.39 175.69 3i2j n GLY 120 N 0.76 -0.41 0.36 -0.72 0.00 0.15 -4.24 105.19 101.08 3i2j n GLY 120 Ca 0.10 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3i2j n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2j h VAL 121 N -0.41 1.08 0.00 1.61 2.07 -1.16 -1.56 116.25 117.87 3i2j h VAL 121 Ca -0.62 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3i2j h VAL 121 Cb 1.78 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3i2j h VAL 121 CO -0.22 0.17 0.00 0.71 0.02 0.00 0.00 177.57 178.25 3i2j h THR 122 N 0.94 0.00 -0.03 2.57 1.35 -1.74 -2.76 112.91 113.24 3i2j h THR 122 Ca 0.34 -0.33 -0.24 0.00 -0.55 0.00 0.00 66.41 65.63 3i2j h THR 122 Cb 0.15 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3i2j h THR 122 CO -0.11 0.00 -0.94 1.56 -0.25 0.00 0.00 175.52 175.78 3i2j h GLN 123 N 0.00 0.59 -0.52 4.72 4.20 -1.48 -1.45 115.11 121.18 3i2j h GLN 123 Ca 0.00 -0.59 -0.11 0.00 0.06 0.00 0.00 58.65 58.01 3i2j h GLN 123 Cb 0.35 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3i2j h GLN 123 CO 0.00 1.21 -0.12 -1.49 -0.67 0.00 0.00 178.83 177.76 3i2j h TRP 124 N 0.35 1.09 -0.99 2.96 4.06 -1.51 -0.25 115.95 121.66 3i2j h TRP 124 Ca -0.09 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.64 3i2j h TRP 124 Cb 1.57 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 29.41 3i2j h TRP 124 CO 0.08 1.02 0.64 1.96 -3.56 0.00 0.00 178.44 178.58 3i2j h GLN 125 N 0.87 1.32 -0.42 0.49 4.20 -1.50 -2.48 115.11 117.58 3i2j h GLN 125 Ca 0.13 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 3i2j h GLN 125 Cb 0.67 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3i2j h GLN 125 CO 0.05 0.89 -0.30 0.00 -0.67 0.00 0.00 178.83 178.80 3i2j h ALA 126 N 1.35 0.61 -0.01 3.87 0.00 -1.02 -3.29 119.26 120.77 3i2j h ALA 126 Ca 0.36 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i2j h ALA 126 Cb -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i2j h ALA 126 CO -0.07 0.65 -0.28 0.00 0.00 0.00 0.00 179.25 179.54 3i2j h ALA 127 N 0.81 1.51 -0.00 0.00 0.00 -0.66 -2.59 119.26 118.33 3i2j h ALA 127 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i2j h ALA 127 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i2j h ALA 127 CO 0.08 0.37 -0.02 1.33 0.00 0.00 0.00 179.25 181.01 3i2j n VAL 128 N -4.19 0.00 0.33 0.00 0.24 -0.97 -3.83 118.33 109.91 3i2j n VAL 128 Ca -0.02 -0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.40 3i2j n VAL 128 Cb 0.34 -0.38 0.46 0.00 -1.47 0.00 0.00 33.84 32.80 3i2j n VAL 128 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i2j h SER 129 N 0.23 0.00 0.00 -1.34 4.64 -1.58 -3.47 113.55 112.03 3i2j h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i2j h SER 129 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3i2j h SER 129 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3i2j n GLY 130 N 0.52 0.47 3.60 -0.77 0.00 -1.25 -4.99 105.19 102.76 3i2j n GLY 130 Ca 0.03 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3i2j n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2j s VAL 131 N -2.00 3.61 0.47 1.61 1.01 -1.26 -4.88 120.40 118.96 3i2j s VAL 131 Ca 0.00 0.61 0.17 0.00 0.00 0.00 0.00 61.98 62.77 3i2j s VAL 131 Cb 0.00 -3.85 0.34 0.00 0.00 0.00 0.00 36.38 32.87 3i2j s VAL 131 CO 0.00 -0.55 2.00 1.23 0.00 0.00 0.00 175.10 177.78 3i2j h GLY 132 N 13.28 0.35 2.00 4.51 0.00 -1.99 -2.11 103.07 119.10 3i2j h GLY 132 Ca -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3i2j h GLY 132 CO 1.06 0.06 0.00 0.61 0.00 0.00 0.00 176.54 178.27 3i2j n GLY 133 N -1.56 -1.28 3.58 4.60 0.00 -1.26 -4.52 105.19 104.75 3i2j n GLY 133 Ca 0.08 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3i2j n GLY 133 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i2j s LEU 134 N -4.07 3.42 0.02 0.99 2.96 -0.80 -0.77 118.68 120.44 3i2j s LEU 134 Ca 0.06 0.10 0.22 0.00 -0.22 0.00 0.00 54.13 54.29 3i2j s LEU 134 Cb 0.10 -3.11 -0.16 0.00 0.50 0.00 0.00 46.19 43.52 3i2j s LEU 134 CO 0.40 -1.55 0.78 0.29 -1.32 0.00 0.00 176.35 174.96 3i2j n LYS 135 N 8.55 0.42 -3.58 1.98 4.76 0.02 -4.97 118.16 125.35 3i2j n LYS 135 Ca 0.09 -0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 3i2j n LYS 135 Cb 0.49 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 32.06 3i2j n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i2j s ALA 136 N -3.31 -1.95 0.21 7.82 0.00 -1.25 -4.21 121.76 119.07 3i2j s ALA 136 Ca -0.01 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.57 3i2j s ALA 136 Cb 0.14 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3i2j s ALA 136 CO 0.86 -0.34 -0.03 0.96 0.00 0.00 0.00 175.76 177.21 3i2j s ILE 137 N -1.29 1.04 -0.41 0.00 -4.36 -0.65 -2.22 121.20 113.32 3i2j s ILE 137 Ca 0.00 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.43 3i2j s ILE 137 Cb -0.01 -2.21 0.24 0.00 1.25 0.00 0.00 42.46 41.73 3i2j s ILE 137 CO -0.00 -0.44 0.56 0.00 0.24 0.00 0.00 174.94 175.30 3i2j n ALA 138 N -0.35 1.83 -2.66 2.27 0.00 -0.62 -1.23 120.51 119.75 3i2j n ALA 138 Ca -0.06 -3.02 -0.43 0.00 0.00 0.00 0.00 53.44 49.93 3i2j n ALA 138 Cb 0.63 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 3i2j n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i2j s PRO 139 N -0.72 4.28 -0.17 0.00 0.04 -1.13 -3.33 135.00 133.98 3i2j s PRO 139 Ca 0.34 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 3i2j s PRO 139 Cb 0.16 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 3i2j s PRO 139 CO -0.14 -0.56 0.02 0.45 0.04 0.00 0.00 177.00 176.82 3i2j s SER 140 N 1.20 5.33 -1.31 6.66 0.15 -0.84 -2.50 113.70 122.38 3i2j s SER 140 Ca 0.43 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 57.07 3i2j s SER 140 Cb -0.16 -1.88 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 3i2j s SER 140 CO 0.08 0.19 0.62 0.23 1.20 0.00 0.00 173.24 175.56 3i2j n MET 141 N 3.43 -3.84 -4.67 5.44 2.81 0.40 -0.78 117.12 119.91 3i2j n MET 141 Ca -0.17 0.53 -0.30 0.00 -1.81 0.00 0.00 57.70 55.95 3i2j n MET 141 Cb 0.52 -4.84 -0.09 0.00 -0.71 0.00 0.00 33.22 28.10 3i2j n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i2j s ALA 142 N -3.74 3.55 -0.01 3.04 0.00 -1.26 -3.53 121.76 119.81 3i2j s ALA 142 Ca 0.07 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 3i2j s ALA 142 Cb -0.02 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3i2j s ALA 142 CO 0.84 -0.10 0.15 0.45 0.00 0.00 0.00 175.76 177.10 3i2j s SER 143 N -3.77 -0.01 0.00 0.00 0.15 -1.26 -2.72 113.70 106.09 3i2j s SER 143 Ca 0.21 -0.12 0.12 0.00 0.70 0.00 0.00 55.95 56.86 3i2j s SER 143 Cb 0.06 0.23 0.23 0.00 -1.71 0.00 0.00 66.02 64.82 3i2j s SER 143 CO 0.11 -0.33 1.10 0.00 1.20 0.00 0.00 173.24 175.31 3i2j n ALA 144 N 1.66 2.33 -3.55 5.45 0.00 -1.26 -4.63 120.51 120.51 3i2j n ALA 144 Ca -0.21 -0.90 -0.29 0.00 0.00 0.00 0.00 53.44 52.04 3i2j n ALA 144 Cb 0.56 -0.45 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 3i2j n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i2j s ASP 145 N -1.01 3.54 0.42 0.00 -1.08 -1.26 -0.62 116.67 116.65 3i2j s ASP 145 Ca 0.20 -1.35 0.15 0.00 -0.52 0.00 0.00 52.55 51.04 3i2j s ASP 145 Cb 0.12 -0.38 0.91 0.00 -1.46 0.00 0.00 42.92 42.11 3i2j s ASP 145 CO 0.16 -0.43 1.91 -0.07 0.52 0.00 0.00 175.17 177.27 3i2j h LEU 146 N 8.33 0.00 0.08 -1.34 -0.00 -1.87 -0.80 115.31 119.72 3i2j h LEU 146 Ca -0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 3i2j h LEU 146 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 3i2j h LEU 146 CO 0.43 0.27 -0.04 0.22 -0.00 0.00 0.00 178.44 179.33 3i2j h TYR 147 N 0.00 -0.11 -0.01 1.13 5.03 -1.96 -2.85 116.97 118.21 3i2j h TYR 147 Ca -0.00 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 3i2j h TYR 147 Cb 0.50 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 3i2j h TYR 147 CO 0.00 0.08 -0.47 0.00 -1.32 0.00 0.00 178.16 176.45 3i2j h ARG 148 N -0.27 0.02 -1.88 1.82 3.08 -1.67 0.22 114.38 115.69 3i2j h ARG 148 Ca -0.01 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i2j h ARG 148 Cb 0.23 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.05 3i2j h ARG 148 CO 0.02 0.48 0.18 0.00 -1.07 0.00 0.00 179.97 179.58 3i2j s ALA 149 N -3.97 -1.89 -2.81 0.04 0.00 -0.37 -3.82 121.76 108.94 3i2j s ALA 149 Ca -0.02 2.13 0.24 0.00 0.00 0.00 0.00 51.96 54.31 3i2j s ALA 149 Cb 0.14 -1.35 0.35 0.00 0.00 0.00 0.00 23.12 22.26 3i2j s ALA 149 CO 0.74 -0.33 1.35 -0.35 0.00 0.00 0.00 175.76 177.17 3i2j n PRO 150 N 3.16 2.28 0.03 0.00 -0.04 -1.21 -3.84 135.00 135.39 3i2j n PRO 150 Ca -0.16 -1.88 -0.22 0.00 -0.04 0.00 0.00 63.50 61.20 3i2j n PRO 150 Cb 0.57 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 3i2j n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i2j h TRP 151 N 4.34 0.53 0.00 0.54 -0.00 -1.65 -3.43 115.95 116.29 3i2j h TRP 151 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 58.89 58.50 3i2j h TRP 151 Cb 0.93 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.07 3i2j h TRP 151 CO 0.06 1.60 0.00 0.66 -0.00 0.00 0.00 178.44 180.76 3i2j n TYR 152 N -3.80 0.00 0.00 0.49 4.02 -0.01 -0.52 117.16 117.33 3i2j n TYR 152 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 3i2j n TYR 152 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 3i2j n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2j n GLY 153 N 5.00 0.52 0.23 2.72 0.00 -0.74 -4.25 105.19 108.67 3i2j n GLY 153 Ca 0.00 -1.02 0.16 0.00 0.00 0.00 0.00 46.02 45.16 3i2j n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2j h PRO 154 N 0.00 0.00 -0.01 1.61 0.13 -1.88 -2.65 132.00 129.20 3i2j h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i2j h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i2j h PRO 154 CO 0.00 0.00 -0.42 0.41 -0.23 0.00 0.00 178.00 177.76 3i2j n GLY 155 N -0.78 -0.31 1.79 1.56 0.00 -1.25 -4.95 105.19 101.26 3i2j n GLY 155 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3i2j n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2j n GLY 156 N 1.39 0.47 3.72 -0.02 0.00 -1.00 -0.98 105.19 108.77 3i2j n GLY 156 Ca 0.10 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 3i2j n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2j s ALA 157 N -2.00 3.40 0.10 4.61 0.00 -1.26 -4.78 121.76 121.82 3i2j s ALA 157 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 3i2j s ALA 157 Cb 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.61 3i2j s ALA 157 CO 0.00 0.66 1.31 -1.17 0.00 0.00 0.00 175.76 176.56 3i2j s LEU 158 N -1.59 4.37 -1.31 0.00 2.96 -1.26 -3.71 118.68 118.14 3i2j s LEU 158 Ca 0.20 2.20 -0.17 0.00 -0.22 0.00 0.00 54.13 56.15 3i2j s LEU 158 Cb -0.12 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.06 3i2j s LEU 158 CO 0.11 -0.57 1.78 -1.20 -1.32 0.00 0.00 176.35 175.14 3i2j n SER 159 N 3.89 4.84 -0.25 3.68 7.64 0.32 -0.94 113.62 132.80 3i2j n SER 159 Ca 0.10 -2.92 -0.07 0.00 1.01 0.00 0.00 58.87 57.00 3i2j n SER 159 Cb 0.44 -1.73 0.04 0.00 -1.01 0.00 0.00 64.21 61.96 3i2j n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3i2j h VAL 160 N 5.33 1.25 -0.51 0.44 3.04 -1.67 -2.12 116.25 122.01 3i2j h VAL 160 Ca 0.45 -0.83 -0.06 0.00 -1.01 0.00 0.00 66.70 65.25 3i2j h VAL 160 Cb 0.84 0.50 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 3i2j h VAL 160 CO 1.49 0.33 0.06 1.05 -1.01 0.00 0.00 177.57 179.49 3i2j h GLU 161 N 0.99 0.82 -0.06 4.17 -0.00 -1.63 -1.27 114.58 117.60 3i2j h GLU 161 Ca 0.23 -0.19 -0.00 0.00 -0.00 0.00 0.00 59.36 59.39 3i2j h GLU 161 Cb 0.26 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 28.90 3i2j h GLU 161 CO -0.01 0.78 0.03 0.00 -0.00 0.00 0.00 179.01 179.81 3i2j h ALA 162 N 1.29 0.07 -0.00 1.06 0.00 -1.76 -1.24 119.26 118.69 3i2j h ALA 162 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i2j h ALA 162 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i2j h ALA 162 CO 0.01 -0.40 0.00 1.25 0.00 0.00 0.00 179.25 180.11 3i2j h LEU 163 N 0.02 0.00 -0.36 0.00 5.85 -1.01 -1.47 115.31 118.34 3i2j h LEU 163 Ca 0.02 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3i2j h LEU 163 Cb 0.06 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3i2j h LEU 163 CO -0.00 0.07 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.70 3i2j h LEU 164 N -0.07 0.98 -0.18 2.25 3.38 -1.24 -1.81 115.31 118.61 3i2j h LEU 164 Ca 0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3i2j h LEU 164 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3i2j h LEU 164 CO -0.00 1.25 0.06 1.23 0.09 0.00 0.00 178.44 181.07 3i2j h GLY 165 N 0.72 0.30 0.95 0.83 0.00 -1.21 -1.39 103.07 103.27 3i2j h GLY 165 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3i2j h GLY 165 CO 0.10 0.17 0.14 -0.25 0.00 0.00 0.00 176.54 176.69 3i2j h TRP 166 N 0.12 0.68 -0.75 5.60 7.01 -1.28 -0.82 115.95 126.51 3i2j h TRP 166 Ca 0.06 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.03 3i2j h TRP 166 Cb 0.23 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.04 3i2j h TRP 166 CO 0.00 0.62 0.46 0.77 -2.79 0.00 0.00 178.44 177.50 3i2j h SER 167 N 0.54 0.74 -0.62 2.65 0.02 -1.29 0.75 113.55 116.34 3i2j h SER 167 Ca 0.14 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3i2j h SER 167 Cb 0.26 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3i2j h SER 167 CO -0.00 0.50 0.03 0.00 -1.14 0.00 0.00 176.83 176.21 3i2j h ALA 168 N 1.34 0.86 -0.00 3.77 0.00 -1.00 0.26 119.26 124.48 3i2j h ALA 168 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i2j h ALA 168 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i2j h ALA 168 CO -0.14 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.04 3i2j h LEU 169 N 1.00 0.00 -0.72 0.00 5.85 -0.55 -1.79 115.31 119.10 3i2j h LEU 169 Ca 0.18 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3i2j h LEU 169 Cb 0.53 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3i2j h LEU 169 CO 0.03 0.16 -0.03 0.40 -0.34 0.00 0.00 178.44 178.66 3i2j h ILE 170 N -0.16 1.26 -0.61 4.05 1.08 -0.82 -2.64 117.51 119.66 3i2j h ILE 170 Ca 0.00 -1.14 0.11 0.00 -0.39 0.00 0.00 64.86 63.44 3i2j h ILE 170 Cb 0.16 0.88 -0.08 0.00 -3.07 0.00 0.00 36.82 34.71 3i2j h ILE 170 CO -0.00 0.41 0.18 1.23 -0.69 0.00 0.00 178.15 179.28 3i2j h GLY 171 N 0.99 0.83 0.84 5.37 0.00 -0.42 0.20 103.07 110.88 3i2j h GLY 171 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.45 3i2j h GLY 171 CO 0.03 -0.08 0.51 -0.84 0.00 0.00 0.00 176.54 176.17 3i2j h THR 172 N 0.33 1.10 -0.54 4.70 2.02 -1.03 -1.97 112.91 117.53 3i2j h THR 172 Ca 0.32 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3i2j h THR 172 Cb 0.45 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3i2j h THR 172 CO -0.36 0.18 0.20 1.23 0.37 0.00 0.00 175.52 177.14 3i2j h GLY 173 N 0.98 0.87 1.25 2.16 0.00 -0.90 -2.58 103.07 104.86 3i2j h GLY 173 Ca 0.33 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3i2j h GLY 173 CO -0.13 0.46 0.36 1.41 0.00 0.00 0.00 176.54 178.64 3i2j h LEU 174 N 0.73 0.88 0.05 3.11 3.38 -0.23 -0.11 115.31 123.12 3i2j h LEU 174 Ca 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i2j h LEU 174 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i2j h LEU 174 CO -0.01 0.73 -0.02 0.40 0.09 0.00 0.00 178.44 179.62 3i2j h ILE 175 N 0.98 1.24 -0.89 1.22 2.04 -1.34 -3.15 117.51 117.61 3i2j h ILE 175 Ca 0.24 -0.96 0.14 0.00 1.00 0.00 0.00 64.86 65.29 3i2j h ILE 175 Cb 0.07 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3i2j h ILE 175 CO -0.04 0.24 0.57 0.74 0.00 0.00 0.00 178.15 179.67 3i2j h THR 176 N -0.49 0.84 0.00 -0.27 2.02 -1.24 -2.46 112.91 111.30 3i2j h THR 176 Ca -0.01 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3i2j h THR 176 Cb 0.44 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3i2j h THR 176 CO 0.01 0.13 0.00 -1.20 0.37 0.00 0.00 175.52 174.83 3i2j n SER 177 N -4.56 0.50 -4.73 4.18 7.64 -0.07 -4.81 113.62 111.77 3i2j n SER 177 Ca 0.17 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.24 3i2j n SER 177 Cb 0.47 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 3i2j n SER 177 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i2j