#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2h s ASP 3 N 0.00 6.66 0.00 4.52 1.11 -1.26 -2.06 116.67 125.64 3i2h s ASP 3 Ca 0.00 2.41 0.00 0.00 0.18 0.00 0.00 52.55 55.14 3i2h s ASP 3 Cb 0.00 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.43 3i2h s ASP 3 CO 0.00 -0.84 0.00 0.61 1.18 0.00 0.00 175.17 176.12 3i2h n GLY 4 N 3.90 0.50 3.92 0.21 0.00 -1.22 -5.08 105.19 107.41 3i2h n GLY 4 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3i2h n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2h s ASN 5 N -1.88 6.40 0.26 1.61 -0.87 -0.87 -4.67 114.94 114.91 3i2h s ASN 5 Ca 0.00 0.43 -0.16 0.00 -1.57 0.00 0.00 52.86 51.56 3i2h s ASN 5 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 41.25 39.21 3i2h s ASN 5 CO 0.00 -0.03 0.56 -0.72 -2.57 0.00 0.00 177.10 174.34 3i2h s TYR 6 N -1.84 0.18 0.18 2.20 1.13 -1.26 -1.24 117.35 116.70 3i2h s TYR 6 Ca 0.39 -0.57 0.07 0.00 -1.41 0.00 0.00 57.07 55.55 3i2h s TYR 6 Cb -0.11 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 3i2h s TYR 6 CO 0.29 -1.08 -0.14 -1.54 -2.51 0.00 0.00 175.55 170.56 3i2h s SER 7 N -2.99 2.45 -0.11 -0.18 1.04 -0.27 -4.88 113.70 108.76 3i2h s SER 7 Ca 0.19 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3i2h s SER 7 Cb -0.02 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.00 3i2h s SER 7 CO 0.08 -0.17 -0.10 -0.69 0.98 0.00 0.00 173.24 173.35 3i2h s VAL 8 N -2.80 1.13 -0.20 5.02 1.01 -1.26 -1.13 120.40 122.18 3i2h s VAL 8 Ca 0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3i2h s VAL 8 Cb -0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3i2h s VAL 8 CO 0.06 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.49 3i2h s ALA 9 N 1.41 2.86 -0.05 5.51 0.00 -0.44 -4.96 121.76 126.09 3i2h s ALA 9 Ca -0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3i2h s ALA 9 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3i2h s ALA 9 CO -0.05 -0.19 0.16 -1.12 0.00 0.00 0.00 175.76 174.55 3i2h s SER 10 N 1.08 6.31 -1.34 0.00 0.01 -1.26 -0.70 113.70 117.81 3i2h s SER 10 Ca 0.01 0.37 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 3i2h s SER 10 Cb -0.15 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3i2h s SER 10 CO 0.00 0.32 0.98 0.59 0.41 0.00 0.00 173.24 175.54 3i2h n ASN 11 N 1.33 -3.67 -4.68 2.44 3.02 -0.88 -4.97 115.26 107.85 3i2h n ASN 11 Ca -0.14 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 3i2h n ASN 11 Cb 0.53 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 3i2h n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i2h s VAL 12 N -3.41 4.16 -0.27 2.41 1.01 -0.03 -4.80 120.40 119.46 3i2h s VAL 12 Ca 0.31 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 3i2h s VAL 12 Cb -0.14 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3i2h s VAL 12 CO 0.77 -0.03 0.41 -0.04 0.00 0.00 0.00 175.10 176.21 3i2h s MET 13 N 2.54 4.00 -0.27 2.72 1.00 -1.26 -0.80 119.30 127.23 3i2h s MET 13 Ca 0.57 0.08 -0.07 0.00 0.00 0.00 0.00 55.69 56.28 3i2h s MET 13 Cb -0.25 -3.66 -0.01 0.00 0.00 0.00 0.00 34.83 30.91 3i2h s MET 13 CO 0.21 -0.31 0.07 0.08 0.00 0.00 0.00 175.02 175.07 3i2h s VAL 14 N 2.13 4.03 0.07 -6.03 1.01 -0.04 -4.89 120.40 116.68 3i2h s VAL 14 Ca 0.16 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3i2h s VAL 14 Cb -0.16 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3i2h s VAL 14 CO 0.10 0.20 1.11 -2.16 0.00 0.00 0.00 175.10 174.35 3i2h s PRO 15 N 1.54 4.51 0.74 2.72 0.04 -1.26 -0.52 135.00 142.77 3i2h s PRO 15 Ca 0.04 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 3i2h s PRO 15 Cb -0.16 -3.37 0.10 0.00 0.04 0.00 0.00 34.50 31.11 3i2h s PRO 15 CO 0.02 -0.12 1.05 -1.64 0.04 0.00 0.00 177.00 176.35 3i2h s MET 16 N 0.74 1.80 0.56 4.56 -1.94 0.48 -4.91 119.30 120.59 3i2h s MET 16 Ca 0.55 -0.54 0.24 0.00 -1.71 0.00 0.00 55.69 54.23 3i2h s MET 16 Cb -0.27 -2.18 1.53 0.00 2.01 0.00 0.00 34.83 35.93 3i2h s MET 16 CO 0.30 -1.47 2.13 0.07 -0.01 0.00 0.00 175.02 176.05 3i2h h ARG 17 N -0.72 0.00 -0.27 2.03 0.11 -1.92 -0.51 114.38 113.10 3i2h h ARG 17 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 3i2h h ARG 17 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3i2h h ARG 17 CO 0.50 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.17 3i2h n ASP 18 N -4.14 2.36 0.00 0.08 5.75 -1.26 -4.94 116.55 114.40 3i2h n ASP 18 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 3i2h n ASP 18 Cb 0.24 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3i2h n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2h n GLY 19 N 1.27 1.91 3.72 6.12 0.00 -0.20 -5.03 105.19 112.97 3i2h n GLY 19 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3i2h n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2h s VAL 20 N -2.38 3.29 -0.19 1.61 1.01 -1.26 -4.66 120.40 117.82 3i2h s VAL 20 Ca 0.00 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 3i2h s VAL 20 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3i2h s VAL 20 CO 0.00 0.08 0.14 -0.13 0.00 0.00 0.00 175.10 175.19 3i2h s ARG 21 N 0.94 4.15 -0.14 2.72 0.52 -1.26 -0.39 118.95 125.49 3i2h s ARG 21 Ca 0.63 -0.20 -0.05 0.00 -0.52 0.00 0.00 55.73 55.59 3i2h s ARG 21 Cb -0.37 