s ARG 178 N -3.20 4.19 0.07 1.43 0.52 -0.93 -4.64 118.95 116.39 3i2j s ARG 178 Ca 0.06 2.44 -0.26 0.00 -0.52 0.00 0.00 55.73 57.46 3i2j s ARG 178 Cb 0.10 -3.10 -0.16 0.00 0.52 0.00 0.00 34.95 32.31 3i2j s ARG 178 CO 0.40 -0.59 1.65 0.77 0.02 0.00 0.00 175.30 177.56 3i2j h SER 179 N 5.82 -0.22 -3.56 0.23 0.02 -1.90 -3.41 113.55 110.53 3i2j h SER 179 Ca -0.45 -0.03 -0.65 0.00 -0.84 0.00 0.00 61.79 59.82 3i2j h SER 179 Cb 1.21 0.06 -0.24 0.00 0.14 0.00 0.00 62.40 63.57 3i2j h SER 179 CO 0.85 -0.11 -0.65 -1.81 -1.14 0.00 0.00 176.83 173.97 3i2j s ASP 180 N -5.01 4.88 0.32 3.07 -0.00 -1.26 -5.09 116.67 113.58 3i2j s ASP 180 Ca -0.14 -0.26 -0.29 0.00 -0.00 0.00 0.00 52.55 51.85 3i2j s ASP 180 Cb 0.05 -1.87 -0.12 0.00 -0.00 0.00 0.00 42.92 40.99 3i2j s ASP 180 CO 0.64 -0.03 1.51 0.00 -0.00 0.00 0.00 175.17 177.30 3i2j n ALA 181 N 4.85 2.25 -2.77 5.23 0.00 -1.26 -5.04 120.51 123.77 3i2j n ALA 181 Ca -0.17 0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 3i2j n ALA 181 Cb 0.51 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 3i2j n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i2j s ARG 182 N -1.20 2.82 0.49 0.00 0.52 -1.26 -5.03 118.95 115.29 3i2j s ARG 182 Ca 0.60 -0.88 0.16 0.00 -0.52 0.00 0.00 55.73 55.09 3i2j s ARG 182 Cb -0.51 -2.61 1.17 0.00 0.52 0.00 0.00 34.95 33.52 3i2j s ARG 182 CO 0.55 0.49 2.08 -1.35 0.02 0.00 0.00 175.30 177.10 3i2j h PRO 183 N 2.59 0.00 -0.00 3.54 0.11 -2.06 -2.48 132.00 133.69 3i2j h PRO 183 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i2j h PRO 183 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i2j h PRO 183 CO 0.63 0.09 -0.14 -0.85 -0.21 0.00 0.00 178.00 177.51 3i2j n GLU 184 N -4.39 0.71 -0.11 1.05 0.00 -1.26 -4.22 120.64 112.42 3i2j n GLU 184 Ca -0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 57.16 56.78 3i2j n GLU 184 Cb 0.16 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.12 3i2j n GLU 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i2j h ASP 185 N 0.69 0.28 -0.32 -1.84 3.32 -1.85 -1.54 116.42 115.15 3i2j h ASP 185 Ca 0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3i2j h ASP 185 Cb 0.39 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3i2j h ASP 185 CO 0.00 0.20 0.11 0.00 -1.72 0.00 0.00 179.24 177.83 3i2j h ALA 186 N 1.18 0.37 -0.28 3.45 0.00 -1.78 -1.15 119.26 121.04 3i2j h ALA 186 Ca 0.15 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3i2j h ALA 186 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i2j h ALA 186 CO -0.10 -0.29 -0.30 0.00 0.00 0.00 0.00 179.25 178.57 3i2j h ALA 187 N 1.20 0.96 -0.79 0.00 0.00 -1.80 -2.78 119.26 116.04 3i2j h ALA 187 Ca 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3i2j h ALA 187 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3i2j h ALA 187 CO -0.15 0.61 0.40 -0.44 0.00 0.00 0.00 179.25 179.67 3i2j h ASP 188 N 0.50 1.02 -0.39 0.00 3.32 -0.81 -1.98 116.42 118.08 3i2j h ASP 188 Ca 0.06 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3i2j h ASP 188 Cb 0.77 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3i2j h ASP 188 CO 0.06 0.85 0.22 -0.26 -1.72 0.00 0.00 179.24 178.39 3i2j h PHE 189 N 1.12 0.53 -0.48 4.55 0.04 -1.07 -0.43 116.94 121.19 3i2j h PHE 189 Ca 0.28 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.10 3i2j h PHE 189 Cb 0.09 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 3i2j h PHE 189 CO 0.01 0.40 0.18 0.28 -0.60 0.00 0.00 178.31 178.57 3i2j h VAL 190 N 0.50 0.84 -0.46 -0.55 2.07 -1.28 -0.39 116.25 116.98 3i2j h VAL 190 Ca 0.14 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3i2j h VAL 190 Cb 0.04 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3i2j h VAL 190 CO -0.02 0.06 -0.13 1.56 0.02 0.00 0.00 177.57 179.06 3i2j h GLN 191 N 0.35 0.86 -0.61 1.57 4.20 -1.05 -0.69 115.11 119.74 3i2j h GLN 191 Ca 0.23 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3i2j h GLN 191 Cb 0.23 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3i2j h GLN 191 CO -0.23 0.94 0.09 -0.07 -0.67 0.00 0.00 178.83 178.89 3i2j h LEU 192 N 0.77 0.98 -1.13 1.46 3.38 -0.85 -2.04 115.31 117.88 3i2j h LEU 192 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3i2j h LEU 192 Cb 0.65 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3i2j h LEU 192 CO 0.05 1.00 0.25 0.00 0.09 0.00 0.00 178.44 179.82 3i2j h ALA 193 N 1.02 1.32 -0.41 1.53 0.00 -0.80 -1.74 119.26 120.18 3i2j h ALA 193 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3i2j h ALA 193 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i2j h ALA 193 CO 0.01 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 3i2j h ALA 194 N 1.43 1.15 -0.07 0.00 0.00 -0.74 -0.54 119.26 120.48 3i2j h ALA 194 Ca 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i2j h ALA 194 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i2j h ALA 194 CO -0.02 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.58 3i2j h ILE 195 N 0.64 1.28 -0.01 0.00 2.04 -0.99 -2.99 117.51 117.47 3i2j h ILE 195 Ca 0.12 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3i2j h ILE 195 Cb 0.47 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3i2j h ILE 195 CO 0.02 0.24 -0.22 -0.07 0.00 0.00 0.00 178.15 178.13 3i2j h LEU 196 N -0.18 0.02 -0.08 1.44 3.38 -1.08 -1.59 115.31 117.23 3i2j h LEU 196 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i2j h LEU 196 Cb 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3i2j h LEU 196 CO 0.01 0.24 0.00 0.59 0.09 0.00 0.00 178.44 179.37 3i2j n ASN 197 N -4.27 0.33 -2.80 -0.43 3.02 -0.23 -4.45 115.26 106.43 3i2j n ASN 197 Ca -0.02 0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 54.97 3i2j n ASN 197 Cb 0.28 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 38.87 3i2j n ASN 197 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i2j n ASP 198 N -1.82 -2.35 -0.07 6.41 2.03 -0.66 -5.01 116.55 115.08 3i2j n ASP 198 Ca 0.06 -3.36 -0.07 0.00 0.52 0.00 0.00 54.79 51.93 3i2j n ASP 198 Cb 0.33 1.57 0.10 0.00 -0.72 0.00 0.00 41.12 42.40 3i2j n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i2j h VAL 199 N 2.84 1.27 -0.84 5.18 2.07 -1.61 -1.88 116.25 123.27 3i2j h VAL 199 Ca -0.11 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 3i2j h VAL 199 Cb 1.04 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3i2j h VAL 199 CO 0.29 0.44 0.38 0.00 0.02 0.00 0.00 177.57 178.70 3i2j h ALA 200 N 1.10 1.09 -0.13 1.67 0.00 -1.95 0.32 119.26 121.35 3i2j h ALA 200 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i2j h ALA 200 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i2j h ALA 200 CO 0.06 0.67 0.09 0.78 0.00 0.00 0.00 179.25 180.85 3i2j h GLY 201 N 1.20 0.19 0.84 0.00 0.00 -1.87 -1.74 103.07 101.69 3i2j h GLY 201 Ca 0.28 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.58 3i2j h GLY 201 CO -0.03 0.07 0.59 0.00 0.00 0.00 0.00 176.54 177.17 3i2j h ALA 202 N 1.03 1.23 0.00 3.60 0.00 -1.05 -1.92 119.26 122.15 3i2j h ALA 202 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i2j h ALA 202 Cb -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3i2j h ALA 202 CO -0.01 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3i2j h ALA 203 N 1.39 1.00 0.00 0.00 0.00 -0.74 -3.23 119.26 117.68 3i2j h ALA 203 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3i2j h ALA 203 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i2j h ALA 203 CO -0.13 0.00 -0.30 0.77 0.00 0.00 0.00 179.25 179.58 3i2j h SER 204 N 0.00 0.00 -3.19 0.00 0.02 -0.48 -3.47 113.55 106.43 3i2j h SER 204 Ca 0.00 -0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.35 3i2j h SER 204 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.02 3i2j h SER 204 CO 0.00 0.03 0.59 -0.69 -1.14 0.00 0.00 176.83 175.62 3i2j s VAL 205 N -3.17 3.83 -0.03 2.27 1.01 -1.22 -5.02 120.40 118.07 3i2j s VAL 205 Ca 0.07 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.46 3i2j s VAL 205 Cb 0.11 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3i2j s VAL 205 CO 0.67 0.12 -0.24 0.42 0.00 0.00 0.00 175.10 176.07 3i2j s THR 206 N 0.91 2.19 0.40 3.92 -4.23 -1.26 -3.14 115.64 114.43 3i2j s THR 206 Ca 0.59 -1.05 -0.25 0.00 -1.18 0.00 0.00 61.69 59.80 3i2j s THR 206 Cb -0.31 -1.77 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 3i2j s THR 206 CO 0.30 0.58 1.19 -2.84 -0.54 0.00 0.00 174.62 173.31 3i2j s PRO 207 N -0.56 4.04 0.38 3.99 0.02 -1.26 -4.80 135.00 136.80 3i2j s PRO 207 Ca 0.08 1.89 0.07 0.00 0.02 0.00 0.00 61.00 63.06 3i2j s PRO 207 Cb -0.11 -2.69 0.78 0.00 0.02 0.00 0.00 34.50 32.51 3i2j s PRO 207 CO -0.00 -0.35 1.98 1.25 -0.33 0.00 0.00 177.00 179.56 3i2j h LEU 208 N 2.64 0.61 0.00 -5.54 5.85 -1.37 -2.57 115.31 114.93 3i2j h LEU 208 Ca -0.49 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3i2j h LEU 208 Cb 1.24 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3i2j h LEU 208 CO 0.62 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 179.13 3i2j n ALA 209 N -2.46 1.70 -2.96 1.25 0.00 -0.21 -4.46 120.51 113.38 3i2j n ALA 209 Ca 0.09 -0.05 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 3i2j n ALA 209 Cb 0.19 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3i2j n ALA 209 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i2j s GLU 210 N -2.95 3.08 -0.48 0.00 2.02 -0.97 -4.96 118.70 114.43 3i2j s GLU 210 Ca 0.08 -1.12 0.03 0.00 0.02 0.00 0.00 54.97 53.98 3i2j s GLU 210 Cb 0.10 -4.20 0.15 0.00 0.10 0.00 0.00 34.13 30.27 3i2j s GLU 210 CO 0.27 -1.44 0.31 -0.65 0.02 0.00 0.00 175.26 173.76 3i2j s GLN 211 N 2.77 1.44 0.10 1.61 -1.52 -1.26 -4.94 119.66 117.85 3i2j s GLN 211 Ca 0.14 -2.27 -0.28 0.00 -1.95 0.00 0.00 55.36 51.00 3i2j s GLN 211 Cb -0.22 -2.37 -0.13 0.00 -0.22 0.00 0.00 33.01 30.08 3i2j s GLN 211 CO 0.09 -1.23 1.66 -1.35 -0.25 0.00 0.00 175.29 174.21 3i2j h PRO 212 N 6.28 -0.47 0.54 2.91 0.11 -1.97 0.90 132.00 140.30 3i2j h PRO 212 Ca 0.07 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3i2j h PRO 212 Cb 0.89 0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.11 3i2j h PRO 212 CO 0.51 -0.31 -0.26 1.25 -0.21 0.00 0.00 178.00 178.97 3i2j h LEU 213 N -0.49 -0.61 -0.71 2.35 5.85 -2.00 -2.86 115.31 116.84 3i2j h LEU 213 Ca -0.01 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3i2j h LEU 213 Cb 0.44 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3i2j h LEU 213 CO -0.03 -0.22 0.20 -0.07 -0.34 0.00 0.00 178.44 177.98 3i2j h LEU 214 N -1.11 1.05 -1.83 2.25 3.38 -1.94 -1.35 115.31 115.75 3i2j h LEU 214 Ca -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3i2j h LEU 214 Cb 0.61 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i2j h LEU 214 CO 0.12 0.99 -0.14 1.23 0.09 0.00 0.00 178.44 180.73 3i2j h GLY 215 N 1.05 0.00 0.35 0.83 0.00 -0.94 0.19 103.07 104.55 3i2j h GLY 215 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 3i2j h GLY 215 CO -0.00 0.00 -0.37 -0.09 0.00 0.00 0.00 176.54 176.08 3i2j h ARG 216 N 0.00 0.15 -0.26 4.80 2.43 -1.18 -2.97 114.38 117.36 3i2j h ARG 216 Ca -0.00 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.85 3i2j h ARG 216 Cb 0.30 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3i2j h ARG 216 CO 0.02 1.09 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.33 3i2j h LEU 217 N -0.67 0.60 -6.71 3.80 3.38 -1.12 -3.39 115.31 111.19 3i2j h LEU 217 Ca -0.06 -0.43 -0.60 0.00 0.09 0.00 0.00 57.88 56.88 3i2j h LEU 217 Cb 1.26 -0.17 -0.39 0.00 0.09 0.00 0.00 40.66 41.45 3i2j h LEU 217 CO 0.07 0.90 -0.82 -0.63 0.09 0.00 0.00 178.44 178.05 3i2j s ILE 218 N -4.50 0.87 0.39 1.22 1.01 0.64 -5.01 121.20 115.81 3i2j s ILE 218 Ca -0.13 -2.46 0.16 0.00 0.00 0.00 0.00 60.65 58.22 3i2j s ILE 218 Cb 0.08 -1.61 0.37 0.00 0.01 0.00 0.00 42.46 41.31 3i2j s ILE 218 CO 0.79 -1.02 1.81 -0.65 0.00 0.00 0.00 174.94 175.87 3i2j h PRO 219 N 6.43 0.46 -1.10 2.79 0.11 -1.69 -1.64 132.00 137.37 3i2j h PRO 219 Ca 0.10 -0.03 0.35 0.00 0.11 0.00 0.00 66.00 66.52 3i2j h PRO 219 Cb 0.92 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 31.79 3i2j h PRO 219 CO 0.40 0.30 0.66 2.35 -0.21 0.00 0.00 178.00 181.51 3i2j h TRP 220 N 0.47 0.77 -0.81 0.65 7.01 -1.92 -0.01 115.95 122.11 3i2j h TRP 220 Ca 0.53 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.74 3i2j h TRP 220 Cb 1.24 -0.20 -0.15 0.00 -2.10 0.00 0.00 29.16 27.95 3i2j h TRP 220 CO -0.00 -0.15 -0.12 0.28 -2.79 0.00 0.00 178.44 175.65 3i2j h VAL 221 N 0.26 0.22 0.00 2.65 2.07 -1.62 -1.58 116.25 118.25 3i2j h VAL 221 Ca 0.74 -0.01 -0.23 0.00 0.82 0.00 0.00 66.70 68.01 3i2j h VAL 221 Cb 1.91 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3i2j h VAL 221 CO -0.50 0.01 -1.41 -0.38 0.02 0.00 0.00 177.57 175.30 3i2j n ILE 222 N -5.47 1.51 -0.33 4.57 2.08 -0.57 -1.66 119.36 119.50 3i2j n ILE 222 Ca 0.13 -0.06 0.01 0.00 0.56 0.00 0.00 62.75 63.40 3i2j n ILE 222 Cb 0.46 -2.08 0.15 0.00 -0.75 0.00 0.00 39.64 37.42 3i2j n ILE 222 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3i2j h ASP 223 N -1.00 0.90 0.00 4.38 3.32 -1.02 -0.59 116.42 122.41 3i2j h ASP 223 Ca -0.35 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3i2j h ASP 223 Cb 1.23 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3i2j h ASP 223 CO -0.21 0.57 -0.68 1.67 -1.72 0.00 0.00 179.24 178.87 3i2j n GLN 224 N -4.59 0.44 0.10 3.56 -0.06 -0.62 -4.56 117.38 111.65 3i2j n GLN 224 Ca 0.13 0.34 -0.05 0.00 -2.00 0.00 0.00 57.00 55.42 3i2j n GLN 224 Cb 0.18 -1.46 -0.02 0.00 -4.06 0.00 0.00 30.24 24.88 3i2j n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i2j h VAL 225 N -0.89 0.00 -0.80 1.69 2.07 -1.46 -2.85 116.25 114.01 3i2j h VAL 225 Ca 0.00 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3i2j h VAL 225 Cb 0.68 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3i2j h VAL 225 CO 0.00 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.50 3i2j h VAL 226 N -0.68 1.26 0.00 2.57 2.07 -1.30 -2.70 116.25 117.47 3i2j h VAL 226 Ca -0.03 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3i2j h VAL 226 Cb 0.23 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3i2j h VAL 226 CO 0.05 0.33 0.00 0.47 0.02 0.00 0.00 177.57 178.44 3i2j n ASP 227 N -4.28 0.45 -3.67 0.57 8.00 -0.23 -4.19 116.55 113.21 3i2j n ASP 227 Ca 0.07 0.59 -0.28 0.00 0.71 0.00 0.00 54.79 55.88 3i2j n ASP 227 Cb 0.18 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.49 3i2j n ASP 227 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3i2j n HIS 228 N -1.97 3.45 0.22 1.24 8.25 -1.02 -4.91 115.22 120.48 3i2j n HIS 228 Ca 0.04 -4.24 0.09 0.00 -0.26 0.00 0.00 57.72 53.35 3i2j n HIS 228 Cb 0.27 -0.59 0.47 0.00 1.12 0.00 0.00 29.99 31.25 3i2j n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i2j h PRO 229 N 4.79 0.00 -6.81 -0.41 0.13 -1.75 -3.44 132.00 124.51 3i2j h PRO 229 Ca 0.17 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.83 3i2j h PRO 229 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 3i2j h PRO 229 CO 0.78 0.25 0.16 -0.51 -0.23 0.00 0.00 178.00 178.45 3i2j s ASP 230 N -6.25 6.83 -1.37 1.44 1.01 -1.26 -4.94 116.67 112.12 3i2j s ASP 230 Ca -0.00 1.40 -0.15 0.00 0.71 0.00 0.00 52.55 54.51 3i2j s ASP 230 Cb 0.11 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.63 3i2j s ASP 230 CO 0.64 -0.24 2.22 -3.20 0.21 0.00 0.00 175.17 174.80 3i2j n ASN 231 N -0.41 3.89 -1.72 0.27 5.15 -0.11 -4.89 115.26 117.44 3i2j n ASN 231 Ca 0.04 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 51.22 3i2j n ASN 231 Cb 0.53 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 3i2j n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i2j n ASP 232 N 6.17 0.00 0.25 1.20 5.68 -1.26 -4.48 116.55 124.11 3i2j n ASP 232 Ca 0.53 -0.79 0.08 0.00 -0.50 0.00 0.00 54.79 54.10 3i2j n ASP 232 Cb 0.38 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 40.99 3i2j n ASP 232 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i2j h GLU 233 N 0.00 0.01 -0.03 0.11 3.07 -1.98 -1.09 114.58 114.67 3i2j h GLU 233 Ca 0.00 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3i2j h GLU 233 Cb 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3i2j h GLU 233 CO 0.00 0.02 -0.13 0.66 -1.40 0.00 0.00 179.01 178.16 3i2j h SER 234 N 0.01 0.04 0.11 1.42 4.64 -1.94 -2.51 113.55 115.32 3i2j h SER 234 Ca 0.00 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3i2j h SER 234 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3i2j h SER 234 CO 0.00 0.17 -1.18 -0.50 -0.87 0.00 0.00 176.83 174.45 3i2j h TRP 235 N 0.04 0.44 -0.65 4.77 4.06 -1.56 -3.35 115.95 119.70 3i2j h TRP 235 Ca 0.01 -0.32 0.10 0.00 2.06 0.00 0.00 58.89 60.74 3i2j h TRP 235 Cb 0.26 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 3i2j h TRP 235 CO 0.00 1.46 0.43 1.96 -3.56 0.00 0.00 178.44 178.73 3i2j h GLN 236 N -0.38 0.44 -0.64 0.49 1.08 -1.37 -1.91 115.11 112.83 3i2j h GLN 236 Ca -0.25 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.03 3i2j h GLN 236 Cb 1.68 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 28.93 3i2j h GLN 236 CO 0.07 0.29 0.25 0.77 -0.95 0.00 0.00 178.83 179.26 3i2j h SER 237 N 0.46 0.25 0.26 1.46 0.02 -1.58 -2.33 113.55 112.09 3i2j h SER 237 Ca 0.30 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3i2j h SER 237 Cb 0.56 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3i2j h SER 237 CO -0.09 0.14 -0.40 2.30 -1.14 0.00 0.00 176.83 177.64 3i2j n ILE 238 N -4.99 0.00 -2.52 3.27 -5.35 -0.80 -4.92 119.36 104.06 3i2j n ILE 238 Ca 0.10 -0.10 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 3i2j n ILE 238 Cb 0.30 0.50 -0.04 0.00 -1.74 0.00 0.00 39.64 38.66 3i2j n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3i2j s SER 239 N -2.66 7.30 -0.01 7.28 0.15 -0.79 -4.78 113.70 120.19 3i2j s SER 239 Ca 0.19 2.16 0.13 0.00 0.70 0.00 0.00 55.95 59.14 3i2j s SER 239 Cb 0.18 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.70 3i2j s SER 239 CO 0.60 -0.15 0.41 0.18 1.20 0.00 0.00 173.24 175.48 3i2j n LEU 240 N 1.76 0.28 -0.17 3.45 7.99 0.21 -4.81 117.00 125.70 3i2j n LEU 240 Ca 0.01 -0.23 -0.03 0.00 -0.01 0.00 0.00 56.01 55.75 3i2j n LEU 240 Cb 0.46 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.84 3i2j n LEU 240 CO 0.54 0.07 0.98 0.15 -1.51 0.00 0.00 177.39 177.62 3i2j h PHE 241 N 0.00 0.36 0.00 -1.77 3.57 -1.77 -0.05 116.94 117.29 3i2j h PHE 241 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3i2j h PHE 241 Cb 0.48 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3i2j h PHE 241 CO 0.00 0.13 -0.10 0.93 -2.23 0.00 0.00 178.31 177.03 3i2j h GLU 242 N 0.40 0.00 0.00 1.11 4.39 -1.90 -1.49 114.58 117.09 3i2j h GLU 242 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3i2j h GLU 242 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3i2j h GLU 242 CO -0.24 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 177.71 3i2j h ARG 243 N 0.00 0.00 -0.35 2.33 3.08 -1.35 -3.35 114.38 114.74 3i2j h ARG 243 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3i2j h ARG 243 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3i2j h ARG 243 CO 0.01 0.00 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.68 3i2j h LEU 244 N 0.00 0.62 -2.30 3.04 3.38 -1.09 -3.11 115.31 115.85 3i2j h LEU 244 Ca 0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3i2j h LEU 244 Cb 0.72 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3i2j h LEU 244 CO 0.00 0.80 0.02 1.23 0.09 0.00 0.00 178.44 180.58 3i2j h GLY 245 N 0.98 0.00 -1.23 0.83 0.00 -1.72 -1.98 103.07 99.95 3i2j h GLY 245 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3i2j h GLY 245 CO 0.04 0.00 -0.06 0.61 0.00 0.00 0.00 176.54 177.13 3i2j n GLY 246 N -1.40 0.48 3.86 4.60 0.00 -1.18 -4.94 105.19 106.61 3i2j n GLY 246 Ca -0.02 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 3i2j n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2j s LEU 247 N -2.07 3.25 -0.30 0.99 1.43 -0.75 -5.00 118.68 116.23 3i2j s LEU 247 Ca 0.30 1.48 0.17 0.00 -1.03 0.00 0.00 54.13 55.06 3i2j s LEU 247 Cb 0.20 -4.48 0.48 0.00 0.03 0.00 0.00 46.19 42.42 3i2j s LEU 247 CO 0.35 -0.97 1.08 0.00 0.23 0.00 0.00 176.35 177.04 3i2j n ALA 248 N -2.71 3.45 -2.90 4.21 0.00 -1.26 -4.73 120.51 116.57 3i2j n ALA 248 Ca 0.06 -3.17 -0.37 0.00 0.00 0.00 0.00 53.44 49.96 3i2j n ALA 248 Cb 0.54 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 3i2j n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2j s THR 249 N -3.92 4.65 0.31 0.00 2.01 -1.26 -4.79 115.64 112.64 3i2j s THR 249 Ca 0.33 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 3i2j s THR 249 Cb 0.38 -3.18 -0.13 0.00 0.01 0.00 0.00 72.50 69.59 3i2j s THR 249 CO -0.02 0.33 1.33 -2.65 -0.69 0.00 0.00 174.62 172.91 3i2j n PRO 250 N 4.82 2.12 -3.79 4.92 -0.02 -1.26 -4.79 135.00 136.99 3i2j n PRO 250 Ca -0.16 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 3i2j n PRO 250 Cb 0.52 -2.35 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 3i2j n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2j s ALA 251 N -0.78 0.26 -0.52 3.55 0.00 -0.96 -1.63 121.76 121.67 3i2j s ALA 251 Ca 0.59 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 3i2j s ALA 251 Cb -0.59 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.19 3i2j s ALA 251 CO 0.58 -0.24 0.56 -1.17 0.00 0.00 0.00 175.76 175.50 3i2j s LEU 252 N 1.46 5.42 -0.23 0.00 0.20 -0.36 -1.02 118.68 124.15 3i2j s LEU 252 Ca -0.04 -1.28 -0.08 0.00 0.69 0.00 0.00 54.13 53.42 3i2j s LEU 252 Cb -0.13 -2.31 -0.04 0.00 -0.43 0.00 0.00 46.19 43.29 3i2j s LEU 252 CO -0.03 -0.88 0.10 -0.63 -0.29 0.00 0.00 176.35 174.62 3i2j s ILE 253 N 2.23 4.72 -0.03 6.68 1.01 0.08 -2.83 121.20 133.06 3i2j s ILE 253 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3i2j s ILE 253 Cb -0.23 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 3i2j s ILE 253 CO 0.08 0.36 -0.09 -0.89 0.00 0.00 0.00 174.94 174.40 3i2j s THR 254 N 1.20 3.46 0.19 2.92 2.01 -1.04 -1.22 115.64 123.15 3i2j s THR 254 Ca 0.05 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 3i2j s THR 254 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 3i2j s THR 254 CO 0.04 0.49 0.18 0.00 -0.69 0.00 0.00 174.62 174.65 3i2j s ALA 255 N -0.88 0.78 -0.01 7.40 0.00 -0.03 -0.45 121.76 128.57 3i2j s ALA 255 Ca 0.14 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.69 3i2j s ALA 255 Cb -0.11 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 3i2j s ALA 255 CO 0.04 -0.61 -0.13 0.20 0.00 0.00 0.00 175.76 175.26 3i2j s GLY 256 N -3.10 0.62 0.55 0.00 0.00 -1.26 -2.26 107.32 101.88 3i2j s GLY 256 Ca 0.31 -0.55 0.23 0.00 0.00 0.00 0.00 44.72 44.72 3i2j s GLY 256 CO 0.08 -0.46 2.15 1.49 0.00 0.00 0.00 173.10 176.37 3i2j h TRP 257 N 5.81 0.00 -0.26 1.90 -0.00 -0.98 -1.78 115.95 120.63 3i2j h TRP 257 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.56 3i2j h TRP 257 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.33 3i2j h TRP 257 CO 0.40 0.00 0.00 0.66 -0.00 0.00 0.00 178.44 179.50 3i2j n TYR 258 N -4.18 0.86 -3.27 0.49 4.01 -0.44 -4.91 117.16 109.72 3i2j n TYR 258 Ca -0.01 -0.83 -0.39 0.00 -0.16 0.00 0.00 57.90 56.51 3i2j n TYR 258 Cb 0.19 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 38.89 3i2j n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i2j s ASP 259 N -1.85 6.95 0.55 7.72 2.15 -0.67 -4.18 116.67 127.34 3i2j s ASP 259 Ca 0.39 1.13 0.28 0.00 0.43 0.00 0.00 52.55 54.79 3i2j s ASP 259 Cb 0.31 -2.34 1.45 0.00 -0.30 0.00 0.00 42.92 42.04 3i2j s ASP 259 CO 0.09 0.17 1.94 1.23 -0.17 0.00 0.00 175.17 178.43 3i2j h GLY 260 N 5.32 0.00 -0.74 2.66 0.00 -1.85 -1.73 103.07 106.73 3i2j h GLY 260 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i2j h GLY 260 CO 0.67 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.90 3i2j n PHE 261 N -4.20 0.01 -0.16 5.60 3.01 -1.26 -4.66 117.46 115.79 3i2j n PHE 261 Ca 0.13 -0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.56 3i2j n PHE 261 Cb 0.74 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.28 3i2j n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i2j h VAL 262 N 2.78 0.70 -0.70 -4.37 3.04 -1.55 0.20 116.25 116.35 3i2j h VAL 262 Ca 0.00 -0.08 0.01 0.00 -1.01 0.00 0.00 66.70 65.63 3i2j h VAL 262 Cb 0.59 0.46 -0.04 0.00 -2.01 0.00 0.00 31.29 30.30 3i2j h VAL 262 CO 0.00 0.04 0.46 1.23 -1.01 0.00 0.00 177.57 178.29 3i2j h GLY 263 N 0.22 0.98 1.59 3.17 0.00 -1.84 -1.85 103.07 105.35 3i2j h GLY 263 Ca 0.25 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 3i2j h GLY 263 CO -0.34 0.34 -0.92 0.83 0.00 0.00 0.00 176.54 176.44 3i2j h GLU 264 N 0.92 0.36 -0.06 4.80 4.39 -1.64 -2.28 114.58 121.09 3i2j h GLU 264 Ca 0.26 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.59 3i2j h GLU 264 Cb -0.08 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3i2j h GLU 264 CO -0.07 1.07 -0.06 0.77 -1.16 0.00 0.00 179.01 179.56 3i2j h SER 265 N 0.21 -0.19 -0.60 1.42 0.02 -0.43 -2.20 113.55 111.78 3i2j h SER 265 Ca -0.07 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3i2j h SER 265 Cb 1.56 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 64.16 3i2j h SER 265 CO 0.16 -0.09 0.19 -0.07 -1.14 0.00 0.00 176.83 175.88 3i2j h LEU 266 N -0.08 0.89 -1.74 5.07 3.38 -1.35 -2.54 115.31 118.94 3i2j h LEU 266 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3i2j h LEU 266 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3i2j h LEU 266 CO -0.11 0.84 -0.15 0.03 0.09 0.00 0.00 178.44 179.14 3i2j h ARG 267 N 0.93 0.00 -0.20 1.13 3.08 -1.20 -2.35 114.38 115.77 3i2j h ARG 267 Ca 0.21 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 3i2j h ARG 267 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3i2j h ARG 267 CO -0.01 0.15 -0.64 1.79 -1.07 0.00 0.00 179.97 180.19 3i2j h THR 268 N 0.00 1.30 -0.16 2.04 1.35 -0.97 -2.33 112.91 114.14 3i2j h THR 268 Ca -0.00 -1.87 0.01 0.00 -0.55 0.00 0.00 66.41 64.00 3i2j h THR 268 Cb 0.42 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 3i2j h THR 268 CO 0.02 0.59 0.06 0.15 -0.25 0.00 0.00 175.52 176.09 3i2j h PHE 269 N 0.53 0.10 -0.77 4.73 3.57 -1.31 -2.21 116.94 121.59 3i2j h PHE 269 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3i2j h PHE 269 Cb 1.24 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 3i2j h PHE 269 CO 0.07 0.05 0.46 0.28 -2.23 0.00 0.00 178.31 176.94 3i2j h VAL 270 N 0.14 1.21 -0.04 1.41 2.07 -1.49 -1.12 116.25 118.43 3i2j h VAL 270 Ca 0.07 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 3i2j h VAL 270 Cb 0.04 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3i2j h VAL 270 CO -0.07 0.22 -0.50 0.00 0.02 0.00 0.00 177.57 177.25 3i2j h ALA 271 N 1.45 1.09 0.00 1.67 0.00 -1.14 -3.33 119.26 119.01 3i2j h ALA 271 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i2j h ALA 271 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3i2j h ALA 271 CO -0.05 0.64 -1.40 1.33 0.00 0.00 0.00 179.25 179.77 3i2j n VAL 272 N -3.95 0.00 0.01 0.00 0.24 -0.86 -4.19 118.33 109.59 3i2j n VAL 272 Ca -0.02 -0.29 0.14 0.00 -2.04 0.00 0.00 64.34 62.14 3i2j n VAL 272 Cb 0.53 0.44 0.59 0.00 -1.47 0.00 0.00 33.84 33.93 3i2j n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i2j h LYS 273 N 0.00 0.18 0.00 7.34 2.10 -1.32 -2.38 116.57 122.49 3i2j h LYS 273 Ca 0.00 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 3i2j h LYS 273 Cb 0.62 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.89 3i2j h LYS 273 CO 0.00 0.12 -0.60 -0.44 -2.00 0.00 0.00 179.45 176.53 3i2j h ASP 274 N 0.19 0.00 0.00 7.07 3.32 -1.84 -3.35 116.42 121.81 3i2j h ASP 274 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3i2j h ASP 274 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3i2j h ASP 274 CO -0.04 0.60 -0.81 0.59 -1.72 0.00 0.00 179.24 177.87 3i2j n ASN 275 N -3.43 0.79 -3.88 6.45 3.02 -0.92 -5.03 115.26 112.26 3i2j n ASN 275 Ca 0.00 -0.86 -0.09 0.00 -0.03 0.00 0.00 54.58 53.60 3i2j n ASN 275 Cb 0.70 1.02 -0.05 0.00 -0.61 0.00 0.00 39.78 40.85 3i2j n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2j s ALA 276 N -2.58 -0.59 -0.63 5.41 0.00 -1.08 -4.67 121.76 117.62 3i2j s ALA 276 Ca 0.06 -0.56 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 3i2j s ALA 276 Cb 0.12 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 3i2j s ALA 276 CO 0.68 -0.83 1.99 0.34 0.00 0.00 0.00 175.76 177.94 3i2j s ASP 277 N -2.94 5.05 -0.04 0.00 2.15 -1.26 -4.55 116.67 115.07 3i2j s ASP 277 Ca 0.15 0.36 -0.03 0.00 0.43 0.00 0.00 52.55 53.46 3i2j s ASP 277 Cb -0.01 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 3i2j s ASP 277 CO 0.03 -2.57 0.11 0.00 -0.17 0.00 0.00 175.17 172.57 3i2j s ALA 278 N 9.99 3.70 0.11 3.66 0.00 -1.26 -2.27 121.76 135.69 3i2j s ALA 278 Ca 0.74 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.00 3i2j s ALA 278 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 3i2j s ALA 278 CO 0.19 0.67 -0.19 1.03 0.00 0.00 0.00 175.76 177.46 3i2j s ARG 279 N -1.51 1.11 -0.03 0.00 1.81 -0.18 -4.93 118.95 115.22 3i2j s ARG 279 Ca 0.21 -1.19 0.02 0.00 -1.72 0.00 0.00 55.73 53.05 3i2j s ARG 279 Cb -0.12 -1.29 0.01 0.00 -0.45 0.00 0.00 34.95 33.10 3i2j s ARG 279 CO 0.11 0.29 -0.08 -1.17 -0.68 0.00 0.00 175.30 173.77 3i2j s LEU 280 N -2.07 1.68 -0.07 2.53 2.96 -0.43 -0.74 118.68 122.54 3i2j s LEU 280 Ca 0.07 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3i2j s LEU 280 Cb -0.09 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 46.11 3i2j s LEU 280 CO 0.04 0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.38 3i2j s VAL 281 N 0.38 0.62 -0.13 1.68 1.01 -0.36 -0.77 120.40 122.84 3i2j s VAL 281 Ca -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3i2j s VAL 281 Cb -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.63 3i2j s VAL 281 CO 0.01 0.27 -0.05 -0.69 0.00 0.00 0.00 175.10 174.64 3i2j s VAL 282 N 1.41 0.91 0.47 2.92 1.01 -0.48 -0.85 120.40 125.78 3i2j s VAL 282 Ca -0.03 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3i2j s VAL 282 Cb -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3i2j s VAL 282 CO -0.03 0.25 0.39 -0.83 0.00 0.00 0.00 175.10 174.88 3i2j s GLY 283 N 1.74 2.20 -0.25 4.51 0.00 -0.96 -0.56 107.32 114.01 3i2j s GLY 283 Ca 0.03 -1.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 3i2j s GLY 283 CO -0.08 -1.79 2.12 -1.55 0.00 0.00 0.00 173.10 171.80 3i2j n PRO 284 N -1.63 1.69 -3.94 2.90 -0.04 -1.26 -0.68 135.00 132.04 3i2j n PRO 284 Ca 0.02 -1.29 -0.25 0.00 -0.04 0.00 0.00 63.50 61.95 3i2j n PRO 284 Cb 0.63 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3i2j n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2j s TRP 285 N -1.36 3.47 0.47 0.54 0.51 -1.26 -4.69 118.94 116.63 3i2j s TRP 285 Ca 0.28 0.08 0.07 0.00 -2.12 0.00 0.00 56.10 54.41 3i2j s TRP 285 Cb 0.21 -1.64 0.01 0.00 -0.81 0.00 0.00 33.47 31.23 3i2j s TRP 285 CO -0.02 0.49 0.41 -1.54 -0.51 0.00 0.00 176.95 175.78 3i2j s SER 286 N -3.47 4.88 0.35 2.95 1.04 -0.76 -1.33 113.70 117.36 3i2j s SER 286 Ca 0.34 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 55.89 3i2j s SER 286 Cb -0.10 -0.17 0.67 0.00 0.10 0.00 0.00 66.02 66.52 3i2j s SER 286 CO 0.29 -0.85 1.90 -0.74 0.98 0.00 0.00 173.24 174.81 3i2j h HIS 287 N 0.89 0.47 -0.27 5.02 2.76 -1.76 -2.77 115.15 119.48 3i2j h HIS 287 Ca -0.39 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 3i2j h HIS 287 Cb 1.28 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.10 3i2j h HIS 287 CO 0.66 0.48 0.00 -1.13 -1.30 0.00 0.00 177.93 176.64 3i2j n SER 288 N -4.29 2.73 -3.56 3.26 3.41 -1.26 -4.85 113.62 109.07 3i2j n SER 288 Ca 0.01 -1.85 -0.29 0.00 -0.26 0.00 0.00 58.87 56.48 3i2j n SER 288 Cb 0.24 -0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 3i2j n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i2j s ASN 289 N -1.01 3.48 -0.31 4.04 2.47 -1.05 -4.90 114.94 117.66 3i2j s ASN 289 Ca 0.23 -1.65 0.08 0.00 0.42 0.00 0.00 52.86 51.94 3i2j s ASN 289 Cb 0.13 -0.48 0.53 0.00 -1.45 0.00 0.00 41.25 39.97 3i2j s ASN 289 CO 0.17 -0.39 1.53 0.18 -3.72 0.00 0.00 177.10 174.87 3i2j n LEU 290 N 4.78 4.49 0.09 3.21 4.32 -1.26 -1.82 117.00 130.80 3i2j n LEU 290 Ca 0.00 -3.72 0.03 0.00 -0.02 0.00 0.00 56.01 52.30 3i2j n LEU 290 Cb 0.40 -0.66 -0.02 0.00 -1.62 0.00 0.00 43.42 41.52 3i2j n LEU 290 CO 0.09 1.21 0.07 0.71 -1.22 0.00 0.00 177.39 178.25 3i2j h THR 291 N 1.06 0.52 0.00 -5.08 1.35 -1.93 -0.54 112.91 108.29 3i2j h THR 291 Ca 0.27 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 3i2j h THR 291 Cb 1.82 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 3i2j h THR 291 CO 0.48 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 3i2j n GLY 292 N 1.29 0.85 3.33 5.82 0.00 -1.26 -3.70 105.19 111.53 3i2j n GLY 292 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3i2j n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2j s ARG 293 N -0.09 3.32 0.23 1.61 0.52 -1.26 -1.16 118.95 122.12 3i2j s ARG 293 Ca 0.00 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 3i2j s ARG 293 Cb 0.00 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 3i2j s ARG 293 CO 0.00 0.15 0.04 -0.80 0.02 0.00 0.00 175.30 174.71 3i2j s ASN 294 N 0.50 1.43 0.24 0.23 0.01 -0.24 -5.00 114.94 112.11 3i2j s ASN 294 Ca -0.10 -1.28 -0.05 0.00 -0.71 0.00 0.00 52.86 50.72 3i2j s ASN 294 Cb -0.16 0.10 0.45 0.00 0.41 0.00 0.00 41.25 42.05 3i2j s ASN 294 CO 0.04 -0.62 1.72 0.00 -1.51 0.00 0.00 177.10 176.73 3i2j h ALA 295 N 2.47 1.02 0.00 0.60 0.00 -1.92 -3.10 119.26 118.34 3i2j h ALA 295 Ca -0.38 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i2j h ALA 295 Cb 1.