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 3i2h s ARG 21 CO 0.31 0.33 0.05 -0.51 0.02 0.00 0.00 175.30 175.50 3i2h s LEU 22 N 0.28 3.79 0.07 2.53 1.02 0.32 -1.12 118.68 125.58 3i2h s LEU 22 Ca 0.09 0.15 -0.28 0.00 0.02 0.00 0.00 54.13 54.10 3i2h s LEU 22 Cb -0.11 -1.92 -0.05 0.00 0.02 0.00 0.00 46.19 44.12 3i2h s LEU 22 CO -0.01 0.27 0.89 0.00 0.02 0.00 0.00 176.35 177.52 3i2h s ALA 23 N -0.23 3.28 0.12 4.21 0.00 -1.26 -0.86 121.76 127.02 3i2h s ALA 23 Ca 0.07 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.56 3i2h s ALA 23 Cb -0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3i2h s ALA 23 CO 0.02 -0.02 -0.14 0.14 0.00 0.00 0.00 175.76 175.75 3i2h s VAL 24 N 0.10 1.34 -0.10 0.00 -7.23 0.02 -1.27 120.40 113.26 3i2h s VAL 24 Ca 0.45 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 3i2h s VAL 24 Cb -0.22 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 3i2h s VAL 24 CO 0.27 -0.40 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.80 3i2h s ASP 25 N -2.43 4.78 -0.27 4.85 1.01 0.11 -0.85 116.67 123.87 3i2h s ASP 25 Ca 0.09 -0.04 -0.06 0.00 0.71 0.00 0.00 52.55 53.25 3i2h s ASP 25 Cb -0.05 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.44 3i2h s ASP 25 CO 0.03 0.29 0.04 -0.76 0.21 0.00 0.00 175.17 174.99 3i2h s LEU 26 N -0.39 3.55 -0.48 1.23 1.43 0.13 -1.79 118.68 122.35 3i2h s LEU 26 Ca 0.06 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 3i2h s LEU 26 Cb -0.12 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.34 3i2h s LEU 26 CO 0.02 -0.13 0.39 -0.31 0.23 0.00 0.00 176.35 176.56 3i2h s TYR 27 N 1.50 3.27 -0.12 0.29 1.51 0.60 -1.33 117.35 123.07 3i2h s TYR 27 Ca 0.04 -1.14 0.03 0.00 -1.01 0.00 0.00 57.07 54.99 3i2h s TYR 27 Cb -0.16 -3.28 0.00 0.00 -0.11 0.00 0.00 41.96 38.41 3i2h s TYR 27 CO 0.01 -0.86 -0.23 1.03 -1.11 0.00 0.00 175.55 174.39 3i2h s ARG 28 N 1.59 3.03 0.49 -0.62 0.52 -0.28 -0.78 118.95 122.91 3i2h s ARG 28 Ca 0.04 -0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 54.16 3i2h s ARG 28 Cb -0.25 -2.36 -0.07 0.00 0.52 0.00 0.00 34.95 32.79 3i2h s ARG 28 CO 0.05 0.09 1.17 -1.25 0.02 0.00 0.00 175.30 175.38 3i2h s PRO 29 N 0.55 3.57 -0.43 3.54 0.04 -1.26 -1.11 135.00 139.89 3i2h s PRO 29 Ca -0.14 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 3i2h s PRO 29 Cb -0.17 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 3i2h s PRO 29 CO 0.04 -0.71 1.91 -0.51 0.04 0.00 0.00 177.00 177.77 3i2h s ASP 30 N -1.45 5.51 -0.05 6.66 1.01 -0.38 -4.85 116.67 123.12 3i2h s ASP 30 Ca 0.67 1.02 -0.00 0.00 0.71 0.00 0.00 52.55 54.95 3i2h s ASP 30 Cb -0.28 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.15 3i2h s ASP 30 CO 0.33 -2.06 0.01 0.00 0.21 0.00 0.00 175.17 173.66 3i2h s ALA 31 N 8.24 0.45 -0.06 5.23 0.00 -1.26 -4.07 121.76 130.28 3i2h s ALA 31 Ca 0.79 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 3i2h s ALA 31 Cb -0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3i2h s ALA 31 CO 0.29 -0.25 1.17 -0.51 0.00 0.00 0.00 175.76 176.46 3i2h s ASP 32 N 1.49 7.08 0.00 0.00 1.01 -1.26 -4.86 116.67 120.13 3i2h s ASP 32 Ca -0.03 1.77 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3i2h s ASP 32 Cb -0.13 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3i2h s ASP 32 CO -0.03 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.40 3i2h n GLY 33 N 3.32 -1.46 3.74 0.21 0.00 -1.26 -5.01 105.19 104.74 3i2h n GLY 33 Ca 0.11 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3i2h n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i2h s PRO 34 N -4.22 2.07 0.16 1.61 0.04 -1.26 -5.00 135.00 128.40 3i2h s PRO 34 Ca 0.00 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.43 3i2h s PRO 34 Cb 0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 3i2h s PRO 34 CO 0.00 -1.81 -0.09 0.14 0.04 0.00 0.00 177.00 175.28 3i2h s VAL 35 N -2.67 1.17 0.63 -0.36 -7.23 0.35 -4.61 120.40 107.68 3i2h s VAL 35 Ca 0.65 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 3i2h s VAL 35 Cb -0.20 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 3i2h s VAL 35 CO 0.53 -0.69 1.14 -2.16 -0.31 0.00 0.00 175.10 173.61 3i2h s PRO 36 N -3.76 2.86 -0.01 4.82 0.04 -1.26 -0.87 135.00 136.81 3i2h s PRO 36 Ca 0.18 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.82 3i2h s PRO 36 Cb 0.03 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 3i2h s PRO 36 CO 0.02 -1.24 -0.11 0.08 0.04 0.00 0.00 177.00 175.79 3i2h s VAL 37 N -2.04 0.92 -0.10 -0.36 1.01 -0.46 -1.23 120.40 118.15 3i2h s VAL 37 Ca 0.71 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3i2h s VAL 37 Cb -0.24 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3i2h s VAL 37 CO 0.37 0.27 -0.16 -0.76 0.00 0.00 0.00 175.10 174.82 3i2h s LEU 38 N -0.14 2.58 -0.07 3.92 1.43 0.80 -0.32 118.68 126.88 3i2h s LEU 38 Ca 0.02 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3i2h s LEU 38 Cb -0.06 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3i2h s LEU 38 CO -0.00 0.22 -0.13 -0.22 0.23 0.00 0.00 176.35 176.45 3i2h s LEU 39 N 0.01 2.77 -0.09 1.79 2.96 0.20 -0.29 118.68 126.03 3i2h s LEU 39 Ca -0.05 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3i2h s LEU 