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i2j h ALA 295 CO 0.63 -0.24 -0.05 -0.25 0.00 0.00 0.00 179.25 179.34 3i2j n ASP 296 N -5.04 1.78 -3.64 0.00 8.00 -1.26 -5.01 116.55 111.39 3i2j n ASP 296 Ca 0.14 -2.37 -0.04 0.00 0.71 0.00 0.00 54.79 53.23 3i2j n ASP 296 Cb 0.42 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3i2j n ASP 296 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i2j s ARG 297 N -1.61 0.46 -0.08 -1.24 6.06 -1.17 -4.96 118.95 116.42 3i2j s ARG 297 Ca 0.13 1.25 0.03 0.00 -2.50 0.00 0.00 55.73 54.65 3i2j s ARG 297 Cb 0.12 0.62 -0.02 0.00 0.06 0.00 0.00 34.95 35.73 3i2j s ARG 297 CO 0.01 -0.24 -0.17 0.15 -2.50 0.00 0.00 175.30 172.55 3i2j s LYS 298 N 2.77 2.78 0.00 5.12 3.01 -1.26 -1.08 119.74 131.09 3i2j s LYS 298 Ca -0.03 -0.76 0.23 0.00 -1.01 0.00 0.00 55.97 54.39 3i2j s LYS 298 Cb -0.12 -2.38 0.01 0.00 -1.01 0.00 0.00 37.83 34.32 3i2j s LYS 298 CO -0.16 0.42 1.10 1.19 0.51 0.00 0.00 175.35 178.41 3i2j n PHE 299 N 2.88 0.00 0.00 3.18 3.72 -0.31 -5.03 117.46 121.90 3i2j n PHE 299 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3i2j n PHE 299 Cb 0.52 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3i2j n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2j n GLY 300 N 1.42 1.99 0.27 1.37 0.00 -1.26 -4.44 105.19 104.53 3i2j n GLY 300 Ca 0.09 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.32 3i2j n GLY 300 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2j h ILE 301 N 0.00 0.85 0.00 -0.61 2.10 -1.94 -1.61 117.51 116.31 3i2j h ILE 301 Ca 0.00 -0.13 -0.03 0.00 1.08 0.00 0.00 64.86 65.79 3i2j h ILE 301 Cb 0.00 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.80 3i2j h ILE 301 CO 0.00 0.03 -0.13 0.00 -1.08 0.00 0.00 178.15 176.97 3i2j h ALA 302 N 1.97 1.06 0.00 0.18 0.00 -1.96 -2.88 119.26 117.64 3i2j h ALA 302 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3i2j h ALA 302 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i2j h ALA 302 CO 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 179.25 179.11 3i2j h ALA 303 N 1.87 0.89 -2.23 0.00 0.00 -1.50 -3.46 119.26 114.83 3i2j h ALA 303 Ca -0.00 -0.28 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 3i2j h ALA 303 Cb 0.57 -0.05 0.08 0.00 0.00 0.00 0.00 17.79 18.39 3i2j h ALA 303 CO 0.02 0.39 0.57 2.41 0.00 0.00 0.00 179.25 182.64 3i2j n THR 304 N -3.31 0.87 -1.51 0.00 -1.04 -1.09 -4.47 114.28 103.73 3i2j n THR 304 Ca 0.01 -0.22 -0.58 0.00 -2.04 0.00 0.00 64.05 61.22 3i2j n THR 304 Cb 0.55 -1.38 -0.09 0.00 -1.82 0.00 0.00 70.33 67.59 3i2j n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2j n TYR 305 N 1.95 1.61 -2.37 -1.42 9.36 -0.21 -4.77 117.16 121.31 3i2j n TYR 305 Ca 0.12 0.64 -0.43 0.00 3.32 0.00 0.00 57.90 61.56 3i2j n TYR 305 Cb 0.30 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 3i2j n TYR 305 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i2j n PRO 306 N 6.56 3.20 -0.15 2.98 -0.04 -1.26 -4.82 135.00 141.46 3i2j n PRO 306 Ca 0.40 -3.23 0.02 0.00 -0.04 0.00 0.00 63.50 60.65 3i2j n PRO 306 Cb 0.07 -3.27 0.31 0.00 -0.04 0.00 0.00 33.50 30.57 3i2j n PRO 306 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3i2j h ILE 307 N 4.67 1.15 0.20 0.52 2.10 -1.90 0.61 117.51 124.87 3i2j h ILE 307 Ca 0.45 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 66.08 3i2j h ILE 307 Cb 0.77 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3i2j h ILE 307 CO 1.57 0.16 -0.10 -0.61 -1.08 0.00 0.00 178.15 178.09 3i2j h GLN 308 N 0.86 -0.26 -0.69 2.19 4.15 -1.95 -1.15 115.11 118.26 3i2j h GLN 308 Ca 0.24 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 3i2j h GLN 308 Cb -0.07 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3i2j h GLN 308 CO -0.06 -0.05 0.36 0.93 -1.93 0.00 0.00 178.83 178.09 3i2j h GLU 309 N -0.44 0.98 -0.92 1.69 5.08 -1.87 -1.60 114.58 117.51 3i2j h GLU 309 Ca -0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3i2j h GLU 309 Cb 0.34 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3i2j h GLU 309 CO 0.05 0.75 0.53 0.00 -1.00 0.00 0.00 179.01 179.33 3i2j h ALA 310 N 1.18 1.17 -0.31 3.43 0.00 -0.87 -0.93 119.26 122.92 3i2j h ALA 310 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i2j h ALA 310 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3i2j h ALA 310 CO -0.04 0.65 0.11 1.15 0.00 0.00 0.00 179.25 181.12 3i2j h THR 311 N 1.27 1.20 -0.64 0.00 2.02 -0.85 -0.15 112.91 115.76 3i2j h THR 311 Ca 0.33 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3i2j h THR 311 Cb -0.01 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3i2j h THR 311 CO -0.06 0.21 0.42 0.74 0.37 0.00 0.00 175.52 177.21 3i2j h THR 312 N 0.35 1.15 -0.24 3.16 2.02 -1.10 -1.16 112.91 117.08 3i2j h THR 312 Ca 0.10 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3i2j h THR 312 Cb 0.23 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3i2j h THR 312 CO -0.00 0.16 -0.04 -0.03 0.37 0.00 0.00 175.52 175.97 3i2j h MET 313 N 0.85 0.45 -0.61 6.66 -1.53 -1.02 -1.64 114.93 118.09 3i2j h MET 313 Ca 0.24 -0.17 0.06 0.00 -3.44 0.00 0.00 59.70 56.39 3i2j h MET 313 Cb -0.07 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 30.90 3i2j h MET 313 CO -0.06 0.67 0.31 0.45 0.14 0.00 0.00 176.91 178.42 3i2j h HIS 314 N 0.20 0.58 -0.71 1.39 3.86 -0.92 -0.82 115.15 118.72 3i2j h HIS 314 Ca 0.06 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3i2j h HIS 314 Cb 0.49 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3i2j h HIS 314 CO 0.05 0.27 0.17 -0.22 0.86 0.00 0.00 177.93 179.06 3i2j h LYS 315 N 0.59 1.14 -0.64 2.45 3.64 -1.08 0.41 116.57 123.07 3i2j h LYS 315 Ca 0.27 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3i2j h LYS 315 Cb 0.19 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3i2j h LYS 315 CO -0.19 1.00 0.25 0.00 -2.27 0.00 0.00 179.45 178.24 3i2j h ALA 316 N 1.09 0.83 0.03 5.00 0.00 -1.05 0.15 119.26 125.31 3i2j h ALA 316 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i2j h ALA 316 Cb 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i2j h ALA 316 CO 0.00 0.45 -0.02 0.35 0.00 0.00 0.00 179.25 180.04 3i2j h PHE 317 N 0.90 -0.04 -0.29 0.00 3.57 -0.80 -0.76 116.94 119.51 3i2j h PHE 317 Ca 0.21 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3i2j h PHE 317 Cb 0.21 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3i2j h PHE 317 CO 0.01 0.06 -0.26 0.74 -2.23 0.00 0.00 178.31 176.63 3i2j h PHE 318 N -0.13 0.63 -0.54 0.41 0.04 -0.85 -1.64 116.94 114.86 3i2j h PHE 318 Ca -0.00 -0.14 0.03 0.00 2.80 0.00 0.00 57.97 60.65 3i2j h PHE 318 Cb 0.12 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 3i2j h PHE 318 CO -0.05 0.77 0.32 -0.44 -0.60 0.00 0.00 178.31 178.31 3i2j h ASP 319 N 0.49 0.52 -0.06 2.17 3.32 -0.55 0.35 116.42 122.66 3i2j h ASP 319 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i2j h ASP 319 Cb 0.70 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i2j h ASP 319 CO 0.05 0.37 0.03 -0.09 -1.72 0.00 0.00 179.24 177.88 3i2j h ARG 320 N 0.64 0.09 0.00 3.56 9.65 -0.87 -2.46 114.38 124.99 3i2j h ARG 320 Ca 0.22 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.90 3i2j h ARG 320 Cb 0.03 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3i2j h ARG 320 CO -0.10 0.19 -1.75 0.72 2.80 0.00 0.00 179.97 181.83 3i2j n HIS 321 N -4.97 0.57 -0.07 2.20 8.25 -0.64 -2.75 115.22 117.81 3i2j n HIS 321 Ca -0.06 0.19 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 3i2j n HIS 321 Cb 0.09 -0.96 -0.16 0.00 1.12 0.00 0.00 29.99 30.08 3i2j n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i2j n LEU 322 N -2.74 0.00 -0.01 2.41 4.32 0.12 -4.56 117.00 116.55 3i2j n LEU 322 Ca -0.14 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 55.95 3i2j n LEU 322 Cb 0.87 0.33 -0.15 0.00 -1.62 0.00 0.00 43.42 42.85 3i2j n LEU 322 CO 0.43 0.33 -0.59 0.54 -1.22 0.00 0.00 177.39 176.89 3i2j n ARG 323 N -2.58 0.58 -1.43 3.23 1.74 -0.99 -4.84 116.66 112.37 3i2j n ARG 323 Ca -0.23 -0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 56.67 3i2j n ARG 323 Cb 0.96 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 3i2j n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i2j n GLY 324 N 1.37 0.51 3.54 -0.13 0.00 -1.05 -5.00 105.19 104.44 3i2j n GLY 324 Ca -0.02 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 3i2j n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2j s GLU 325 N -2.94 3.19 0.54 1.61 2.02 -0.96 -4.89 118.70 117.27 3i2j s GLU 325 Ca 0.00 -0.31 0.30 0.00 0.02 0.00 0.00 54.97 54.98 3i2j s GLU 325 Cb 0.00 -4.21 1.55 0.00 0.10 0.00 0.00 34.13 31.57 3i2j s GLU 325 CO 0.00 -2.12 2.10 1.79 0.02 0.00 0.00 175.26 177.05 3i2j h THR 326 N 6.04 0.47 -0.44 3.63 1.35 -1.89 -2.12 112.91 119.94 3i2j h THR 326 Ca -0.27 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3i2j h THR 326 Cb 1.05 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3i2j h THR 326 CO 1.27 0.09 0.00 -0.67 -0.25 0.00 0.00 175.52 175.96 3i2j n ASP 327 N -3.56 3.78 -0.04 5.36 2.03 -1.26 -4.65 116.55 118.21 3i2j n ASP 327 Ca -0.02 -2.38 0.05 0.00 0.52 0.00 0.00 54.79 52.96 3i2j n ASP 327 Cb 0.22 -0.43 0.42 0.00 -0.72 0.00 0.00 41.12 40.61 3i2j n ASP 327 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i2j h ALA 328 N 2.73 1.74 -0.55 -1.67 0.00 -1.69 -2.44 119.26 117.38 3i2j h ALA 328 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i2j h ALA 328 Cb 1.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i2j h ALA 328 CO 0.12 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.87 3i2j n LEU 329 N -4.47 5.37 -4.74 0.00 4.77 -1.26 -4.83 117.00 111.83 3i2j n LEU 329 Ca 0.05 -2.72 -0.42 0.00 -0.03 0.00 0.00 56.01 52.89 3i2j n LEU 329 Cb 0.11 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 3i2j n LEU 329 CO 0.35 0.62 1.21 0.00 -1.33 0.00 0.00 177.39 178.24 3i2j s ALA 330 N -2.57 3.73 0.00 -1.18 0.00 -0.92 -1.95 121.76 118.87 3i2j s ALA 330 Ca 0.51 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.93 3i2j s ALA 330 Cb 0.38 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3i2j s ALA 330 CO 0.16 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3i2j n GLY 331 N 2.61 2.20 3.68 0.00 0.00 -1.26 -5.01 105.19 107.41 3i2j n GLY 331 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3i2j n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2j s VAL 332 N -3.06 4.90 0.68 1.61 1.01 -0.82 -5.04 120.40 119.67 3i2j s VAL 332 Ca 0.00 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 3i2j s VAL 332 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.25 3i2j s VAL 332 CO 0.00 0.07 1.13 -2.16 0.00 0.00 0.00 175.10 174.14 3i2j s PRO 333 N 1.88 2.62 0.13 2.72 0.04 -1.26 -4.95 135.00 136.18 3i2j s PRO 333 Ca 0.39 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 3i2j s PRO 333 Cb -0.17 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3i2j s PRO 333 CO 0.14 -1.40 1.55 -0.22 0.04 0.00 0.00 177.00 177.11 3i2j h LYS 334 N -0.09 0.76 -4.45 4.56 1.63 -1.88 -3.45 116.57 113.65 3i2j h LYS 334 Ca -0.47 -0.27 -0.40 0.00 -0.85 0.00 0.00 60.65 58.67 3i2j h LYS 334 Cb 1.26 -0.06 -0.31 0.00 -0.60 0.00 0.00 32.23 32.53 3i2j h LYS 334 CO 0.53 0.87 -0.78 0.08 -3.45 0.00 0.00 179.45 176.70 3i2j s VAL 335 N -4.89 0.65 -0.09 2.00 1.01 -0.91 -1.31 120.40 116.86 3i2j s VAL 335 Ca -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3i2j s VAL 335 Cb 0.10 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.93 3i2j s VAL 335 CO 0.81 0.21 0.00 -0.60 0.00 0.00 0.00 175.10 175.52 3i2j s ARG 336 N 0.20 0.66 0.02 2.72 3.52 0.05 -0.50 118.95 125.63 3i2j s ARG 336 Ca -0.03 0.02 0.09 0.00 -0.13 0.00 0.00 55.73 55.68 3i2j s ARG 336 Cb -0.08 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.12 3i2j s ARG 336 CO 0.00 -0.35 -0.26 -0.51 -0.81 0.00 0.00 175.30 173.37 3i2j s LEU 337 N 1.94 2.13 -0.47 -0.88 1.43 -0.24 -1.38 118.68 121.21 3i2j s LEU 337 Ca 0.04 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 3i2j s LEU 337 Cb -0.13 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.82 3i2j s LEU 337 CO -0.06 0.28 0.79 0.12 0.23 0.00 0.00 176.35 177.71 3i2j s PHE 338 N -0.73 2.97 -0.44 0.29 5.36 0.28 -0.18 117.98 125.53 3i2j s PHE 338 Ca 0.11 0.08 -0.25 0.00 -0.96 0.00 0.00 56.93 55.91 3i2j s PHE 338 Cb -0.10 -3.70 0.02 0.00 -0.34 0.00 0.00 43.02 38.91 3i2j s PHE 338 CO 0.01 -1.04 0.87 0.08 -1.46 0.00 0.00 175.22 173.68 3i2j s VAL 339 N 3.32 4.56 0.76 3.12 1.01 0.40 -4.75 120.40 128.83 3i2j s VAL 339 Ca 0.29 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 3i2j s VAL 339 Cb -0.13 -4.37 0.05 0.00 0.00 0.00 0.00 36.38 31.93 3i2j s VAL 339 CO 0.21 -0.73 1.08 -0.04 0.00 0.00 0.00 175.10 175.62 3i2j s MET 340 N 3.53 2.36 0.00 2.72 1.00 -0.35 -1.11 119.30 127.45 3i2j s MET 340 Ca 0.34 0.99 0.00 0.00 0.00 0.00 0.00 55.69 57.02 3i2j s MET 340 Cb -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 34.83 32.80 3i2j s MET 340 CO 0.24 -1.52 0.00 0.41 0.00 0.00 0.00 175.02 174.15 3i2j n GLY 341 N -1.59 1.98 0.24 -0.03 0.00 -1.26 -0.53 105.19 104.00 3i2j n GLY 341 Ca 0.08 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.81 3i2j n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i2j h ILE 342 N 0.00 0.52 -5.77 -0.61 3.07 -1.77 -3.48 117.51 109.47 3i2j h ILE 342 Ca 0.00 -0.90 -0.33 0.00 1.55 0.00 0.00 64.86 65.17 3i2j h ILE 342 Cb 0.00 1.62 0.14 0.00 -0.27 0.00 0.00 36.82 38.31 3i2j h ILE 342 CO 0.00 0.18 -0.86 0.47 -1.05 0.00 0.00 178.15 176.89 3i2j n ASP 343 N -3.44 -4.59 -3.95 2.16 8.00 -0.26 -5.02 116.55 109.44 3i2j n ASP 343 Ca -0.00 -0.78 -0.12 0.00 0.71 0.00 0.00 54.79 54.59 3i2j n ASP 343 Cb 0.36 -4.59 -0.13 0.00 -0.02 0.00 0.00 41.12 36.74 3i2j n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i2j s GLU 344 N -5.18 0.27 0.38 -1.24 2.02 -0.81 -4.95 118.70 109.18 3i2j s GLU 344 Ca 0.30 -0.35 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 3i2j s GLU 344 Cb -0.06 -0.09 -0.09 0.00 0.10 0.00 0.00 34.13 33.98 3i2j s GLU 344 CO 0.78 0.01 1.08 -1.58 0.02 0.00 0.00 175.26 175.58 3i2j s TRP 345 N -0.71 3.29 -0.10 1.61 0.52 -1.26 -0.45 118.94 121.84 3i2j s TRP 345 Ca -0.06 1.64 -0.08 0.00 0.02 0.00 0.00 56.10 57.61 3i2j s TRP 345 Cb -0.05 -3.22 0.03 0.00 -1.15 0.00 0.00 33.47 29.08 3i2j s TRP 345 CO -0.00 -0.76 0.26 0.50 0.02 0.00 0.00 176.95 176.97 3i2j s ARG 346 N -2.24 0.28 0.17 4.98 3.52 0.75 -4.91 118.95 121.50 3i2j s ARG 346 Ca 0.55 0.41 -0.21 0.00 -0.13 0.00 0.00 55.73 56.35 3i2j s ARG 346 Cb -0.26 0.09 -0.08 0.00 -1.56 0.00 0.00 34.95 33.14 3i2j s ARG 346 CO 0.33 -0.07 0.69 -0.51 -0.81 0.00 0.00 175.30 174.93 3i2j s ASP 347 N 0.40 7.14 0.11 -2.12 1.01 -1.26 -1.08 116.67 120.87 3i2j s ASP 347 Ca -0.02 1.42 0.01 0.00 0.71 0.00 0.00 52.55 54.67 3i2j s ASP 347 Cb -0.04 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 3i2j s ASP 347 CO -0.02 0.14 -0.03 -1.61 0.21 0.00 0.00 175.17 173.87 3i2j s GLU 348 N -1.54 0.86 0.05 8.23 0.41 0.35 -4.99 118.70 122.07 3i2j s GLU 348 Ca 0.37 -1.37 0.23 0.00 -0.41 0.00 0.00 54.97 53.79 3i2j s GLU 348 Cb -0.19 -0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.08 3i2j s GLU 348 CO 0.22 -0.10 0.95 0.25 -0.49 0.00 0.00 175.26 176.09 3i2j n THR 349 N -0.06 0.19 -3.53 3.63 -2.24 -1.26 -2.13 114.28 108.88 3i2j n THR 349 Ca -0.10 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3i2j n THR 349 Cb 0.62 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3i2j n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i2j s ASP 350 N -4.12 -0.46 -0.05 3.42 -1.08 -1.26 -4.75 116.67 108.37 3i2j s ASP 350 Ca 0.02 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 3i2j s ASP 350 Cb 0.14 0.59 0.02 0.00 -1.46 0.00 0.00 42.92 42.22 3i2j s ASP 350 CO 0.82 -1.00 -0.03 0.86 0.52 0.00 0.00 175.17 176.33 3i2j s TRP 351 N -3.79 0.69 0.88 -5.34 -0.11 -1.26 -3.79 118.94 106.22 3i2j s TRP 351 Ca 0.03 -0.18 -0.12 0.00 1.22 0.00 0.00 56.10 57.05 3i2j s TRP 351 Cb -0.01 -0.68 0.08 0.00 -1.50 0.00 0.00 33.47 31.36 3i2j s TRP 351 CO -0.10 -0.22 0.90 -2.30 -4.62 0.00 0.00 176.95 170.61 3i2j n PRO 352 N 4.35 -0.18 -2.05 5.86 -0.02 -1.26 -4.72 135.00 136.99 3i2j n PRO 352 Ca -0.20 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 60.91 3i2j n PRO 352 Cb 0.51 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3i2j n PRO 352 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i2j s LEU 353 N -4.25 3.99 0.25 2.45 1.02 -1.25 -4.92 118.68 115.98 3i2j s LEU 353 Ca 0.66 2.53 -0.04 0.00 0.02 0.00 0.00 54.13 57.30 3i2j s LEU 353 Cb -0.25 -4.19 0.44 0.00 0.02 0.00 0.00 46.19 42.21 3i2j s LEU 353 CO 0.59 -1.13 1.77 -0.65 0.02 0.00 0.00 176.35 176.94 3i2j h PRO 354 N 1.96 0.59 -0.66 1.29 0.11 -1.98 -3.00 132.00 130.30 3i2j h PRO 354 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3i2j h PRO 354 Cb 1.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i2j h PRO 354 CO 0.60 0.39 0.01 -0.25 -0.21 0.00 0.00 178.00 178.53 3i2j n ASP 355 N -4.88 4.93 -4.69 -2.05 8.00 -1.26 -4.97 116.55 111.63 3i2j n ASP 355 Ca 0.14 -2.78 -0.42 0.00 0.71 0.00 0.00 54.79 52.44 3i2j n ASP 355 Cb 0.36 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3i2j n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i2j s THR 356 N -2.47 3.46 -0.47 -3.53 2.01 -1.14 -4.79 115.64 108.71 3i2j s THR 356 Ca 0.45 0.85 -0.13 0.00 0.31 0.00 0.00 61.69 63.17 3i2j s THR 356 Cb 0.35 -3.55 0.09 0.00 0.01 0.00 0.00 72.50 69.40 3i2j s THR 356 CO 0.13 -0.01 0.37 0.00 -0.69 0.00 0.00 174.62 174.42 3i2j s ALA 357 N 2.64 3.49 -0.71 7.40 0.00 -0.35 -4.92 121.76 129.31 3i2j s ALA 357 Ca 0.68 -2.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.16 3i2j s ALA 357 Cb -0.34 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 3i2j s ALA 357 CO 0.29 -1.77 1.64 0.71 0.00 0.00 0.00 175.76 176.63 3i2j s TYR 358 N 1.56 1.94 -0.21 0.00 2.02 -1.26 -1.18 117.35 120.22 3i2j s TYR 358 Ca 0.04 0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 57.08 3i2j s TYR 358 Cb -0.25 -4.31 -0.01 0.00 -0.40 0.00 0.00 41.96 36.98 3i2j s TYR 358 CO 0.04 -2.16 -0.03 0.99 -1.57 0.00 0.00 175.55 172.82 3i2j s THR 359 N 7.74 3.52 0.18 -0.71 2.01 0.12 -4.87 115.64 123.63 3i2j s THR 359 Ca 0.55 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 3i2j s THR 359 Cb -0.10 -2.60 -0.09 0.00 0.01 0.00 0.00 72.50 69.73 3i2j s THR 359 CO 0.15 0.42 1.33 -2.84 -0.69 0.00 0.00 174.62 173.00 3i2j s PRO 360 N 1.33 4.37 -0.27 4.92 0.02 -1.26 -1.03 135.00 143.07 3i2j s PRO 360 Ca 0.04 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3i2j s PRO 360 Cb -0.14 -3.20 0.05 0.00 0.02 0.00 0.00 34.50 31.23 3i2j s PRO 360 CO -0.01 -0.30 -0.07 -0.06 -0.33 0.00 0.00 177.00 176.23 3i2j s PHE 361 N 0.32 3.25 0.23 6.54 0.40 0.74 -4.49 117.98 124.97 3i2j s PHE 361 Ca 0.58 -2.10 -0.25 0.00 -0.60 0.00 0.00 56.93 54.57 3i2j s PHE 361 Cb -0.37 -2.01 -0.09 0.00 0.51 0.00 0.00 43.02 41.07 3i2j s PHE 361 CO 0.37 -0.84 0.82 0.71 0.70 0.00 0.00 175.22 176.98 3i2j s TYR 362 N 1.17 3.80 0.16 0.36 2.02 0.82 -1.32 117.35 124.37 3i2j s TYR 362 Ca -0.07 1.64 -0.30 0.00 -0.37 0.00 0.00 57.07 57.97 3i2j s TYR 362 Cb -0.20 -2.79 -0.07 0.00 -0.40 0.00 0.00 41.96 38.50 3i2j s TYR 362 CO -0.03 0.39 1.14 -0.51 -1.57 0.00 0.00 175.55 174.97 3i2j s LEU 363 N -1.58 4.45 0.00 -1.29 1.43 -0.63 -2.24 118.68 118.84 3i2j s LEU 363 Ca 0.42 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3i2j s LEU 363 Cb -0.21 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3i2j s LEU 363 CO 0.25 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3i2j n GLY 364 N 2.29 3.22 0.00 -3.19 0.00 -0.14 -4.60 105.19 102.77 3i2j n GLY 364 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3i2j n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2j n GLY 365 N 0.00 3.66 3.75 -0.02 0.00 -1.26 -0.75 105.19 110.58 3i2j n GLY 365 Ca 0.00 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 3i2j n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2j s SER 366 N 0.00 7.42 0.01 1.61 0.01 -1.25 -4.91 113.70 116.59 3i2j s SER 366 Ca 0.00 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.95 3i2j s SER 366 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3i2j s SER 366 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3i2j n GLY 367 N 1.91 -0.01 3.77 3.44 0.00 -1.26 -4.21 105.19 108.83 3i2j n GLY 367 Ca -0.02 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 3i2j n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2j s ALA 368 N -1.53 3.56 -2.37 4.61 0.00 -1.26 -4.89 121.76 119.88 3i2j s ALA 368 Ca 0.00 -0.77 0.22 0.00 0.00 0.00 0.00 51.96 51.41 3i2j s ALA 368 Cb 0.00 -1.66 0.73 0.00 0.00 0.00 0.00 23.12 22.19 3i2j s ALA 368 CO 0.00 0.63 1.55 0.00 0.00 0.00 0.00 175.76 177.94 3i2j n ALA 369 N 1.81 2.51 -1.73 0.00 0.00 -1.26 -0.61 120.51 121.24 3i2j n ALA 369 Ca -0.17 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 3i2j n ALA 369 Cb 0.54 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3i2j n ALA 369 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i2j n ASN 370 N 0.49 4.00 -0.62 0.00 4.13 -1.26 -1.19 115.26 120.81 3i2j n ASN 370 Ca 0.17 1.08 0.08 0.00 1.68 0.00 0.00 54.58 57.59 3i2j n ASN 370 Cb 0.38 -1.59 -0.04 0.00 -1.54 0.00 0.00 39.78 37.00 3i2j n ASN 370 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3i2j n THR 371 N 3.51 -0.27 0.42 3.41 -2.24 0.15 -3.36 114.28 115.89 3i2j n THR 371 Ca 0.14 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.36 3i2j n THR 371 Cb 0.35 -0.55 0.43 0.00 -2.10 0.00 0.00 70.33 68.47 3i2j n THR 371 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i2j n SER 372 N -3.10 0.45 -1.12 3.42 3.41 -0.44 -2.34 113.62 113.90 3i2j n SER 372 Ca -0.03 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3i2j n SER 372 Cb 0.29 -0.71 0.24 0.00 -0.26 0.00 0.00 64.21 63.78 3i2j n SER 372 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i2j n THR 373 N -2.00 0.78 -0.87 6.66 -2.24 -1.26 -4.94 114.28 110.41 3i2j n THR 373 Ca 0.02 -0.89 -0.09 0.00 -2.27 0.00 0.00 64.05 60.83 3i2j n THR 373 Cb 0.20 0.71 0.07 0.00 -2.10 0.00 0.00 70.33 69.21 3i2j n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2j n GLY 374 N 1.35 -2.11 1.37 3.38 0.00 -0.99 -4.99 105.19 103.21 3i2j n GLY 374 Ca 0.20 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.79 3i2j n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2j n GLY 375 N 1.00 2.41 3.72 -0.02 0.00 0.22 -4.94 105.19 107.58 3i2j n GLY 375 Ca 0.05 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3i2j n GLY 375 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2j s GLY 376 N -0.98 1.37 0.20 -0.02 0.00 -1.24 -3.94 107.32 102.72 3i2j s GLY 376 Ca 0.48 1.54 0.10 0.00 0.00 0.00 0.00 44.72 46.85 3i2j s GLY 376 CO 0.31 2.80 -0.19 -0.51 0.00 0.00 0.00 173.10 175.50 3i2j s THR 377 N 1.06 2.09 -0.02 0.90 -4.23 0.08 -2.06 115.64 113.45 3i2j s THR 377 Ca 0.73 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3i2j s THR 377 Cb -0.48 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3i2j s THR 377 CO 0.33 -0.33 -0.25 -0.76 -0.54 0.00 0.00 174.62 173.07 3i2j s LEU 378 N -2.96 2.05 -0.06 4.79 1.43 -0.23 -0.96 118.68 122.74 3i2j s LEU 378 Ca 0.21 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 3i2j s LEU 378 Cb -0.05 -1.29 0.05 0.00 0.03 0.00 0.00 46.19 44.93 3i2j s LEU 378 CO 0.09 0.30 0.49 -0.55 0.23 0.00 0.00 176.35 176.92 3i2j s SER 379 N -0.55 -0.43 0.03 2.29 0.15 -0.95 -4.17 113.70 110.06 3i2j s SER 379 Ca 0.08 0.49 0.17 0.00 0.70 0.00 0.00 55.95 57.39 3i2j s SER 379 Cb -0.10 0.52 0.71 0.00 -1.71 0.00 0.00 66.02 65.44 3i2j s SER 379 CO -0.01 -0.47 1.53 0.35 1.20 0.00 0.00 173.24 175.84 3i2j n THR 380 N 1.35 0.89 -3.62 6.45 -2.24 -1.26 -0.13 114.28 115.72 3i2j n THR 380 Ca -0.19 0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 3i2j n THR 380 Cb 0.56 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 3i2j n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i2j s SER 381 N -3.13 6.67 0.38 3.42 0.01 -1.26 -4.83 113.70 114.96 3i2j s SER 381 Ca 0.07 0.80 -0.28 0.00 1.31 0.00 0.00 55.95 57.86 3i2j s SER 381 Cb 0.10 -2.19 -0.11 0.00 0.21 0.00 0.00 66.02 64.04 3i2j s SER 381 CO 0.30 0.34 1.44 -0.38 0.41 0.00 0.00 173.24 175.35 3i2j n ILE 382 N 1.79 2.11 -2.07 1.44 5.41 -1.26 -4.58 119.36 122.20 3i2j n ILE 382 Ca -0.15 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.70 3i2j n ILE 382 Cb 0.53 -1.88 -0.01 0.00 -0.71 0.00 0.00 39.64 37.58 3i2j n ILE 382 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i2j s SER 383 N -0.21 6.38 0.14 4.38 0.15 -1.26 -4.96 113.70 118.31 3i2j s SER 383 Ca 0.55 2.66 0.11 0.00 0.70 0.00 0.00 55.95 59.96 3i2j s SER 383 Cb -0.49 -2.64 -0.13 0.00 -1.71 0.00 0.00 66.02 61.05 3i2j s SER 383 CO 0.63 -0.80 1.22 1.23 1.20 0.00 0.00 173.24 176.72 3i2j h GLY 384 N 2.78 0.00 -5.35 9.45 0.00 -1.92 -3.04 103.07 104.98 3i2j h GLY 384 Ca -0.49 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.19 3i2j h GLY 384 CO 0.63 0.00 -0.87 -0.51 0.00 0.00 0.00 176.54 175.79 3i2j s THR 385 N -2.78 1.88 0.24 4.70 -4.23 -1.26 -4.65 115.64 109.54 3i2j s THR 385 Ca 0.01 -0.93 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 3i2j s THR 385 Cb 0.09 -1.63 -0.12 0.00 1.34 0.00 0.00 72.50 72.18 3i2j s THR 385 CO 0.80 0.52 1.58 -0.62 -0.54 0.00 0.00 174.62 176.36 3i2j n GLU 386 N 3.45 2.50 -3.87 3.99 -0.58 -1.26 -4.37 120.64 120.49 3i2j n GLU 386 Ca -0.19 0.89 -0.09 0.00 -0.42 0.00 0.00 57.16 57.35 3i2j n GLU 386 Cb 0.53 -2.66 -0.00 0.00 -0.57 0.00 0.00 31.44 28.73 3i2j n GLU 386 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i2j s SER 387 N 0.67 -0.04 -0.15 1.62 0.15 0.77 -4.98 113.70 111.74 3i2j s SER 387 Ca 0.70 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 56.26 3i2j s SER 387 Cb -0.56 0.77 0.04 0.00 -1.71 0.00 0.00 66.02 64.56 3i2j s SER 387 CO 0.43 -1.48 0.39 0.00 1.20 0.00 0.00 173.24 173.79 3i2j s ALA 388 N -3.14 -0.97 -0.12 5.45 0.00 -1.26 -1.02 121.76 120.69 3i2j s ALA 388 Ca 0.15 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 3i2j s ALA 388 Cb -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3i2j s ALA 388 CO 0.10 -0.19 0.01 -0.51 0.00 0.00 0.00 175.76 175.17 3i2j s ASP 389 N 0.24 5.26 0.01 0.00 1.01 -0.40 -4.95 116.67 117.84 3i2j s ASP 389 Ca -0.00 0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.40 3i2j s ASP 389 Cb -0.03 -1.64 -0.02 0.00 1.01 0.00 0.00 42.92 42.24 3i2j s ASP 389 CO 0.00 0.30 -0.16 -0.89 0.21 0.00 0.00 175.17 174.63 3i2j s THR 390 N -0.43 1.28 0.14 -1.27 2.01 -1.26 -0.78 115.64 115.33 3i2j s THR 390 Ca 0.08 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 3i2j s THR 390 Cb -0.12 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.30 3i2j s THR 390 CO 0.02 0.25 0.31 -0.72 -0.69 0.00 0.00 174.62 173.79 3i2j s TYR 391 N -0.55 0.13 -0.23 4.92 -0.85 -0.41 -4.97 117.35 115.40 3i2j s TYR 391 Ca 0.05 -0.51 -0.15 0.00 -0.52 0.00 0.00 57.07 55.95 3i2j s TYR 391 Cb -0.07 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 3i2j s TYR 391 CO 0.00 -0.69 0.37 -1.17 -1.52 0.00 0.00 175.55 172.54 3i2j s LEU 392 N -2.89 4.11 -0.29 -3.49 2.96 -1.26 -0.83 118.68 116.98 3i2j s LEU 392 Ca 0.10 0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 54.30 3i2j s LEU 392 Cb 0.03 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 3i2j s LEU 392 CO -0.06 -0.11 0.17 -0.47 -1.32 0.00 0.00 176.35 174.56 3i2j s TYR 393 N 1.60 3.18 -0.28 5.38 5.04 0.84 -4.71 117.35 128.40 3i2j s TYR 393 Ca 0.17 -0.23 -0.03 0.00 -2.44 0.00 0.00 57.07 54.54 3i2j s TYR 393 Cb -0.15 -2.36 0.03 0.00 0.35 0.00 0.00 41.96 39.83 3i2j s TYR 393 CO 0.08 -0.31 -0.00 0.34 -1.34 0.00 0.00 175.55 174.31 3i2j s ASP 394 N 1.69 4.72 0.58 4.32 -1.08 -1.26 -1.00 116.67 124.63 3i2j s ASP 394 Ca 0.06 -0.99 0.28 0.00 -0.52 0.00 0.00 52.55 51.38 3i2j s ASP 394 Cb -0.16 -1.73 1.51 0.00 -1.46 0.00 0.00 42.92 41.07 3i2j s ASP 394 CO 0.08 -0.20 1.95 -0.65 0.52 0.00 0.00 175.17 176.88 3i2j h PRO 395 N 8.06 0.00 0.00 4.34 0.11 -1.84 0.21 132.00 142.88 3i2j h PRO 395 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i2j h PRO 395 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i2j h PRO 395 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3i2j h ALA 396 N 1.56 1.00 -2.23 -0.75 0.00 -1.94 -3.33 119.26 113.57 3i2j h ALA 396 Ca 0.19 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.52 3i2j h ALA 396 Cb 1.02 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 3i2j h ALA 396 CO -0.00 0.00 -0.93 -3.47 0.00 0.00 0.00 179.25 174.84 3i2j n ASP 397 N -2.62 0.90 -4.82 0.00 2.03 0.73 -5.13 116.55 107.65 3i2j n ASP 397 Ca 0.02 -2.79 -0.31 0.00 0.52 0.00 0.00 54.79 52.23 3i2j n ASP 397 Cb 0.31 -0.63 0.05 0.00 -0.72 0.00 0.00 41.12 40.12 3i2j n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i2j s PRO 398 N -1.11 2.97 0.02 -0.67 0.04 -1.23 -4.54 135.00 130.48 3i2j s PRO 398 Ca 0.34 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 3i2j s PRO 398 Cb 0.11 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 3i2j s PRO 398 CO -0.12 -1.08 1.60 0.08 0.04 0.00 0.00 177.00 177.53 3i2j s VAL 399 N -2.97 3.34 0.37 -0.36 1.01 -1.26 -4.91 120.40 115.62 3i2j s VAL 399 Ca 0.59 0.67 -0.27 0.00 0.00 0.00 0.00 61.98 62.97 3i2j s VAL 399 Cb -0.14 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3i2j s VAL 399 CO 0.53 -0.02 1.23 -2.16 0.00 0.00 0.00 175.10 174.68 3i2j s PRO 400 N 3.03 4.17 0.25 2.72 0.04 -1.26 -1.12 135.00 142.83 3i2j s PRO 400 Ca 0.72 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.48 3i2j s PRO 400 Cb -0.36 -2.85 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 3i2j s PRO 400 CO 0.30 -0.28 1.31 -1.12 0.04 0.00 0.00 177.00 177.26 3i2j s SER 401 N -0.84 6.85 -0.27 6.66 0.01 -0.09 -4.69 113.70 121.33 3i2j s SER 401 Ca 0.54 2.52 -0.02 0.00 1.31 0.00 0.00 55.95 60.30 3i2j s SER 401 Cb -0.35 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.37 3i2j s SER 401 CO 0.45 -0.53 0.23 -0.22 0.41 0.00 0.00 173.24 173.58 3i2j s LEU 402 N -0.77 0.05 0.00 2.44 2.96 -1.26 -4.90 118.68 117.19 3i2j s LEU 402 Ca 0.54 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3i2j s LEU 402 Cb -0.38 0.19 0.00 0.00 0.50 0.00 0.00 46.19 46.50 3i2j s LEU 402 CO 0.44 -0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3i2j n GLY 403 N 5.29 0.74 7.00 7.98 0.00 -1.25 -4.59 105.19 120.36 3i2j n GLY 403 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3i2j n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2j n GLY 404 N 0.00 1.58 1.74 -0.02 0.00 0.12 -3.72 