39 Cb -0.14 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3i2h s LEU 39 CO 0.04 0.30 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.56 3i2h s VAL 40 N -0.46 1.26 -0.23 1.68 1.01 0.02 -3.43 120.40 120.25 3i2h s VAL 40 Ca 0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3i2h s VAL 40 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3i2h s VAL 40 CO 0.02 0.39 -0.01 -0.13 0.00 0.00 0.00 175.10 175.37 3i2h s ARG 41 N 0.95 3.47 -0.09 2.72 0.52 -1.26 -0.95 118.95 124.31 3i2h s ARG 41 Ca -0.09 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.54 3i2h s ARG 41 Cb -0.15 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.25 3i2h s ARG 41 CO -0.00 -0.18 -0.05 1.21 0.02 0.00 0.00 175.30 176.29 3i2h s ASN 42 N 1.48 1.78 0.00 0.23 3.04 0.00 -4.15 114.94 117.33 3i2h s ASN 42 Ca 0.06 -0.21 0.13 0.00 0.04 0.00 0.00 52.86 52.87 3i2h s ASN 42 Cb -0.14 -0.67 0.39 0.00 -1.54 0.00 0.00 41.25 39.29 3i2h s ASN 42 CO -0.01 -0.11 1.32 -0.81 -3.04 0.00 0.00 177.10 174.44 3i2h n PRO 43 N 4.74 1.89 -0.63 0.43 -0.04 -1.26 -1.97 135.00 138.15 3i2h n PRO 43 Ca -0.14 -1.38 0.03 0.00 -0.04 0.00 0.00 63.50 61.98 3i2h n PRO 43 Cb 0.50 -1.31 0.20 0.00 -0.04 0.00 0.00 33.50 32.85 3i2h n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i2h n TYR 44 N 0.61 0.32 -1.22 0.54 4.01 -1.26 -4.95 117.16 115.21 3i2h n TYR 44 Ca 0.13 -1.50 -0.00 0.00 -0.16 0.00 0.00 57.90 56.37 3i2h n TYR 44 Cb 0.33 -0.31 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3i2h n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3i2h n ASP 45 N -1.13 -2.13 0.06 7.72 -0.08 -1.26 -4.65 116.55 115.08 3i2h n ASP 45 Ca 0.23 0.05 0.19 0.00 -1.51 0.00 0.00 54.79 53.75 3i2h n ASP 45 Cb 0.79 -1.13 0.71 0.00 2.34 0.00 0.00 41.12 43.83 3i2h n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3i2h h LYS 46 N 0.13 0.00 -0.09 -0.67 2.10 -1.84 -0.40 116.57 115.80 3i2h h LYS 46 Ca -0.01 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 3i2h h LYS 46 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 3i2h h LYS 46 CO 0.00 0.00 -0.23 0.74 -2.00 0.00 0.00 179.45 177.96 3i2h h PHE 47 N 0.00 0.17 -1.33 0.07 0.04 -1.95 -3.36 116.94 110.59 3i2h h PHE 47 Ca 0.20 -0.03 -0.75 0.00 2.80 0.00 0.00 57.97 60.20 3i2h h PHE 47 Cb 0.86 -0.05 -0.14 0.00 2.20 0.00 0.00 35.95 38.82 3i2h h PHE 47 CO 0.00 0.39 2.06 -3.47 -0.60 0.00 0.00 178.31 176.69 3i2h n ASP 48 N -4.20 4.98 0.16 2.17 -0.08 -0.16 -4.73 116.55 114.69 3i2h n ASP 48 Ca -0.01 -3.07 0.02 0.00 -1.51 0.00 0.00 54.79 50.22 3i2h n ASP 48 Cb 0.33 -1.51 0.25 0.00 2.34 0.00 0.00 41.12 42.53 3i2h n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3i2h h VAL 49 N 3.90 1.14 0.00 5.18 -1.51 -1.80 -3.05 116.25 120.12 3i2h h VAL 49 Ca 0.40 -1.82 -0.03 0.00 -1.23 0.00 0.00 66.70 64.02 3i2h h VAL 49 Cb 0.66 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 3i2h h VAL 49 CO 1.61 0.48 -0.13 -0.26 -1.23 0.00 0.00 177.57 178.03 3i2h h PHE 50 N 0.00 0.00 -0.79 5.19 0.04 -1.96 -2.41 116.94 117.01 3i2h h PHE 50 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3i2h h PHE 50 Cb 1.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.12 3i2h h PHE 50 CO 0.00 0.13 0.36 0.00 -0.60 0.00 0.00 178.31 178.21 3i2h h ALA 51 N 1.87 1.15 0.00 2.45 0.00 -1.94 -3.34 119.26 119.45 3i2h h ALA 51 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3i2h h ALA 51 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3i2h h ALA 51 CO 0.02 0.63 -1.43 -2.67 0.00 0.00 0.00 179.25 175.80 3i2h n TRP 52 N -4.30 0.00 0.21 0.00 4.27 -1.22 -4.75 117.44 111.63 3i2h n TRP 52 Ca 0.08 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.73 3i2h n TRP 52 Cb 0.15 -0.25 0.44 0.00 -1.36 0.00 0.00 31.31 30.29 3i2h n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3i2h h SER 53 N 0.00 0.00 0.62 -0.67 0.02 -1.54 -0.92 113.55 111.05 3i2h h SER 53 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3i2h h SER 53 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3i2h h SER 53 CO 0.00 0.28 0.00 0.35 -1.14 0.00 0.00 176.83 176.33 3i2h n THR 54 N -4.12 0.90 -0.06 -2.27 -2.24 -1.26 -1.19 114.28 104.04 3i2h n THR 54 Ca -0.02 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 3i2h n THR 54 Cb 0.34 -1.19 0.29 0.00 -2.10 0.00 0.00 70.33 67.66 3i2h n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2h n GLN 55 N -2.11 2.51 0.00 -0.78 3.00 -0.35 -4.83 117.38 114.82 3i2h n GLN 55 Ca 0.02 -2.34 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 3i2h n GLN 55 Cb 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.93 3i2h n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i2h n SER 56 N 1.41 0.00 -3.57 1.08 2.88 -0.34 -4.87 113.62 110.22 3i2h n SER 56 Ca 0.22 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.62 3i2h n SER 56 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 3i2h n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2h s THR 57 N 0.00 0.03 -1.38 2.46 -4.23 -0.98 -4.73 115.64 106.82 3i2h s THR 57 Ca 0.00 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 3i2h s THR 57 Cb 0.00 -0.98 0.10 0.00 1.34 0.00 0.00 72.50 72.95 3i2h s THR 57 CO 0.00 -0.13 2.10 0.59 -0.54 0.00 0.00 174.62 176.64 