105.19 104.88 3i2j n GLY 404 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3i2j n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2j n THR 405 N 0.00 2.89 -1.63 2.61 -2.24 -1.26 -4.45 114.28 110.20 3i2j n THR 405 Ca 0.00 -2.23 -0.44 0.00 -2.27 0.00 0.00 64.05 59.11 3i2j n THR 405 Cb 0.00 -0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 67.82 3i2j n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i2j n LEU 406 N -1.02 2.49 -0.12 3.22 4.77 -1.24 -3.63 117.00 121.46 3i2j n LEU 406 Ca 0.46 1.18 -0.21 0.00 -0.03 0.00 0.00 56.01 57.41 3i2j n LEU 406 Cb 1.37 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3i2j n LEU 406 CO 0.41 -0.98 -1.11 0.18 -1.33 0.00 0.00 177.39 174.56 3i2j n LEU 407 N 1.31 1.95 -0.02 2.23 4.77 -1.26 -4.50 117.00 121.46 3i2j n LEU 407 Ca 0.09 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 3i2j n LEU 407 Cb 0.32 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 3i2j n LEU 407 CO 0.61 0.23 -0.66 0.49 -1.33 0.00 0.00 177.39 176.73 3i2j n PHE 408 N -4.34 0.00 -2.68 -1.77 3.72 -1.26 -4.36 117.46 106.77 3i2j n PHE 408 Ca -0.38 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.59 3i2j n PHE 408 Cb 0.73 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 3i2j n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i2j s HIS 409 N -2.10 2.84 -1.42 1.38 2.46 -1.26 -4.20 115.29 112.99 3i2j s HIS 409 Ca -0.05 0.57 -0.12 0.00 0.47 0.00 0.00 55.06 55.92 3i2j s HIS 409 Cb 0.02 -4.27 0.02 0.00 -0.13 0.00 0.00 32.58 28.21 3i2j s HIS 409 CO 0.14 -1.23 0.27 0.09 -2.47 0.00 0.00 174.74 171.54 3i2j n ASN 410 N 7.62 -0.94 -0.95 9.88 3.02 -1.26 -4.84 115.26 127.79 3i2j n ASN 410 Ca 0.10 -1.27 0.03 0.00 -0.03 0.00 0.00 54.58 53.40 3i2j n ASN 410 Cb 0.49 -1.72 0.15 0.00 -0.61 0.00 0.00 39.78 38.09 3i2j n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2j n GLY 411 N -2.38 1.79 0.50 7.41 0.00 -1.26 -4.09 105.19 107.16 3i2j n GLY 411 Ca -0.25 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.50 3i2j n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i2j n ASP 412 N 0.25 2.54 -2.73 1.61 5.75 -1.26 -4.09 116.55 118.62 3i2j n ASP 412 Ca 0.10 -3.35 -0.09 0.00 -0.01 0.00 0.00 54.79 51.44 3i2j n ASP 412 Cb 0.55 -0.50 0.05 0.00 -1.03 0.00 0.00 41.12 40.19 3i2j n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i2j n ASN 413 N -1.14 0.29 -0.16 -1.12 5.15 -1.26 -4.77 115.26 112.25 3i2j n ASN 413 Ca 0.20 -2.72 -0.13 0.00 -0.60 0.00 0.00 54.58 51.33 3i2j n ASN 413 Cb 0.76 -0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.91 3i2j n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3i2j h GLY 414 N 2.73 -0.96 -5.43 8.20 0.00 -1.84 -2.88 103.07 102.90 3i2j h GLY 414 Ca -0.13 0.71 -0.64 0.00 0.00 0.00 0.00 47.33 47.27 3i2j h GLY 414 CO 0.33 -0.11 3.39 -1.55 0.00 0.00 0.00 176.54 178.60 3i2j n PRO 415 N -5.37 3.10 -2.74 4.80 -0.04 -1.26 -0.70 135.00 132.79 3i2j n PRO 415 Ca -0.03 -2.18 -0.39 0.00 -0.04 0.00 0.00 63.50 60.86 3i2j n PRO 415 Cb 0.34 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 3i2j n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2j s ALA 416 N 2.81 3.28 0.10 0.55 0.00 -1.08 -4.56 121.76 122.85 3i2j s ALA 416 Ca 0.59 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 3i2j s ALA 416 Cb 0.16 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 3i2j s ALA 416 CO -0.05 0.15 1.42 0.34 0.00 0.00 0.00 175.76 177.62 3i2j s ASP 417 N -1.37 6.80 0.00 0.00 2.15 -1.26 -1.88 116.67 121.11 3i2j s ASP 417 Ca 0.46 2.32 0.25 0.00 0.43 0.00 0.00 52.55 56.01 3i2j s ASP 417 Cb -0.23 -2.58 0.45 0.00 -0.30 0.00 0.00 42.92 40.26 3i2j s ASP 417 CO 0.29 -0.69 1.37 0.00 -0.17 0.00 0.00 175.17 175.97 3i2j n GLN 418 N 4.27 0.70 -0.34 4.34 1.13 0.18 -4.44 117.38 123.22 3i2j n GLN 418 Ca 0.12 -0.47 0.17 0.00 -1.94 0.00 0.00 57.00 54.88 3i2j n GLN 418 Cb 0.42 -1.49 0.39 0.00 0.11 0.00 0.00 30.24 29.67 3i2j n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i2j h ARG 419 N 1.16 0.59 -0.36 -1.09 3.08 -1.91 -1.33 114.38 114.52 3i2j h ARG 419 Ca 0.00 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.12 3i2j h ARG 419 Cb 0.56 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3i2j h ARG 419 CO 0.00 0.39 0.38 -1.35 -1.07 0.00 0.00 179.97 178.32 3i2j h PRO 420 N 0.61 0.00 0.00 0.04 0.11 -1.99 -3.27 132.00 127.49 3i2j h PRO 420 Ca 0.61 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.63 3i2j h PRO 420 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3i2j h PRO 420 CO -0.41 0.00 -1.34 0.44 -0.21 0.00 0.00 178.00 176.48 3i2j n ILE 421 N -3.75 0.34 0.45 4.15 -5.35 -0.55 -4.63 119.36 110.02 3i2j n ILE 421 Ca 0.06 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3i2j n ILE 421 Cb 0.55 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 3i2j n ILE 421 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i2j n HIS 422 N -2.18 0.00 0.62 4.28 1.44 -0.88 -0.74 115.22 117.76 3i2j n HIS 422 Ca -0.08 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.74 3i2j n HIS 422 Cb 0.65 -0.03 -0.01 0.00 0.12 0.00 0.00 29.99 30.72 3i2j n HIS 422 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3i2j n ASP 423 N 0.14 0.62 -4.76 4.39 5.75 -1.26 -1.32 116.55 120.10 3i2j n ASP 423 Ca 0.00 -0.35 -0.40 0.00 -0.01 0.00 0.00 54.79 54.03 3i2j n ASP 423 Cb 0.07 0.93 -0.04 0.00 -1.03 0.00 0.00 41.12 41.06 3i2j n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i2j s ARG 424 N -3.18 4.55 0.61 0.11 0.52 0.08 -4.77 118.95 116.87 3i2j s ARG 424 Ca 0.04 1.93 0.31 0.00 -0.52 0.00 0.00 55.73 57.49 3i2j s ARG 424 Cb 0.15 -3.16 1.82 0.00 0.52 0.00 0.00 34.95 34.28 3i2j s ARG 424 CO 0.82 0.08 2.18 0.22 0.02 0.00 0.00 175.30 178.62 3i2j h ASP 425 N 3.78 0.00 -0.33 0.23 3.58 -1.93 -0.58 116.42 121.17 3i2j h ASP 425 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3i2j h ASP 425 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 3i2j h ASP 425 CO 0.67 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.13 3i2j n ASP 426 N -3.66 1.93 -4.23 2.28 5.75 -1.26 -4.57 116.55 112.79 3i2j n ASP 426 Ca -0.01 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 3i2j n ASP 426 Cb 0.22 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 3i2j n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i2j s VAL 427 N -1.56 3.87 -0.07 2.12 1.01 -0.22 -4.39 120.40 121.16 3i2j s VAL 427 Ca 0.26 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 3i2j s VAL 427 Cb 0.14 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3i2j s VAL 427 CO 0.19 -0.48 0.65 -0.76 0.00 0.00 0.00 175.10 174.70 3i2j s LEU 428 N 1.35 4.32 -0.08 3.92 1.43 0.18 -0.68 118.68 129.13 3i2j s LEU 428 Ca 0.03 1.13 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 3i2j s LEU 428 Cb -0.22 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 3i2j s LEU 428 CO 0.00 -0.07 -0.23 0.00 0.23 0.00 0.00 176.35 176.28 3i2j s TYR 430 N 0.00 0.85 0.09 0.00 1.51 -0.69 -3.59 117.35 115.52 3i2j s TYR 430 Ca -0.08 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3i2j s TYR 430 Cb -0.15 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 3i2j s TYR 430 CO 0.05 -0.31 -0.17 -1.12 -1.11 0.00 0.00 175.55 172.90 3i2j s SER 431 N 1.52 2.07 0.87 2.29 0.01 -0.87 -0.96 113.70 118.63 3i2j s SER 431 Ca -0.01 -0.68 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 3i2j s SER 431 Cb -0.13 -0.09 0.11 0.00 0.21 0.00 0.00 66.02 66.13 3i2j s SER 431 CO -0.04 -0.04 1.12 0.42 0.41 0.00 0.00 173.24 175.12 3i2j s THR 432 N -1.40 2.40 0.91 1.44 -4.23 -0.38 -1.07 115.64 113.32 3i2j s THR 432 Ca 0.03 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 3i2j s THR 432 Cb -0.09 -2.86 0.14 0.00 1.34 0.00 0.00 72.50 71.02 3i2j s THR 432 CO 0.03 -0.17 1.09 -1.61 -0.54 0.00 0.00 174.62 173.42 3i2j s GLU 433 N -5.22 1.16 0.22 3.99 0.41 -1.26 -4.72 118.70 113.29 3i2j s GLU 433 Ca 0.63 0.90 -0.32 0.00 -0.41 0.00 0.00 54.97 55.77 3i2j s GLU 433 Cb -0.15 -1.79 -0.12 0.00 -1.78 0.00 0.00 34.13 30.29 3i2j s GLU 433 CO 0.54 -2.33 1.62 0.28 -0.49 0.00 0.00 175.26 174.88 3i2j n VAL 434 N -3.96 0.38 -2.71 2.63 0.31 -1.26 -4.72 118.33 108.99 3i2j n VAL 434 Ca 0.07 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.91 3i2j n VAL 434 Cb 0.55 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 3i2j n VAL 434 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i2j s LEU 435 N 0.56 4.57 -0.02 7.52 1.43 0.11 -4.87 118.68 127.98 3i2j s LEU 435 Ca 0.72 1.98 0.17 0.00 -1.03 0.00 0.00 54.13 55.97 3i2j s LEU 435 Cb -0.56 -3.70 -0.25 0.00 0.03 0.00 0.00 46.19 41.72 3i2j s LEU 435 CO 0.40 0.06 0.45 0.35 0.23 0.00 0.00 176.35 177.84 3i2j n THR 436 N 1.25 0.00 -4.51 5.49 -2.24 -1.26 -0.35 114.28 112.66 3i2j n THR 436 Ca -0.01 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3i2j n THR 436 Cb 0.47 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 3i2j n THR 436 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i2j s ASP 437 N -3.64 3.20 0.43 3.42 1.01 -1.26 -4.77 116.67 115.06 3i2j s ASP 437 Ca -0.03 -0.70 -0.25 0.00 0.71 0.00 0.00 52.55 52.28 3i2j s ASP 437 Cb 0.11 -0.23 -0.08 0.00 1.01 0.00 0.00 42.92 43.73 3i2j s ASP 437 CO 0.70 0.19 1.26 -2.16 0.21 0.00 0.00 175.17 175.37 3i2j s PRO 438 N -1.83 3.87 -0.18 8.23 0.04 -1.26 -4.48 135.00 139.40 3i2j s PRO 438 Ca 0.13 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.22 3i2j s PRO 438 Cb -0.10 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.83 3i2j s PRO 438 CO 0.05 -0.53 -0.13 0.08 0.04 0.00 0.00 177.00 176.50 3i2j s VAL 439 N -1.34 1.68 -0.13 -0.36 1.01 -0.46 -4.97 120.40 115.84 3i2j s VAL 439 Ca 0.59 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 3i2j s VAL 439 Cb -0.35 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3i2j s VAL 439 CO 0.45 0.33 0.42 -0.70 0.00 0.00 0.00 175.10 175.60 3i2j s GLU 440 N 1.41 4.32 -0.31 2.72 2.12 -1.25 -0.60 118.70 127.10 3i2j s GLU 440 Ca 0.02 0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.72 3i2j s GLU 440 Cb -0.14 -3.43 0.09 0.00 0.26 0.00 0.00 34.13 30.90 3i2j s GLU 440 CO -0.10 0.18 -0.00 0.08 -0.54 0.00 0.00 175.26 174.88 3i2j s VAL 441 N 0.58 2.12 -0.21 3.70 1.01 0.45 -1.42 120.40 126.64 3i2j s VAL 441 Ca 0.23 -2.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.17 3i2j s VAL 441 Cb -0.14 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.85 3i2j s VAL 441 CO 0.08 -0.40 0.05 -0.89 0.00 0.00 0.00 175.10 173.94 3i2j s THR 442 N 1.03 0.45 -5.00 3.92 2.01 -0.46 -0.50 115.64 117.09 3i2j s THR 442 Ca 0.04 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3i2j s THR 442 Cb -0.19 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.28 3i2j s THR 442 CO -0.08 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 3i2j n GLY 443 N 5.07 -0.43 3.79 4.40 0.00 -0.44 -4.73 105.19 112.85 3i2j n GLY 443 Ca -0.08 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 3i2j n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2j s THR 444 N -2.72 3.72 -0.02 2.61 -4.23 -1.26 -1.94 115.64 111.81 3i2j s THR 444 Ca 0.00 1.25 0.05 0.00 -1.18 0.00 0.00 61.69 61.81 3i2j s THR 444 Cb 0.00 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 3i2j s THR 444 CO 0.00 -0.06 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.16 3i2j s VAL 445 N -1.74 1.38 0.12 2.29 1.01 -0.12 -4.32 120.40 119.02 3i2j s VAL 445 Ca 0.60 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 3i2j s VAL 445 Cb -0.21 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i2j s VAL 445 CO 0.26 0.39 0.27 -0.94 0.00 0.00 0.00 175.10 175.08 3i2j s SER 446 N -0.37 0.02 0.10 3.32 1.04 -1.21 -0.91 113.70 115.68 3i2j s SER 446 Ca 0.06 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 55.91 3i2j s SER 446 Cb -0.07 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3i2j s SER 446 CO -0.00 -0.82 -0.22 0.00 0.98 0.00 0.00 173.24 173.18 3i2j s ALA 447 N -3.89 1.87 -0.23 5.32 0.00 -0.29 0.00 121.76 124.54 3i2j s ALA 447 Ca 0.09 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.82 3i2j s ALA 447 Cb 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3i2j s ALA 447 CO -0.07 0.39 -0.10 1.03 0.00 0.00 0.00 175.76 177.00 3i2j s ARG 448 N -1.81 2.11 0.03 0.00 1.81 0.21 -0.67 118.95 120.62 3i2j s ARG 448 Ca 0.07 -1.05 0.08 0.00 -1.72 0.00 0.00 55.73 53.12 3i2j s ARG 448 Cb -0.10 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.74 3i2j s ARG 448 CO 0.04 -0.49 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.42 3i2j s LEU 449 N 1.28 2.27 -0.34 2.53 1.43 -0.35 -0.92 118.68 124.58 3i2j s LEU 449 Ca -0.04 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 3i2j s LEU 449 Cb -0.18 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3i2j s LEU 449 CO -0.07 0.27 0.39 -0.36 0.23 0.00 0.00 176.35 176.81 3i2j s PHE 450 N -0.79 3.21 0.13 0.29 0.40 -1.26 -0.68 117.98 119.27 3i2j s PHE 450 Ca 0.12 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.53 3i2j s PHE 450 Cb -0.10 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 3i2j s PHE 450 CO 0.02 -0.44 -0.13 0.14 0.70 0.00 0.00 175.22 175.51 3i2j s VAL 451 N 2.08 1.30 0.07 -0.44 -7.23 0.12 -0.39 120.40 115.91 3i2j s VAL 451 Ca 0.13 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.48 3i2j s VAL 451 Cb -0.16 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 3i2j s VAL 451 CO 0.12 -0.46 0.10 -0.94 -0.31 0.00 0.00 175.10 173.61 3i2j s SER 452 N -2.55 0.25 0.03 4.85 1.04 -0.60 -0.62 113.70 116.10 3i2j s SER 452 Ca 0.10 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 3i2j s SER 452 Cb -0.04 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3i2j s SER 452 CO 0.03 -0.65 0.03 -0.55 0.98 0.00 0.00 173.24 173.08 3i2j s SER 453 N -2.76 0.26 0.04 7.02 0.15 -1.26 -0.82 113.70 116.32 3i2j s SER 453 Ca 0.04 -0.61 0.27 0.00 0.70 0.00 0.00 55.95 56.35 3i2j s SER 453 Cb 0.05 0.18 1.10 0.00 -1.71 0.00 0.00 66.02 65.65 3i2j s SER 453 CO -0.10 -0.46 1.85 -1.54 1.20 0.00 0.00 173.24 174.19 3i2j n SER 454 N 0.90 0.14 -4.90 5.45 3.41 -0.76 -0.26 113.62 117.60 3i2j n SER 454 Ca -0.20 0.51 -0.20 0.00 -0.26 0.00 0.00 58.87 58.73 3i2j n SER 454 Cb 0.58 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3i2j n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2j s ALA 455 N -3.02 3.99 -1.69 7.33 0.00 -1.26 -4.77 121.76 122.33 3i2j s ALA 455 Ca 0.13 -1.59 0.28 0.00 0.00 0.00 0.00 51.96 50.77 3i2j s ALA 455 Cb 0.17 -1.35 1.00 0.00 0.00 0.00 0.00 23.12 22.94 3i2j s ALA 455 CO 0.51 -0.01 1.72 1.33 0.00 0.00 0.00 175.76 179.30 3i2j n VAL 456 N -1.47 0.00 -3.51 0.00 0.24 -1.26 -4.21 118.33 108.12 3i2j n VAL 456 Ca -0.01 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.03 3i2j n VAL 456 Cb 0.59 0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 3i2j n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i2j s ASP 457 N -2.49 -0.64 0.12 -1.34 2.15 -1.26 -1.48 116.67 111.72 3i2j s ASP 457 Ca 0.26 0.62 -0.24 0.00 0.43 0.00 0.00 52.55 53.62 3i2j s ASP 457 Cb 0.20 0.55 0.08 0.00 -0.30 0.00 0.00 42.92 43.44 3i2j s ASP 457 CO 0.50 -0.65 1.11 0.28 -0.17 0.00 0.00 175.17 176.24 3i2j s THR 458 N -1.52 0.00 0.19 1.71 -1.32 -1.26 -4.15 115.64 109.29 3i2j s THR 458 Ca -0.09 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.01 3i2j s THR 458 Cb -0.00 -2.84 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 3i2j s THR 458 CO 0.07 0.00 -0.03 -1.81 -2.21 0.00 0.00 174.62 170.64 3i2j s ASP 459 N -3.48 4.55 -0.03 8.08 1.01 -1.26 -0.59 116.67 124.95 3i2j s ASP 459 Ca 0.23 -0.51 0.03 0.00 0.71 0.00 0.00 52.55 53.02 3i2j s ASP 459 Cb -0.02 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 43.03 3i2j s ASP 459 CO 0.03 0.08 -0.12 -0.36 0.21 0.00 0.00 175.17 175.01 3i2j s PHE 460 N -1.84 1.18 0.16 4.23 0.08 -0.36 -4.34 117.98 117.10 3i2j s PHE 460 Ca 0.27 -0.30 0.10 0.00 0.12 0.00 0.00 56.93 57.12 3i2j s PHE 460 Cb -0.09 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3i2j s PHE 460 CO 0.18 -0.11 -0.19 0.95 -0.10 0.00 0.00 175.22 175.94 3i2j s THR 461 N 0.10 2.68 -0.01 0.64 -4.23 0.23 -0.67 115.64 114.39 3i2j s THR 461 Ca -0.02 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3i2j s THR 461 Cb -0.09 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.50 3i2j s THR 461 CO 0.01 -0.02 0.01 0.00 -0.54 0.00 0.00 174.62 174.08 3i2j s ALA 462 N -1.43 0.05 -0.03 3.99 0.00 -0.98 -2.24 121.76 121.12 3i2j s ALA 462 Ca 0.20 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.33 3i2j s ALA 462 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3i2j s ALA 462 CO 0.11 -0.05 -0.10 0.21 0.00 0.00 0.00 175.76 175.93 3i2j s LYS 463 N 0.50 1.08 -0.06 0.00 2.20 -0.03 -1.46 119.74 121.97 3i2j s LYS 463 Ca -0.04 -0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.10 3i2j s LYS 463 Cb -0.06 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.21 3i2j s LYS 463 CO -0.01 0.12 0.34 -1.17 -0.36 0.00 0.00 175.35 174.27 3i2j s LEU 464 N 0.21 4.40 -0.00 5.43 2.96 0.21 -0.78 118.68 131.11 3i2j s LEU 464 Ca -0.04 0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3i2j s LEU 464 Cb -0.09 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.14 3i2j s LEU 464 CO 0.01 0.28 0.01 -0.69 -1.32 0.00 0.00 176.35 174.63 3i2j s VAL 465 N -0.67 -0.01 -0.39 1.68 1.01 -0.20 -0.78 120.40 121.04 3i2j s VAL 465 Ca 0.21 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 3i2j s VAL 465 Cb -0.15 -0.03 0.02 0.00 0.00 0.00 0.00 36.38 36.22 3i2j s VAL 465 CO 0.10 0.02 0.27 -0.62 0.00 0.00 0.00 175.10 174.86 3i2j s ASP 466 N 0.22 5.98 -0.32 3.32 -1.08 -0.01 -1.23 116.67 123.56 3i2j s ASP 466 Ca -0.02 -0.88 -0.24 0.00 -0.52 0.00 0.00 52.55 50.89 3i2j s ASP 466 Cb -0.03 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 3i2j s ASP 466 CO -0.01 -0.41 0.83 -0.69 0.52 0.00 0.00 175.17 175.42 3i2j s VAL 467 N 1.64 4.74 0.52 1.11 1.01 -0.71 -0.47 120.40 128.24 3i2j s VAL 467 Ca 0.04 1.21 -0.09 0.00 0.00 0.00 0.00 61.98 63.14 3i2j s VAL 467 Cb -0.19 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3i2j s VAL 467 CO 0.09 -0.32 0.89 -0.36 0.00 0.00 0.00 175.10 175.40 3i2j s PHE 468 N 3.09 3.56 0.30 5.22 0.40 0.81 -1.79 117.98 129.58 3i2j s PHE 468 Ca 0.34 1.09 0.06 0.00 -0.60 0.00 0.00 56.93 57.82 3i2j s PHE 468 Cb -0.14 -2.53 0.75 0.00 0.51 0.00 0.00 43.02 41.62 3i2j s PHE 468 CO 0.14 -0.41 1.77 -1.35 0.70 0.00 0.00 175.22 176.07 3i2j h PRO 469 N 0.26 0.73 0.00 0.24 0.11 -1.88 -1.31 132.00 130.15 3i2j h PRO 469 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i2j h PRO 469 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i2j h PRO 469 CO 0.62 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.50 3i2j n ASP 470 N -4.77 0.44 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.70 3i2j n ASP 470 Ca 0.24 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 55.11 3i2j n ASP 470 Cb 0.58 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3i2j n ASP 470 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i2j n GLY 471 N 0.42 2.30 3.62 6.12 0.00 -0.49 -5.09 105.19 112.07 3i2j n GLY 471 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 3i2j n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2j n ARG 472 N -0.59 1.58 -3.93 1.61 1.74 -1.26 -4.70 116.66 111.10 3i2j n ARG 472 Ca 0.00 0.56 -0.31 0.00 -0.77 0.00 0.00 57.85 57.33 3i2j n ARG 472 Cb 0.00 -2.13 -0.14 0.00 -1.02 0.00 0.00 32.46 29.18 3i2j n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2j s ALA 473 N -0.17 3.26 -0.24 7.54 0.00 -1.26 -0.13 121.76 130.76 3i2j s ALA 473 Ca 0.70 -3.13 -0.20 0.00 0.00 0.00 0.00 51.96 49.33 3i2j s ALA 473 Cb -0.75 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3i2j s ALA 473 CO 0.51 -1.97 0.62 0.42 0.00 0.00 0.00 175.76 175.35 3i2j s ILE 474 N -0.03 5.00 0.24 0.00 -1.09 0.38 -0.64 121.20 125.06 3i2j s ILE 474 Ca 0.16 1.13 -0.31 0.00 -2.23 0.00 0.00 60.65 59.39 3i2j s ILE 474 Cb -0.24 -3.93 -0.11 0.00 -1.58 0.00 0.00 42.46 36.60 3i2j s ILE 474 CO -0.02 0.05 1.65 0.00 -1.23 0.00 0.00 174.94 175.39 3i2j s ALA 475 N 2.34 3.83 0.00 9.38 0.00 -0.79 -0.83 121.76 135.70 3i2j s ALA 475 Ca 0.26 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3i2j s ALA 475 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3i2j s ALA 475 CO 0.09 -0.94 0.00 1.28 0.00 0.00 0.00 175.76 176.19 3i2j n LEU 476 N 3.12 0.00 -4.92 0.00 4.77 0.04 -4.39 117.00 115.62 3i2j n LEU 476 Ca 0.12 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.90 3i2j n LEU 476 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3i2j n LEU 476 CO 0.64 0.00 -0.00 0.00 -1.33 0.00 0.00 177.39 176.69 3i2j s ASP 478 N -4.10 -0.35 0.28 0.00 -4.77 -1.24 -0.62 116.67 105.86 3i2j s ASP 478 Ca 0.44 -0.34 -0.06 0.00 -3.30 0.00 0.00 52.55 49.29 3i2j s ASP 478 Cb -0.07 0.60 0.03 0.00 -1.09 0.00 0.00 42.92 42.38 3i2j s ASP 478 CO 0.29 -1.05 0.48 0.61 0.70 0.00 0.00 175.17 176.19 3i2j n GLY 479 N -0.36 1.79 3.09 2.12 0.00 -0.54 -4.33 105.19 106.96 3i2j n GLY 479 Ca -0.12 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 3i2j n GLY 479 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i2j s ILE 480 N -2.52 0.08 -0.11 -0.61 2.07 -1.26 -2.31 121.20 116.53 3i2j s ILE 480 Ca 0.17 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 3i2j s ILE 480 Cb -0.02 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.18 3i2j s ILE 480 CO 0.12 -0.38 -0.16 0.54 -1.91 0.00 0.00 174.94 173.15 3i2j s VAL 481 N -1.34 1.57 -0.25 4.00 0.11 0.16 -3.81 120.40 120.84 3i2j s VAL 481 Ca -0.14 -0.68 -0.20 0.00 -2.93 0.00 0.00 61.98 58.02 3i2j s VAL 481 Cb -0.08 -1.43 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 3i2j s VAL 481 CO 0.01 0.45 0.62 -0.60 -3.33 0.00 0.00 175.10 172.26 3i2j s ARG 482 N 0.98 4.12 0.38 1.54 3.52 -0.15 -1.22 118.95 128.11 3i2j s ARG 482 Ca -0.06 0.54 0.05 0.00 -0.13 0.00 0.00 55.73 56.12 3i2j s ARG 482 Cb -0.15 -3.64 0.75 0.00 -1.56 0.00 0.00 34.95 30.35 3i2j s ARG 482 CO -0.02 -0.39 2.01 0.52 -0.81 0.00 0.00 175.30 176.62 3i2j h MET 483 N 7.86 0.69 -0.01 5.12 2.86 -1.17 0.19 114.93 130.47 3i2j h MET 483 Ca -0.27 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3i2j h MET 483 Cb 1.13 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 3i2j h MET 483 CO 0.77 0.46 0.02 0.07 1.06 0.00 0.00 176.91 179.29 3i2j h ARG 484 N 0.72 0.00 -0.51 1.72 0.11 -1.82 -1.31 114.38 113.29 3i2j h ARG 484 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 3i2j h ARG 484 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3i2j h ARG 484 CO -0.06 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.67 3i2j n TYR 485 N -3.69 1.68 -0.13 4.08 4.01 0.67 -2.19 117.16 121.59 3i2j n TYR 485 Ca -0.03 -0.73 0.10 0.00 -0.16 0.00 0.00 57.90 57.08 3i2j n TYR 485 Cb 0.10 -0.41 0.44 0.00 -0.31 0.00 0.00 39.34 39.16 3i2j n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3i2j h ARG 486 N 3.48 0.53 0.00 -0.72 0.11 -1.19 -3.13 114.38 113.46 3i2j h ARG 486 Ca 0.00 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.98 3i2j h ARG 486 Cb 1.73 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.68 3i2j h ARG 486 CO 0.37 0.35 -1.69 0.39 0.10 0.00 0.00 179.97 179.50 3i2j n GLU 487 N -4.48 0.90 -3.66 0.08 -0.58 -1.26 -4.75 120.64 106.89 3i2j n GLU 487 Ca 0.10 -0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.61 3i2j n GLU 487 Cb 0.32 -1.32 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 3i2j n GLU 487 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i2j s THR 488 N -2.73 0.00 -0.72 2.62 -1.32 -1.18 -5.02 115.64 107.28 3i2j s THR 488 Ca -0.05 -0.04 0.26 0.00 -1.21 0.00 0.00 61.69 60.65 3i2j s THR 488 Cb 0.07 -0.82 0.24 0.00 -1.51 0.00 0.00 72.50 70.48 3i2j s THR 488 CO 0.54 -0.02 1.70 0.18 -2.21 0.00 0.00 174.62 174.81 3i2j n LEU 489 N 2.36 0.78 -0.08 9.08 4.77 -1.26 -4.29 117.00 128.36 3i2j n LEU 489 Ca -0.15 0.51 -0.23 0.00 -0.03 0.00 0.00 56.01 56.11 3i2j n LEU 489 Cb 0.56 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3i2j n LEU 489 CO 0.11 -0.15 -0.88 0.52 -1.33 0.00 0.00 177.39 175.65 3i2j n VAL 490 N -2.22 1.60 -3.52 4.08 0.31 -1.26 -0.93 118.33 116.39 3i2j n VAL 490 Ca 0.05 -0.35 -0.27 0.00 -0.01 0.00 0.00 64.34 63.76 3i2j n VAL 490 Cb 0.43 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.42 3i2j n VAL 490 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i2j n ASN 491 N -3.97 2.65 -4.75 4.52 3.02 -1.26 -4.68 115.26 110.78 3i2j n ASN 491 Ca -0.38 -3.17 -0.36 0.00 -0.03 0.00 0.00 54.58 50.63 3i2j n ASN 491 Cb 0.87 -0.68 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 3i2j n ASN 491 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2j s PRO 492 N -1.78 2.95 0.06 3.52 0.04 -1.26 -4.82 135.00 133.70 3i2j s PRO 492 Ca 0.34 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3i2j s PRO 492 Cb 0.09 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3i2j s PRO 492 CO -0.09 -1.23 -0.08 0.95 0.04 0.00 0.00 177.00 176.59 3i2j s THR 493 N -1.57 0.64 0.67 1.26 -4.23 -0.93 -5.03 115.64 106.44 3i2j s THR 493 Ca 0.78 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 3i2j s THR 493 Cb -0.31 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3i2j s THR 493 CO 0.34 -0.52 1.02 -0.76 -0.54 0.00 0.00 174.62 174.16 3i2j s LEU 494 N -2.04 3.00 0.29 4.79 1.43 -1.26 -4.23 118.68 120.66 3i2j s LEU 494 Ca -0.03 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.05 3i2j s LEU 494 Cb -0.05 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3i2j s LEU 494 CO -0.01 -1.28 0.32 0.27 0.23 0.00 0.00 176.35 175.88 3i2j s ILE 495 N -3.23 4.33 -0.12 -0.59 -4.36 -0.55 -5.03 121.20 111.66 3i2j s ILE 495 Ca 0.57 -1.21 -0.17 0.00 -0.26 0.00 0.00 60.65 59.58 3i2j s ILE 495 Cb -0.11 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.10 3i2j s ILE 495 CO 0.49 -0.26 0.44 -1.61 0.24 0.00 0.00 174.94 174.23 3i2j s GLU 496 N -3.99 4.29 0.24 0.37 0.41 -1.26 -4.47 118.70 114.29 3i2j s GLU 496 Ca 0.38 0.38 -0.31 0.00 -0.41 0.00 0.00 54.97 55.00 3i2j s GLU 496 Cb -0.08 -3.42 -0.13 0.00 -1.78 0.00 0.00 34.13 28.73 3i2j s GLU 496 CO 0.28 0.21 1.56 0.00 -0.49 0.00 0.00 175.26 176.82 3i2j n ALA 497 N 3.51 1.96 0.00 5.21 0.00 -1.26 -2.63 120.51 127.30 3i2j n ALA 497 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3i2j n ALA 497 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3i2j n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2j n GLY 498 N 2.74 3.12 3.77 0.00 0.00 0.65 -4.99 105.19 110.48 3i2j n GLY 498 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3i2j n GLY 498 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2j s GLU 499 N -0.37 4.63 -0.08 1.61 0.41 -1.08 -4.85 118.70 118.96 3i2j s GLU 499 Ca 0.00 1.37 -0.22 0.00 -0.41 0.00 0.00 54.97 55.72 3i2j s GLU 499 Cb 0.00 -2.89 -0.04 0.00 -1.78 0.00 0.00 34.13 29.42 3i2j s GLU 499 CO 0.00 0.31 0.63 0.42 -0.49 0.00 0.00 175.26 176.13 3i2j s ILE 500 N -1.52 5.08 -0.03 -1.63 1.01 -1.26 -4.44 121.20 118.41 3i2j s ILE 500 Ca 0.48 1.29 0.07 0.00 0.00 0.00 0.00 60.65 62.50 3i2j s ILE 500 Cb -0.20 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 3i2j s ILE 500 CO 0.26 0.28 -0.25 -0.31 0.00 0.00 0.00 174.94 174.92 3i2j s TYR 501 N 0.71 2.37 -0.28 3.97 2.02 0.21 -4.93 117.35 121.43 3i2j s TYR 501 Ca 0.34 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.41 3i2j s TYR 501 Cb -0.17 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3i2j s TYR 501 CO 0.16 -0.03 0.58 -2.00 -1.57 0.00 0.00 175.55 172.68 3i2j s GLU 502 N -0.59 3.99 0.08 -0.62 2.12 -1.26 -0.70 118.70 121.72 3i2j s GLU 502 Ca 0.09 0.33 0.08 0.00 0.36 0.00 0.00 54.97 55.83 3i2j s GLU 502 Cb -0.10 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3i2j s GLU 502 CO -0.01 -0.46 -0.22 0.14 -0.54 0.00 0.00 175.26 174.18 3i2j s VAL 503 N 2.46 1.79 -0.09 3.70 -7.23 0.14 -4.96 120.40 116.22 3i2j s VAL 503 Ca 0.23 -1.44 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 3i2j s VAL 503 Cb -0.15 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3i2j s VAL 503 CO 0.10 0.07 0.24 0.00 -0.31 0.00 0.00 175.10 175.20 3i2j s ALA 504 N -1.00 3.79 -0.17 1.32 0.00 -1.26 -1.21 121.76 123.22 3i2j s ALA 504 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3i2j s ALA 504 Cb -0.10 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.90 3i2j s ALA 504 CO 0.03 0.52 -0.19 0.42 0.00 0.00 0.00 175.76 176.54 3i2j s ILE 505 N -0.89 1.98 -0.41 0.00 1.01 0.15 -4.75 121.20 118.29 3i2j s ILE 505 Ca 0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 3i2j s ILE 505 Cb -0.14 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3i2j s ILE 505 CO 0.07 0.53 0.95 -0.62 0.00 0.00 0.00 174.94 175.86 3i2j s ASP 506 N 1.31 6.61 -0.30 3.58 -1.08 -1.26 -1.14 116.67 124.39 3i2j s ASP 506 Ca 0.05 0.41 0.11 0.00 -0.52 0.00 0.00 52.55 52.59 3i2j s ASP 506 Cb -0.13 -2.47 0.70 0.00 -1.46 0.00 0.00 42.92 39.56 3i2j s ASP 506 CO -0.12 -0.96 1.73 0.23 0.52 0.00 0.00 175.17 176.56 3i2j n MET 507 N 7.01 3.48 0.00 4.34 2.81 -0.09 -4.08 117.12 130.60 3i2j n MET 507 Ca 0.07 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 3i2j n MET 507 Cb 0.48 -2.13 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 3i2j n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i2j n LEU 508 N -0.28 0.00 -3.49 4.03 4.77 -1.22 -3.72 117.00 117.09 3i2j n LEU 508 Ca 0.37 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 3i2j n LEU 508 Cb 1.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.35 3i2j n LEU 508 CO 0.37 0.00 0.33 0.00 -1.33 0.00 0.00 177.39 176.77 3i2j s ALA 509 N -1.16 -1.42 0.25 -1.18 0.00 -1.26 -0.94 121.76 116.04 3i2j s ALA 509 Ca 0.00 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 3i2j s ALA 509 Cb 0.00 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 3i2j s ALA 509 CO 0.00 -0.70 0.50 -0.08 0.00 0.00 0.00 175.76 175.48 3i2j s THR 510 N -3.53 0.00 -0.21 0.00 -1.32 -0.82 -4.73 115.64 105.03 3i2j s THR 510 Ca 0.00 -1.35 -0.05 0.00 -1.21 0.00 0.00 61.69 59.08 3i2j s THR 510 Cb -0.00 -2.16 0.07 0.00 -1.51 0.00 0.00 72.50 68.90 3i2j s THR 510 CO -0.11 -0.01 0.10 -0.55 -2.21 0.00 0.00 174.62 171.85 3i2j s SER 511 N -3.00 2.76 -0.08 8.08 0.15 -1.25 -1.33 113.70 119.03 3i2j s SER 511 Ca 0.21 -0.85 -0.05 0.00 0.70 0.00 0.00 55.95 55.97 3i2j s SER 511 Cb -0.01 -0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3i2j s SER 511 CO 0.08 -0.38 0.20 0.21 1.20 0.00 0.00 173.24 174.55 3i2j s ASN 512 N 2.12 -0.19 -0.31 5.45 2.47 0.34 -1.21 114.94 123.60 3i2j s ASN 512 Ca 0.04 0.41 -0.17 0.00 0.42 0.00 0.00 52.86 53.57 3i2j s ASN 512 Cb -0.16 0.32 -0.02 0.00 -1.45 0.00 0.00 41.25 39.94 3i2j s ASN 512 CO -0.18 -0.14 0.46 -0.69 -3.72 0.00 0.00 177.10 172.82 3i2j s VAL 513 N 1.02 5.09 -0.44 -5.21 1.01 0.31 -0.41 120.40 121.76 3i2j s VAL 513 Ca -0.08 0.45 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 3i2j s VAL 513 Cb -0.09 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3i2j s VAL 513 CO -0.06 -0.05 1.02 -0.36 0.00 0.00 0.00 175.10 175.65 3i2j s PHE 514 N 2.24 2.92 0.61 5.22 0.40 0.23 -4.35 117.98 125.25 3i2j s PHE 514 Ca 0.17 0.64 -0.07 0.00 -0.60 0.00 0.00 56.93 57.07 3i2j s PHE 514 Cb -0.16 -4.09 0.01 0.00 0.51 0.00 0.00 43.02 39.29 3i2j s PHE 514 CO 0.11 -1.10 0.94 -0.51 0.70 0.00 0.00 175.22 175.36 3i2j s LEU 515 N 3.99 3.16 0.31 -0.37 1.43 -1.26 -1.35 118.68 124.60 3i2j s LEU 515 Ca 0.42 0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 54.05 3i2j s LEU 515 Cb -0.09 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 3i2j s LEU 515 CO 0.27 -1.12 1.23 -2.65 0.23 0.00 0.00 176.35 174.30 3i2j n PRO 516 N -2.67 1.90 0.00 1.29 -0.02 -1.26 -1.46 135.00 132.77 3i2j n PRO 516 Ca 0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3i2j n PRO 516 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3i2j n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2j n GLY 517 N 1.07 2.10 3.97 -1.23 0.00 0.52 -4.96 105.19 106.66 3i2j n GLY 517 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3i2j n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2j s HIS 518 N -2.40 3.02 0.10 