3i2h n ASN 58 N 0.35 4.86 0.02 3.99 3.02 -1.26 -4.75 115.26 121.49 3i2h n ASN 58 Ca -0.18 -2.97 0.08 0.00 -0.03 0.00 0.00 54.58 51.48 3i2h n ASN 58 Cb 0.61 -1.55 0.37 0.00 -0.61 0.00 0.00 39.78 38.59 3i2h n ASN 58 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 3i2h n TRP 59 N 4.72 0.13 0.29 3.10 4.27 -1.26 -1.34 117.44 127.34 3i2h n TRP 59 Ca 0.48 0.05 0.16 0.00 -3.89 0.00 0.00 57.50 54.29 3i2h n TRP 59 Cb 0.36 -0.58 0.89 0.00 -1.36 0.00 0.00 31.31 30.62 3i2h n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3i2h h LEU 60 N 0.00 0.00 -1.85 5.67 3.38 -2.01 -0.82 115.31 119.68 3i2h h LEU 60 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i2h h LEU 60 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3i2h h LEU 60 CO 0.00 0.05 -0.07 -0.33 0.09 0.00 0.00 178.44 178.18 3i2h h GLU 61 N 0.00 0.01 -0.35 1.13 5.08 -1.63 -0.25 114.58 118.56 3i2h h GLU 61 Ca -0.00 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3i2h h GLU 61 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3i2h h GLU 61 CO 0.01 0.08 -0.14 0.74 -1.00 0.00 0.00 179.01 178.70 3i2h h PHE 62 N 0.01 0.81 -0.39 4.33 0.04 -1.33 -2.48 116.94 117.92 3i2h h PHE 62 Ca 0.00 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.48 3i2h h PHE 62 Cb 0.13 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 3i2h h PHE 62 CO 0.00 0.89 -0.16 0.28 -0.60 0.00 0.00 178.31 178.72 3i2h h VAL 63 N 0.49 1.28 0.00 -0.55 2.07 -1.32 -0.78 116.25 117.44 3i2h h VAL 63 Ca 0.08 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3i2h h VAL 63 Cb 0.66 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3i2h h VAL 63 CO 0.04 0.43 0.00 0.03 0.02 0.00 0.00 177.57 178.09 3i2h h ARG 64 N 0.59 0.00 -0.19 1.57 3.08 -1.11 -2.16 114.38 116.16 3i2h h ARG 64 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i2h h ARG 64 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3i2h h ARG 64 CO 0.05 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.48 3i2h n ASP 65 N -2.98 2.71 0.00 7.04 2.03 -0.94 -3.38 116.55 121.04 3i2h n ASP 65 Ca -0.00 -1.88 0.00 0.00 0.52 0.00 0.00 54.79 53.43 3i2h n ASP 65 Cb 0.23 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 3i2h n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i2h n GLY 66 N 1.34 1.12 3.84 0.27 0.00 -0.81 -5.05 105.19 105.90 3i2h n GLY 66 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3i2h n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2h s TYR 67 N -2.00 3.66 0.25 1.61 1.51 -0.35 -4.41 117.35 117.62 3i2h s TYR 67 Ca 0.00 1.06 -0.17 0.00 -1.01 0.00 0.00 57.07 56.95 3i2h s TYR 67 Cb 0.00 -2.35 -0.08 0.00 -0.11 0.00 0.00 41.96 39.41 3i2h s TYR 67 CO 0.00 0.50 0.70 0.00 -1.11 0.00 0.00 175.55 175.64 3i2h s ALA 68 N -1.34 3.41 -0.08 3.71 0.00 -0.36 -3.86 121.76 123.23 3i2h s ALA 68 Ca 0.34 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3i2h s ALA 68 Cb -0.16 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.22 3i2h s ALA 68 CO 0.18 0.36 -0.18 0.08 0.00 0.00 0.00 175.76 176.20 3i2h s VAL 69 N -1.71 1.56 -0.18 0.00 1.01 0.04 -0.14 120.40 120.99 3i2h s VAL 69 Ca 0.47 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3i2h s VAL 69 Cb -0.14 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3i2h s VAL 69 CO 0.19 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.94 3i2h s VAL 70 N 0.46 2.94 -0.14 2.92 1.01 0.60 -0.29 120.40 127.90 3i2h s VAL 70 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3i2h s VAL 70 Cb -0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3i2h s VAL 70 CO 0.06 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 3i2h s ILE 71 N 1.00 2.79 -0.05 2.22 1.01 -0.74 -0.80 121.20 126.63 3i2h s ILE 71 Ca -0.01 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.95 3i2h s ILE 71 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3i2h s ILE 71 CO -0.02 0.52 -0.21 -1.58 0.00 0.00 0.00 174.94 173.65 3i2h s GLN 72 N 0.59 2.51 -0.05 2.79 0.74 -0.12 -0.71 119.66 125.41 3i2h s GLN 72 Ca -0.09 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.20 3i2h s GLN 72 Cb -0.16 -2.24 -0.03 0.00 1.10 0.00 0.00 33.01 31.68 3i2h s GLN 72 CO 0.03 0.48 1.13 -0.51 -0.55 0.00 0.00 175.29 175.88 3i2h s ASP 73 N -0.39 7.13 0.88 6.67 1.01 -0.40 -0.82 116.67 130.75 3i2h s ASP 73 Ca 0.04 1.75 -0.10 0.00 0.71 0.00 0.00 52.55 54.94 3i2h s ASP 73 Cb -0.12 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.37 3i2h s ASP 73 CO 0.02 -0.51 1.12 0.42 0.21 0.00 0.00 175.17 176.42 3i2h s THR 74 N 1.97 2.52 0.13 -1.27 -4.23 -0.83 -4.32 115.64 109.60 3i2h s THR 74 Ca 0.54 0.17 -0.35 0.00 -1.18 0.00 0.00 61.69 60.87 3i2h s THR 74 Cb -0.23 -2.38 -0.16 0.00 1.34 0.00 0.00 72.50 71.08 3i2h s THR 74 CO 0.22 -0.22 1.36 -1.14 -0.54 0.00 0.00 174.62 174.30 3i2h n ARG 75 N -4.02 1.43 -0.84 3.99 0.63 -1.26 -2.29 116.66 114.31 3i2h n ARG 75 Ca 0.10 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 3i2h n ARG 75 Cb 0.53 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.28 3i2h n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i2h n GLY 76 N 2.60 0.81 3.29 5.14 0.00 -0.10 -3.77 105.19 113.16 3i2h n GLY 76 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3i2h n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2h s LEU 77 N 0.00 2.19 0.00 0.99 1.43 -0.97 -4.30 118.68 118.03 3i2h s LEU 77 Ca 0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3i2h s LEU 77 Cb 0.00 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.14 3i2h s LEU 77 CO 0.00 0.18 0.00 0.49 0.23 0.00 0.00 176.35 177.25 3i2h n PHE 78 N 1.68 0.00 1.31 0.29 3.72 -1.26 -1.48 117.46 121.72 3i2h n PHE 78 Ca -0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3i2h n PHE 78 Cb 0.53 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.67 3i2h n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2h n ALA 79 N 10.32 2.72 -1.90 4.37 0.00 -1.26 -4.87 120.51 129.89 3i2h n ALA 79 Ca 0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 3i2h n ALA 79 Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 3i2h n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i2h s SER 80 N -2.62 6.91 0.93 0.00 0.01 -0.55 -4.41 113.70 113.97 3i2h s SER 80 Ca 0.25 1.59 -0.14 0.00 1.31 0.00 0.00 55.95 58.96 3i2h s SER 80 Cb 0.20 -2.50 0.18 0.00 0.21 0.00 0.00 66.02 64.11 3i2h s SER 80 CO 0.50 -0.31 1.28 -1.61 0.41 0.00 0.00 173.24 173.51 3i2h s GLU 81 N -3.10 0.85 0.45 12.44 2.02 -0.27 -4.14 118.70 126.96 3i2h s GLU 81 Ca 0.60 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.16 3i2h s GLU 81 Cb -0.10 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3i2h s GLU 81 CO 0.14 -2.26 0.00 0.41 0.02 0.00 0.00 175.26 173.58 3i2h n GLY 82 N -3.64 -1.87 3.31 -1.39 0.00 -1.26 -0.92 105.19 99.41 3i2h n GLY 82 Ca 0.15 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 3i2h n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2h s GLU 83 N 0.00 2.50 -0.14 1.61 0.41 -1.26 -4.00 118.70 117.82 3i2h s GLU 83 Ca 0.00 -0.87 -0.22 0.00 -0.41 0.00 0.00 54.97 53.47 3i2h s GLU 83 Cb 0.00 -2.19 -0.03 0.00 -1.78 0.00 0.00 34.13 30.13 3i2h s GLU 83 CO 0.00 0.44 0.65 0.12 -0.49 0.00 0.00 175.26 175.98 3i2h s PHE 84 N -0.30 3.47 -0.04 1.61 5.36 -1.25 -4.37 117.98 122.46 3i2h s PHE 84 Ca 0.01 1.06 -0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3i2h s PHE 84 Cb -0.13 -2.78 0.03 0.00 -0.34 0.00 0.00 43.02 39.80 3i2h s PHE 84 CO 0.02 -0.04 0.01 0.08 -1.46 0.00 0.00 175.22 173.83 3i2h s VAL 85 N 1.37 0.15 0.26 3.12 1.01 -1.26 -5.05 120.40 120.01 3i2h s VAL 85 Ca 0.32 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 3i2h s VAL 85 Cb -0.16 -0.28 -0.14 0.00 0.00 0.00 0.00 36.38 35.80 3i2h s VAL 85 CO 0.13 0.16 1.23 -2.65 0.00 0.00 0.00 175.10 173.97 3i2h n PRO 86 N 4.43 1.73 0.00 2.72 -0.02 -1.26 -3.71 135.00 138.89 3i2h n PRO 86 Ca -0.21 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3i2h n PRO 86 Cb 0.50 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3i2h n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3i2h n HIS 87 N 1.03 0.00 0.25 6.00 8.25 -1.26 -4.74 115.22 124.76 3i2h n HIS 87 Ca 0.10 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.70 3i2h n HIS 87 Cb 0.31 0.00 0.59 0.00 1.12 0.00 0.00 29.99 32.02 3i2h n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3i2h h VAL 88 N 0.00 0.28 -0.01 1.59 -1.51 -1.99 -2.87 116.25 111.73 3i2h h VAL 88 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3i2h h VAL 88 Cb 0.00 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3i2h h VAL 88 CO 0.00 0.10 -0.26 0.47 -1.23 0.00 0.00 177.57 176.65 3i2h n ASP 89 N -3.26 1.68 0.13 4.19 8.00 -1.26 -4.71 116.55 121.31 3i2h n ASP 89 Ca 0.00 -1.34 -0.01 0.00 0.71 0.00 0.00 54.79 54.16 3i2h n ASP 89 Cb 0.35 0.39 0.09 0.00 -0.02 0.00 0.00 41.12 41.94 3i2h n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i2h h ASP 90 N 1.90 0.00 0.31 -2.24 3.32 -1.87 -0.45 116.42 117.40 3i2h h ASP 90 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3i2h h ASP 90 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3i2h h ASP 90 CO 0.00 0.65 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.69 3i2h h GLU 91 N 0.00 -0.40 -0.35 3.56 5.08 -1.79 -1.32 114.58 119.36 3i2h h GLU 91 Ca -0.01 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3i2h h GLU 91 Cb 1.31 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 3i2h h GLU 91 CO 0.08 -0.18 -0.07 0.00 -1.00 0.00 0.00 179.01 177.85 3i2h h ALA 92 N 0.09 0.48 -0.48 3.43 0.00 -1.87 -1.43 119.26 119.47 3i2h h ALA 92 Ca -0.04 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3i2h h ALA 92 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i2h h ALA 92 CO 0.07 0.31 0.02 -0.44 0.00 0.00 0.00 179.25 179.20 3i2h h ASP 93 N 0.45 0.75 -0.37 0.00 3.32 -1.14 -0.61 116.42 118.82 3i2h h ASP 93 Ca 0.09 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3i2h h ASP 93 Cb 0.57 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3i2h h ASP 93 CO 0.03 0.81 -0.01 0.00 -1.72 0.00 0.00 179.24 178.35 3i2h h ALA 94 N 1.28 0.50 -0.33 3.45 0.00 -1.15 -0.79 119.26 122.21 3i2h h ALA 94 Ca 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i2h h ALA 94 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3i2h h ALA 94 CO 0.02 0.28 0.12 1.49 0.00 0.00 0.00 179.25 181.16 3i2h h GLU 95 N 0.47 0.26 -0.44 0.00 4.81 -0.84 0.92 114.58 119.77 3i2h h GLU 95 Ca 0.10 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3i2h h GLU 95 Cb 0.48 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3i2h h GLU 95 CO 0.02 0.18 -0.09 -0.44 -0.73 0.00 0.00 179.01 177.94 3i2h h ASP 96 N 0.27 0.77 -0.26 1.04 3.32 -1.08 -1.54 116.42 118.95 3i2h h ASP 96 Ca 0.15 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3i2h h ASP 96 Cb 0.