1.61 3.76 -0.54 -3.92 115.29 116.93 3i2j s HIS 518 Ca 0.00 0.01 0.09 0.00 -0.15 0.00 0.00 55.06 55.01 3i2j s HIS 518 Cb 0.00 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 3i2j s HIS 518 CO 0.00 -0.52 -0.23 1.03 -0.85 0.00 0.00 174.74 174.17 3i2j s ARG 519 N -4.56 1.25 -0.11 1.40 0.52 -0.74 -0.71 118.95 116.00 3i2j s ARG 519 Ca 0.52 -1.18 -0.23 0.00 -0.52 0.00 0.00 55.73 54.32 3i2j s ARG 519 Cb -0.10 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 3i2j s ARG 519 CO 0.37 0.37 0.69 0.42 0.02 0.00 0.00 175.30 177.17 3i2j s ILE 520 N -1.08 5.03 0.11 1.52 1.01 -1.26 -1.73 121.20 124.80 3i2j s ILE 520 Ca 0.09 1.39 0.06 0.00 0.00 0.00 0.00 60.65 62.19 3i2j s ILE 520 Cb -0.10 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3i2j s ILE 520 CO 0.04 0.20 -0.15 -0.32 0.00 0.00 0.00 174.94 174.72 3i2j s MET 521 N 1.18 1.01 -0.05 2.79 -2.45 -0.36 -1.25 119.30 120.16 3i2j s MET 521 Ca 0.35 -1.19 0.02 0.00 -1.25 0.00 0.00 55.69 53.62 3i2j s MET 521 Cb -0.17 -0.94 0.01 0.00 1.25 0.00 0.00 34.83 34.98 3i2j s MET 521 CO 0.15 0.19 -0.09 0.54 1.05 0.00 0.00 175.02 176.86 3i2j s VAL 522 N -1.92 0.90 -0.17 10.11 0.11 -0.14 -1.03 120.40 128.27 3i2j s VAL 522 Ca 0.07 -0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 58.68 3i2j s VAL 522 Cb -0.06 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 3i2j s VAL 522 CO 0.03 0.30 0.12 -1.10 -3.33 0.00 0.00 175.10 171.12 3i2j s GLN 523 N 0.64 3.87 -0.05 1.54 -0.21 0.04 -1.71 119.66 123.78 3i2j s GLN 523 Ca -0.12 -0.21 0.06 0.00 0.02 0.00 0.00 55.36 55.11 3i2j s GLN 523 Cb -0.14 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 3i2j s GLN 523 CO 0.02 0.47 -0.22 0.08 -2.12 0.00 0.00 175.29 173.52 3i2j s VAL 524 N -0.14 1.82 0.00 1.09 1.01 0.79 -0.85 120.40 124.13 3i2j s VAL 524 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3i2j s VAL 524 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3i2j s VAL 524 CO 0.00 0.51 0.00 -0.24 0.00 0.00 0.00 175.10 175.38 3i2j n SER 525 N 2.95 0.00 -0.13 3.32 2.88 -0.95 -0.64 113.62 121.05 3i2j n SER 525 Ca -0.17 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.38 3i2j n SER 525 Cb 0.52 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 3i2j n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i2j n SER 526 N 0.00 0.66 -3.44 -3.46 7.64 -1.26 -0.60 113.62 113.16 3i2j n SER 526 Ca 0.00 -1.67 -0.12 0.00 1.01 0.00 0.00 58.87 58.09 3i2j n SER 526 Cb 0.00 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 3i2j n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2j s SER 527 N -0.76 -0.54 -0.44 6.43 1.04 -1.26 -4.32 113.70 113.84 3i2j s SER 527 Ca 0.04 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.48 3i2j s SER 527 Cb 0.03 0.58 0.19 0.00 0.10 0.00 0.00 66.02 66.93 3i2j s SER 527 CO 0.00 -0.94 0.83 0.21 0.98 0.00 0.00 173.24 174.32 3i2j s ASN 528 N -2.73 -1.10 -0.08 7.02 2.47 -1.24 -4.41 114.94 114.87 3i2j s ASN 528 Ca 0.02 -1.12 0.03 0.00 0.42 0.00 0.00 52.86 52.21 3i2j s ASN 528 Cb -0.01 1.43 -0.02 0.00 -1.45 0.00 0.00 41.25 41.20 3i2j s ASN 528 CO -0.12 -0.06 -0.18 0.12 -3.72 0.00 0.00 177.10 173.14 3i2j s PHE 529 N 1.15 2.64 -0.78 0.43 5.36 -0.27 -0.89 117.98 125.61 3i2j s PHE 529 Ca 0.25 -0.53 0.13 0.00 -0.96 0.00 0.00 56.93 55.82 3i2j s PHE 529 Cb 0.03 -1.69 0.64 0.00 -0.34 0.00 0.00 43.02 41.66 3i2j s PHE 529 CO -0.07 -0.09 1.50 -0.35 -1.46 0.00 0.00 175.22 174.74 3i2j n PRO 530 N 2.93 3.75 -0.19 10.12 -0.04 -1.26 -0.91 135.00 149.40 3i2j n PRO 530 Ca -0.18 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 3i2j n PRO 530 Cb 0.52 -1.97 0.10 0.00 -0.04 0.00 0.00 33.50 32.12 3i2j n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i2j h LYS 531 N 3.33 0.19 -6.58 0.54 1.63 -1.91 -2.28 116.57 111.48 3i2j h LYS 531 Ca 0.00 -0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 59.13 3i2j h LYS 531 Cb 1.49 -0.04 -0.25 0.00 -0.60 0.00 0.00 32.23 32.83 3i2j h LYS 531 CO 0.30 0.12 -0.87 0.71 -3.45 0.00 0.00 179.45 176.27 3i2j s TYR 532 N -6.13 2.16 0.89 1.91 2.02 -0.06 -3.65 117.35 114.49 3i2j s TYR 532 Ca -0.13 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 3i2j s TYR 532 Cb 0.18 -1.26 0.13 0.00 -0.40 0.00 0.00 41.96 40.61 3i2j s TYR 532 CO 0.74 0.17 1.11 0.16 -1.57 0.00 0.00 175.55 176.16 3i2j s ASP 533 N -1.44 3.26 -0.00 2.29 -4.77 -0.12 -4.14 116.67 111.75 3i2j s ASP 533 Ca 0.11 1.95 -0.24 0.00 -3.30 0.00 0.00 52.55 51.06 3i2j s ASP 533 Cb -0.10 -2.49 -0.05 0.00 -1.09 0.00 0.00 42.92 39.20 3i2j s ASP 533 CO 0.03 -2.85 0.73 -0.13 0.70 0.00 0.00 175.17 173.65 3i2j s ARG 534 N -4.74 4.45 0.18 2.11 0.52 -1.26 -4.83 118.95 115.38 3i2j s ARG 534 Ca 0.65 0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 56.53 3i2j s ARG 534 Cb -0.21 -3.40 -0.08 0.00 0.52 0.00 0.00 34.95 31.78 3i2j s ARG 534 CO 0.58 0.20 1.27 1.21 0.02 0.00 0.00 175.30 178.58 3i2j s ASN 535 N 0.28 6.96 0.03 0.23 3.84 -1.26 -4.92 114.94 120.10 3i2j s ASN 535 Ca 0.38 2.32 0.28 0.00 0.21 0.00 0.00 52.86 56.04 3i2j s ASN 535 Cb -0.19 -2.60 1.15 0.00 -0.55 0.00 0.00 41.25 39.05 3i2j s ASN 535 CO 0.21 -0.49 1.88 -1.54 -2.79 0.00 0.00 177.10 174.37 3i2j n SER 536 N 2.79 0.10 -1.98 -4.21 3.41 -1.26 -4.71 113.62 107.76 3i2j n SER 536 Ca 0.06 0.51 -0.20 0.00 -0.26 0.00 0.00 58.87 58.98 3i2j n SER 536 Cb 0.44 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3i2j n SER 536 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i2j n ASN 537 N -1.59 -5.57 -0.01 4.04 3.02 -1.26 -1.43 115.26 112.45 3i2j n ASN 537 Ca 0.07 0.18 0.02 0.00 -0.03 0.00 0.00 54.58 54.81 3i2j n ASN 537 Cb 0.34 -4.68 -0.06 0.00 -0.61 0.00 0.00 39.78 34.77 3i2j n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i2j n THR 538 N -3.41 0.16 -0.86 3.41 -2.24 -1.26 -4.45 114.28 105.63 3i2j n THR 538 Ca -0.22 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3i2j n THR 538 Cb 0.67 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3i2j n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2j n GLY 539 N 2.19 0.79 1.14 3.38 0.00 -1.26 -4.82 105.19 106.61 3i2j n GLY 539 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3i2j n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2j n GLY 540 N -2.34 -0.93 3.53 -0.02 0.00 -1.26 -4.96 105.19 99.21 3i2j n GLY 540 Ca 0.00 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 3i2j n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2j s VAL 541 N -1.68 3.92 0.20 1.61 1.01 -1.26 -4.91 120.40 119.29 3i2j s VAL 541 Ca 0.22 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3i2j s VAL 541 Cb -0.01 -4.91 0.17 0.00 0.00 0.00 0.00 36.38 31.63 3i2j s VAL 541 CO 0.15 -1.80 1.67 0.40 0.00 0.00 0.00 175.10 175.52 3i2j h ILE 542 N 6.21 0.53 0.00 2.22 2.04 -1.96 -0.44 117.51 126.11 3i2j h ILE 542 Ca -0.13 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i2j h ILE 542 Cb 1.04 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3i2j h ILE 542 CO 1.29 0.02 0.00 0.00 0.00 0.00 0.00 178.15 179.46 3i2j n ALA 543 N -2.77 1.55 0.63 1.87 0.00 -1.26 -2.19 120.51 118.33 3i2j n ALA 543 Ca 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.58 3i2j n ALA 543 Cb 0.30 -1.22 0.11 0.00 0.00 0.00 0.00 19.45 18.65 3i2j n ALA 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i2j n ARG 544 N -1.60 1.84 -3.54 0.00 5.12 -0.18 -1.04 116.66 117.26 3i2j n ARG 544 Ca 0.03 -1.77 -0.38 0.00 -1.93 0.00 0.00 57.85 53.80 3i2j n ARG 544 Cb 0.15 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.00 3i2j n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3i2j s GLU 545 N -1.51 3.88 0.44 5.56 2.02 -0.93 -4.80 118.70 123.36 3i2j s GLU 545 Ca 0.25 0.34 -0.22 0.00 0.02 0.00 0.00 54.97 55.36 3i2j s GLU 545 Cb 0.17 -3.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 3i2j s GLU 545 CO 0.25 0.68 1.05 -0.65 0.02 0.00 0.00 175.26 176.61 3i2j s GLN 546 N -0.99 3.99 0.26 1.61 -1.52 -1.26 -4.08 119.66 117.67 3i2j s GLN 546 Ca 0.23 1.47 -0.01 0.00 -1.95 0.00 0.00 55.36 55.09 3i2j s GLN 546 Cb -0.16 -2.35 0.51 0.00 -0.22 0.00 0.00 33.01 30.79 3i2j s GLN 546 CO 0.12 -0.28 1.78 1.25 -0.25 0.00 0.00 175.29 177.91 3i2j h LEU 547 N 2.10 0.63 -1.93 2.90 5.85 -1.96 -0.44 115.31 122.45 3i2j h LEU 547 Ca -0.49 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3i2j h LEU 547 Cb 1.22 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3i2j h LEU 547 CO 0.61 0.30 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.86 3i2j h GLU 548 N 0.72 0.00 0.00 1.25 4.57 -2.00 -1.78 114.58 117.35 3i2j h GLU 548 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3i2j h GLU 548 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3i2j h GLU 548 CO -0.32 0.07 0.00 0.93 -1.18 0.00 0.00 179.01 178.51 3i2j h GLU 549 N 0.00 0.00 -7.37 1.92 5.08 -1.45 -3.46 114.58 109.29 3i2j h GLU 549 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3i2j h GLU 549 Cb 0.35 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.69 3i2j h GLU 549 CO 0.01 0.00 0.39 -1.64 -1.00 0.00 0.00 179.01 176.77 3i2j s MET 550 N -3.22 3.07 0.21 2.33 -1.94 -0.67 -4.98 119.30 114.09 3i2j s MET 550 Ca 0.08 0.79 0.11 0.00 -1.71 0.00 0.00 55.69 54.96 3i2j s MET 550 Cb 0.09 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.87 3i2j s MET 550 CO 0.60 -0.96 -0.20 0.00 -0.01 0.00 0.00 175.02 174.44 3i2j s THR 552 N -1.83 4.21 -0.02 0.00 -4.23 -1.26 -4.47 115.64 108.03 3i2j s THR 552 Ca 0.23 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 3i2j s THR 552 Cb -0.08 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.12 3i2j s THR 552 CO 0.12 -0.94 -0.02 0.00 -0.54 0.00 0.00 174.62 173.24 3i2j s ALA 553 N -3.20 0.40 -0.42 3.99 0.00 -0.17 -4.89 121.76 117.47 3i2j s ALA 553 Ca 0.57 -0.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 3i2j s ALA 553 Cb -0.12 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.77 3i2j s ALA 553 CO 0.54 0.00 0.73 0.08 0.00 0.00 0.00 175.76 177.11 3i2j s VAL 554 N 0.58 4.74 0.05 0.00 1.01 -1.26 -0.11 120.40 125.40 3i2j s VAL 554 Ca -0.06 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3i2j s VAL 554 Cb -0.09 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3i2j s VAL 554 CO -0.01 -0.60 -0.05 0.20 0.00 0.00 0.00 175.10 174.65 3i2j s ASN 555 N 2.02 4.76 -0.01 3.32 0.02 -0.01 -1.82 114.94 123.22 3i2j s ASN 555 Ca 0.27 -0.19 0.02 0.00 -1.02 0.00 0.00 52.86 51.94 3i2j s ASN 555 Cb -0.13 -1.10 0.00 0.00 0.02 0.00 0.00 41.25 40.04 3i2j s ASN 555 CO 0.20 0.23 -0.06 -0.13 0.02 0.00 0.00 177.10 177.36 3i2j s ARG 556 N -1.87 0.54 -0.22 -0.60 0.52 -0.00 -1.28 118.95 116.03 3i2j s ARG 556 Ca 0.21 -0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.17 3i2j s ARG 556 Cb -0.11 -0.54 -0.02 0.00 0.52 0.00 0.00 34.95 34.80 3i2j s ARG 556 CO 0.12 0.09 0.01 0.42 0.02 0.00 0.00 175.30 175.96 3i2j s ILE 557 N 0.06 3.87 -0.10 1.52 -1.09 0.04 -1.56 121.20 123.94 3i2j s ILE 557 Ca -0.00 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 57.98 3i2j s ILE 557 Cb -0.05 -2.78 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 3i2j s ILE 557 CO -0.00 0.39 0.25 -1.00 -1.23 0.00 0.00 174.94 173.36 3i2j s HIS 558 N 1.39 3.60 -0.11 3.97 3.76 0.47 -1.28 115.29 127.09 3i2j s HIS 558 Ca 0.05 0.67 -0.08 0.00 -0.15 0.00 0.00 55.06 55.55 3i2j s HIS 558 Cb -0.15 -2.15 0.04 0.00 1.11 0.00 0.00 32.58 31.43 3i2j s HIS 558 CO 0.01 0.57 0.27 -0.98 -0.85 0.00 0.00 174.74 173.76 3i2j s ARG 559 N -0.64 0.28 0.00 1.40 1.70 -0.19 -4.25 118.95 117.25 3i2j s ARG 559 Ca 0.18 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.90 3i2j s ARG 559 Cb -0.14 0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 3i2j s ARG 559 CO 0.06 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.60 3i2j n GLY 560 N 3.53 -0.69 0.31 3.88 0.00 -0.85 -0.17 105.19 111.21 3i2j n GLY 560 Ca -0.18 -1.31 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 3i2j n GLY 560 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i2j h PRO 561 N 0.89 1.04 0.00 1.61 0.11 -1.80 -2.65 132.00 131.21 3i2j h PRO 561 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3i2j h PRO 561 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 3i2j h PRO 561 CO 0.00 0.69 -0.72 0.39 -0.21 0.00 0.00 178.00 178.15 3i2j n GLU 562 N -4.54 0.25 -3.34 1.05 -0.58 -1.26 -4.34 120.64 107.88 3i2j n GLU 562 Ca 0.09 0.05 -0.26 0.00 -0.42 0.00 0.00 57.16 56.62 3i2j n GLU 562 Cb 0.04 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.20 3i2j n GLU 562 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i2j n HIS 563 N -1.98 1.69 -1.47 -0.32 8.25 -1.14 -5.03 115.22 115.21 3i2j n HIS 563 Ca 0.03 -3.87 -0.40 0.00 -0.26 0.00 0.00 57.72 53.22 3i2j n HIS 563 Cb 0.42 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 3i2j n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i2j n PRO 564 N 1.21 2.85 -1.64 -0.41 -0.04 -1.01 -2.01 135.00 133.95 3i2j n PRO 564 Ca 0.26 -2.32 -0.46 0.00 -0.04 0.00 0.00 63.50 60.94 3i2j n PRO 564 Cb 0.46 -3.05 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 3i2j n PRO 564 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i2j n SER 565 N 5.48 2.29 -3.61 3.54 7.64 -1.26 -4.92 113.62 122.78 3i2j n SER 565 Ca 0.58 1.14 -0.11 0.00 1.01 0.00 0.00 58.87 61.50 3i2j n SER 565 Cb 0.33 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 3i2j n SER 565 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3i2j s HIS 566 N -0.10 -0.27 -0.09 1.43 -3.43 -0.10 -1.60 115.29 111.13 3i2j s HIS 566 Ca 0.70 -0.02 -0.05 0.00 -0.80 0.00 0.00 55.06 54.88 3i2j s HIS 566 Cb -0.72 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 30.79 3i2j s HIS 566 CO 0.50 -0.82 0.14 -1.50 -2.00 0.00 0.00 174.74 171.06 3i2j s ILE 567 N -3.81 5.37 -0.36 -5.38 2.07 -0.43 -0.62 121.20 118.04 3i2j s ILE 567 Ca 0.04 0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.23 3i2j s ILE 567 Cb -0.00 -3.37 -0.00 0.00 0.13 0.00 0.00 42.46 39.21 3i2j s ILE 567 CO -0.09 0.55 0.25 -0.69 -1.91 0.00 0.00 174.94 173.05 3i2j s VAL 568 N -1.09 5.15 -0.18 4.00 1.01 0.10 -0.18 120.40 129.21 3i2j s VAL 568 Ca 0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3i2j s VAL 568 Cb -0.12 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3i2j s VAL 568 CO 0.07 -0.11 0.07 -0.76 0.00 0.00 0.00 175.10 174.37 3i2j s LEU 569 N 1.68 3.87 -1.08 3.92 1.43 -0.20 -3.36 118.68 124.95 3i2j s LEU 569 Ca 0.05 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 3i2j s LEU 569 Cb -0.18 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3i2j s LEU 569 CO 0.10 0.19 1.72 -2.16 0.23 0.00 0.00 176.35 176.42 3i2j s PRO 570 N 0.30 3.24 0.00 1.29 0.04 -1.26 -0.70 135.00 137.91 3i2j s PRO 570 Ca 0.04 -1.12 -0.30 0.00 0.04 0.00 0.00 61.00 59.66 3i2j s PRO 570 Cb -0.12 -5.31 -0.03 0.00 0.04 0.00 0.00 34.50 29.08 3i2j s PRO 570 CO -0.00 -2.80 1.02 0.42 0.04 0.00 0.00 177.00 175.68 3i2j s ILE 571 N 7.07 4.72 -0.12 0.56 -1.09 -0.32 -1.35 121.20 130.67 3i2j s ILE 571 Ca 0.57 1.96 0.01 0.00 -2.23 0.00 0.00 60.65 60.96 3i2j s ILE 571 Cb -0.01 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3i2j s ILE 571 CO 0.00 0.14 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.06 3i2j s ILE 572 N 1.07 2.69 -0.17 2.92 -1.09 -0.50 -1.22 121.20 124.91 3i2j s ILE 572 Ca 0.53 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 3i2j s ILE 572 Cb -0.22 -2.10 0.02 0.00 -1.58 0.00 0.00 42.46 38.57 3i2j s ILE 572 CO 0.28 0.54 -0.20 -0.75 -1.23 0.00 0.00 174.94 173.57 3i2j s LYS 573 N 0.35 3.02 0.21 2.79 2.47 -1.26 -3.97 119.74 123.35 3i2j s LYS 573 Ca -0.14 -0.83 0.02 0.00 -1.56 0.00 0.00 55.97 53.46 3i2j s LYS 573 Cb -0.17 -2.54 -0.05 0.00 -1.46 0.00 0.00 37.83 33.62 3i2j s LYS 573 CO 0.07 -0.14 0.04 1.03 0.16 0.00 0.00 175.35 176.51 3i2j s ARG 574 N 1.12 1.23 0.00 4.03 0.52 -1.26 -5.13 118.95 119.46 3i2j s ARG 574 Ca 0.01 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 3i2j s ARG 574 Cb -0.14 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.05 3i2j s ARG 574 CO -0.09 -0.19 0.00 1.63 0.02 0.00 0.00 175.30 176.67