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3i2h h ASP 96 CO -0.14 0.89 -0.16 0.74 -1.72 0.00 0.00 179.24 178.86 3i2h h THR 97 N 0.71 1.30 -0.72 0.35 2.02 -0.74 -1.53 112.91 114.31 3i2h h THR 97 Ca 0.12 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.04 3i2h h THR 97 Cb 0.57 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3i2h h THR 97 CO 0.04 0.40 0.48 -0.07 0.37 0.00 0.00 175.52 176.73 3i2h h LEU 98 N 0.30 0.83 -0.34 2.58 3.38 -0.72 -0.43 115.31 120.91 3i2h h LEU 98 Ca 0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i2h h LEU 98 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3i2h h LEU 98 CO 0.04 0.61 0.22 0.28 0.09 0.00 0.00 178.44 179.68 3i2h h SER 99 N 0.98 0.38 -0.38 -0.43 0.02 -1.18 -1.21 113.55 111.73 3i2h h SER 99 Ca 0.26 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3i2h h SER 99 Cb -0.11 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3i2h h SER 99 CO -0.06 0.28 0.25 -0.25 -1.14 0.00 0.00 176.83 175.91 3i2h h TRP 100 N 0.46 0.48 -0.33 3.45 7.01 -0.91 -2.41 115.95 123.70 3i2h h TRP 100 Ca 0.13 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.18 3i2h h TRP 100 Cb -0.04 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 3i2h h TRP 100 CO -0.06 0.30 0.11 0.82 -2.79 0.00 0.00 178.44 176.82 3i2h h ILE 101 N 0.52 0.89 0.00 2.65 2.04 -0.76 -2.19 117.51 120.66 3i2h h ILE 101 Ca 0.14 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3i2h h ILE 101 Cb -0.06 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3i2h h ILE 101 CO -0.03 0.04 -0.07 -0.07 0.00 0.00 0.00 178.15 178.03 3i2h h LEU 102 N 0.24 0.00 -0.08 1.44 3.38 -0.95 -1.06 115.31 118.28 3i2h h LEU 102 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i2h h LEU 102 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i2h h LEU 102 CO -0.16 0.07 0.00 -0.33 0.09 0.00 0.00 178.44 178.10 3i2h h GLU 103 N 0.00 0.00 -7.06 1.13 5.08 -0.90 -3.45 114.58 109.39 3i2h h GLU 103 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3i2h h GLU 103 Cb 0.19 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.49 3i2h h GLU 103 CO 0.01 0.00 0.42 -0.65 -1.00 0.00 0.00 179.01 177.79 3i2h s GLN 104 N -3.22 3.63 0.51 2.33 -1.52 -0.40 -4.92 119.66 116.06 3i2h s GLN 104 Ca 0.07 1.55 0.20 0.00 -1.95 0.00 0.00 55.36 55.24 3i2h s GLN 104 Cb 0.06 -2.14 1.28 0.00 -0.22 0.00 0.00 33.01 31.99 3i2h s GLN 104 CO 0.65 -0.61 2.03 0.00 -0.25 0.00 0.00 175.29 177.11 3i2h h ALA 105 N 1.56 2.28 -0.02 6.09 0.00 -1.91 -2.40 119.26 124.85 3i2h h ALA 105 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i2h h ALA 105 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i2h h ALA 105 CO 0.59 -0.39 -0.01 -2.67 0.00 0.00 0.00 179.25 176.77 3i2h n TRP 106 N -4.44 0.00 -3.74 0.00 4.27 -1.26 -4.37 117.44 107.89 3i2h n TRP 106 Ca 0.07 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.33 3i2h n TRP 106 Cb 0.44 -0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.30 3i2h n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i2h n ASP 108 N 3.70 2.02 0.00 0.00 5.75 -0.05 -4.68 116.55 123.30 3i2h n ASP 108 Ca -0.16 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 3i2h n ASP 108 Cb 0.52 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3i2h n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2h n GLY 109 N 1.09 0.57 3.15 6.12 0.00 -1.26 -4.98 105.19 109.88 3i2h n GLY 109 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3i2h n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2h s ASN 110 N -2.94 3.66 0.01 1.61 0.01 -1.26 -4.60 114.94 111.42 3i2h s ASN 110 Ca 0.00 -0.76 0.07 0.00 -0.71 0.00 0.00 52.86 51.46 3i2h s ASN 110 Cb 0.00 -1.55 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 3i2h s ASN 110 CO 0.00 -0.05 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.64 3i2h s VAL 111 N 1.29 1.69 0.38 1.60 1.01 0.02 -1.35 120.40 125.04 3i2h s VAL 111 Ca 0.02 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3i2h s VAL 111 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3i2h s VAL 111 CO -0.09 0.35 0.15 -0.83 0.00 0.00 0.00 175.10 174.67 3i2h s GLY 112 N -0.83 2.45 0.04 4.51 0.00 0.57 -0.34 107.32 113.71 3i2h s GLY 112 Ca 0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 3i2h s GLY 112 CO 0.00 -1.75 -0.01 1.06 0.00 0.00 0.00 173.10 172.41 3i2h s MET 113 N -3.71 0.51 0.24 2.90 -1.94 -0.97 -0.62 119.30 115.71 3i2h s MET 113 Ca 0.28 -0.96 -0.14 0.00 -1.71 0.00 0.00 55.69 53.16 3i2h s MET 113 Cb 0.03 0.18 0.00 0.00 2.01 0.00 0.00 34.83 37.06 3i2h s MET 113 CO 0.16 -0.10 0.50 -0.59 -0.01 0.00 0.00 175.02 174.99 3i2h s PHE 114 N -2.95 0.23 0.00 -0.03 -0.71 -1.22 -1.32 117.98 111.98 3i2h s PHE 114 Ca -0.02 -0.60 0.00 0.00 -1.04 0.00 0.00 56.93 55.27 3i2h s PHE 114 Cb 0.01 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 42.08 3i2h s PHE 114 CO -0.06 -0.99 0.00 0.41 -1.34 0.00 0.00 175.22 173.23 3i2h n GLY 115 N -0.37 3.21 3.40 1.99 0.00 -1.17 -4.61 105.19 107.64 3i2h n GLY 115 Ca -0.03 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3i2h n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2h s VAL 116 N -2.03 2.38 0.00 1.61 0.11 -1.26 -1.40 120.40 119.81 3i2h s VAL 116 Ca 0.00 -1.52 0.00 0.00 -2.93 0.00 0.00 61.98 57.53 3i2h s VAL 116 Cb 0.00 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 3i2h s VAL 116 CO 0.00 0.22 0.00 -0.24 -3.33 0.00 0.00 175.10 171.75 3i2h n SER 117 N 1.28 0.00 0.20 3.54 2.88 0.16 -1.21 113.62 120.47 3i2h n SER 117 Ca -0.17 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.41 3i2h n SER 117 Cb 0.52 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.42 3i2h n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3i2h h TYR 118 N 0.00 0.00 0.00 0.66 5.03 -1.90 0.15 116.97 120.91 3i2h h TYR 118 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3i2h h TYR 118 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 3i2h h TYR 118 CO 0.00 0.29 0.00 1.28 -1.32 0.00 0.00 178.16 178.41 3i2h n LEU 119 N -4.13 0.00 -0.11 2.82 4.32 -0.35 -2.11 117.00 117.44 3i2h n LEU 119 Ca -0.02 0.48 -0.25 0.00 -0.02 0.00 0.00 56.01 56.20 3i2h n LEU 119 Cb 0.34 -0.48 -0.11 0.00 -1.62 0.00 0.00 43.42 41.55 3i2h n LEU 119 CO 0.37 -0.15 -1.13 0.61 -1.22 0.00 0.00 177.39 175.87 3i2h n GLY 120 N 0.54 -0.54 0.29 -0.72 0.00 0.32 -4.25 105.19 100.83 3i2h n GLY 120 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.00 3i2h n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2h h VAL 121 N -0.66 0.86 0.00 1.61 2.07 -0.94 -1.20 116.25 117.99 3i2h h VAL 121 Ca -0.56 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3i2h h VAL 121 Cb 1.65 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3i2h h VAL 121 CO -0.24 0.13 -0.02 0.71 0.02 0.00 0.00 177.57 178.17 3i2h h THR 122 N 0.70 0.12 -0.19 2.57 1.35 -1.65 -1.95 112.91 113.86 3i2h h THR 122 Ca 0.39 -0.23 -0.21 0.00 -0.55 0.00 0.00 66.41 65.81 3i2h h THR 122 Cb 0.41 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 68.03 3i2h h THR 122 CO -0.27 0.02 -0.72 1.56 -0.25 0.00 0.00 175.52 175.86 3i2h h GLN 123 N 0.00 0.81 -0.67 4.72 4.20 -1.40 -1.10 115.11 121.67 3i2h h GLN 123 Ca -0.00 -0.62 -0.06 0.00 0.06 0.00 0.00 58.65 58.03 3i2h h GLN 123 Cb 0.20 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3i2h h GLN 123 CO 0.00 1.23 0.18 -1.49 -0.67 0.00 0.00 178.83 178.09 3i2h h TRP 124 N 0.57 1.09 -0.19 2.96 4.06 -1.34 0.40 115.95 123.49 3i2h h TRP 124 Ca -0.03 -0.11 -0.06 0.00 2.06 0.00 0.00 58.89 60.74 3i2h h TRP 124 Cb 1.34 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 29.17 3i2h h TRP 124 CO 0.08 0.88 -0.16 1.96 -3.56 0.00 0.00 178.44 177.64 3i2h h GLN 125 N 1.00 0.32 -0.16 0.49 4.20 -1.36 -2.35 115.11 117.25 3i2h h GLN 125 Ca 0.22 -0.09 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 3i2h h GLN 125 Cb 0.32 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3i2h h GLN 125 CO -0.00 0.48 -0.70 0.00 -0.67 0.00 0.00 178.83 177.93 3i2h h ALA 126 N 1.54 0.45 0.00 3.87 0.00 -0.83 -3.32 119.26 120.97 3i2h h ALA 126 Ca 0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3i2h h ALA 126 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3i2h h ALA 126 CO 0.03 0.70 -0.18 0.00 0.00 0.00 0.00 179.25 179.80 3i2h h ALA 127 N 0.71 1.29 -0.07 0.00 0.00 -0.38 -1.93 119.26 118.88 3i2h h ALA 127 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i2h h ALA 127 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i2h h ALA 127 CO 0.14 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.94 3i2h n VAL 128 N -3.72 0.08 0.24 0.00 0.24 -1.10 -4.13 118.33 109.95 3i2h n VAL 128 Ca -0.02 -0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.21 3i2h n VAL 128 Cb 0.29 0.13 0.57 0.00 -1.47 0.00 0.00 33.84 33.36 3i2h n VAL 128 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i2h h SER 129 N 1.43 0.00 -0.08 -1.34 4.64 -1.51 -3.47 113.55 113.22 3i2h h SER 129 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3i2h h SER 129 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3i2h h SER 129 CO 0.00 0.16 -0.03 0.61 -0.87 0.00 0.00 176.83 176.69 3i2h n GLY 130 N -0.05 0.53 3.60 -0.77 0.00 -1.26 -4.99 105.19 102.25 3i2h n GLY 130 Ca -0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3i2h n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2h s VAL 131 N -1.97 4.11 0.52 1.61 1.01 -1.26 -4.90 120.40 119.51 3i2h s VAL 131 Ca 0.00 1.13 0.17 0.00 0.00 0.00 0.00 61.98 63.28 3i2h s VAL 131 Cb 0.00 -4.47 0.27 0.00 0.00 0.00 0.00 36.38 32.18 3i2h s VAL 131 CO 0.00 -0.92 2.14 1.23 0.00 0.00 0.00 175.10 177.55 3i2h h GLY 132 N 11.53 0.00 2.00 4.51 0.00 -1.99 -2.25 103.07 116.87 3i2h h GLY 132 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3i2h h GLY 132 CO 1.11 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 176.32 3i2h h GLY 133 N 0.08 0.00 -6.80 4.60 0.00 -1.91 -3.40 103.07 95.64 3i2h h GLY 133 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3i2h h GLY 133 CO 0.00 0.00 0.95 -2.27 0.00 0.00 0.00 176.54 175.22 3i2h s LEU 134 N -5.49 3.57 -0.02 3.11 2.96 -0.85 -0.80 118.68 121.16 3i2h s LEU 134 Ca 0.01 0.37 0.21 0.00 -0.22 0.00 0.00 54.13 54.50 3i2h s LEU 134 Cb 0.09 -3.44 -0.31 0.00 0.50 0.00 0.00 46.19 43.03 3i2h s LEU 134 CO 0.45 -1.33 0.52 0.29 -1.32 0.00 0.00 176.35 174.95 3i2h n LYS 135 N 8.04 0.58 -3.59 1.98 4.76 0.53 -4.95 118.16 125.51 3i2h n LYS 135 Ca 0.11 -0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 3i2h n LYS 135 Cb 0.49 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 3i2h n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i2h s ALA 136 N -3.39 -1.94 0.25 7.82 0.00 -1.25 -4.17 121.76 119.08 3i2h s ALA 136 Ca -0.05 1.65 0.05 0.00 0.00 0.00 0.00 51.96 53.61 3i2h s ALA 136 Cb 0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 3i2h s ALA 136 CO 0.87 -0.29 -0.04 0.96 0.00 0.00 0.00 175.76 177.26 3i2h s ILE 137 N -0.78 1.36 -0.42 0.00 -4.36 -0.54 -2.29 121.20 114.17 3i2h s ILE 137 Ca -0.01 -2.09 0.06 0.00 -0.26 0.00 0.00 60.65 58.35 3i2h s ILE 137 Cb -0.02 -2.35 0.20 0.00 1.25 0.00 0.00 42.46 41.55 3i2h s ILE 137 CO -0.00 -0.35 0.47 0.00 0.24 0.00 0.00 174.94 175.30 3i2h n ALA 138 N -0.48 1.88 -2.65 2.27 0.00 -0.43 -1.19 120.51 119.91 3i2h n ALA 138 Ca -0.06 -2.81 -0.42 0.00 0.00 0.00 0.00 53.44 50.16 3i2h n ALA 138 Cb 0.63 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 3i2h n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i2h s PRO 139 N -0.11 4.21 -0.14 0.00 0.04 -1.12 -3.04 135.00 134.83 3i2h s PRO 139 Ca 0.33 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 3i2h s PRO 139 Cb 0.08 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3i2h s PRO 139 CO -0.16 -0.49 -0.01 0.45 0.04 0.00 0.00 177.00 176.83 3i2h s SER 140 N 1.30 5.08 -1.24 6.66 0.15 -0.49 -2.61 113.70 122.54 3i2h s SER 140 Ca 0.36 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 3i2h s SER 140 Cb -0.15 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.43 3i2h s SER 140 CO 0.08 0.23 0.71 0.23 1.20 0.00 0.00 173.24 175.69 3i2h n MET 141 N 3.11 -3.25 -4.41 5.44 2.81 0.17 -0.67 117.12 120.33 3i2h n MET 141 Ca -0.18 0.56 -0.24 0.00 -1.81 0.00 0.00 57.70 56.04 3i2h n MET 141 Cb 0.53 -4.82 -0.08 0.00 -0.71 0.00 0.00 33.22 28.14 3i2h n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i2h n ALA 142 N -4.15 0.66 -2.94 3.04 0.00 -1.26 -3.08 120.51 112.77 3i2h n ALA 142 Ca -0.21 -2.09 -0.11 0.00 0.00 0.00 0.00 53.44 51.03 3i2h n ALA 142 Cb 0.65 1.52 -0.09 0.00 0.00 0.00 0.00 19.45 21.53 3i2h n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i2h s SER 143 N -3.52 0.06 -0.00 0.00 0.15 -1.26 -2.92 113.70 106.21 3i2h s SER 143 Ca 0.29 -0.33 0.12 0.00 0.70 0.00 0.00 55.95 56.73 3i2h s SER 143 Cb 0.01 0.24 0.34 0.00 -1.71 0.00 0.00 66.02 64.91 3i2h s SER 143 CO 0.21 -0.47 1.29 0.00 1.20 0.00 0.00 173.24 175.47 3i2h n ALA 144 N 1.03 2.20 -3.48 5.45 0.00 -1.26 -4.55 120.51 119.90 3i2h n ALA 144 Ca -0.21 -1.17 -0.21 0.00 0.00 0.00 0.00 53.44 51.85 3i2h n ALA 144 Cb 0.57 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 3i2h n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i2h s ASP 145 N -1.01 2.16 0.38 0.00 -1.08 -1.26 -0.38 116.67 115.48 3i2h s ASP 145 Ca 0.26 -0.74 0.20 0.00 -0.52 0.00 0.00 52.55 51.75 3i2h s ASP 145 Cb 0.14 0.18 0.65 0.00 -1.46 0.00 0.00 42.92 42.43 3i2h s ASP 145 CO 0.18 -0.38 1.72 -0.07 0.52 0.00 0.00 175.17 177.13 3i2h h LEU 146 N 8.33 0.00 0.10 -1.34 -0.00 -1.86 -1.23 115.31 119.31 3i2h h LEU 146 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 3i2h h LEU 146 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 3i2h h LEU 146 CO 0.35 0.35 -0.05 0.22 -0.00 0.00 0.00 178.44 179.31 3i2h h TYR 147 N 0.00 -0.13 0.00 1.13 5.03 -1.96 -2.72 116.97 118.32 3i2h h TYR 147 Ca -0.00 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 3i2h h TYR 147 Cb 0.93 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 3i2h h TYR 147 CO 0.00 0.09 -0.43 0.00 -1.32 0.00 0.00 178.16 176.50 3i2h h ARG 148 N -0.34 0.00 -1.91 1.82 3.08 -1.71 0.57 114.38 115.89 3i2h h ARG 148 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3i2h h ARG 148 Cb 0.28 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.11 3i2h h ARG 148 CO 0.02 0.43 0.14 0.00 -1.07 0.00 0.00 179.97 179.50 3i2h s ALA 149 N -3.93 -1.89 -2.31 0.04 0.00 -0.51 -3.90 121.76 109.25 3i2h s ALA 149 Ca -0.02 2.21 0.21 0.00 0.00 0.00 0.00 51.96 54.36 3i2h s ALA 149 Cb 0.13 -1.37 0.33 0.00 0.00 0.00 0.00 23.12 22.21 3i2h s ALA 149 CO 0.72 -0.35 1.30 -0.35 0.00 0.00 0.00 175.76 177.08 3i2h n PRO 150 N 3.48 2.27 0.04 0.00 -0.04 -1.20 -3.90 135.00 135.65 3i2h n PRO 150 Ca -0.17 -2.08 -0.22 0.00 -0.04 0.00 0.00 63.50 60.99 3i2h n PRO 150 Cb 0.57 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 3i2h n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i2h h TRP 151 N 4.06 0.59 0.00 0.54 -0.00 -1.62 -3.43 115.95 116.09 3i2h h TRP 151 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 58.89 58.46 3i2h h TRP 151 Cb 0.91 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.05 3i2h h TRP 151 CO 0.18 1.67 0.00 0.66 -0.00 0.00 0.00 178.44 180.95 3i2h n TYR 152 N -3.67 0.00 0.00 0.49 4.02 0.13 -0.36 117.16 117.77 3i2h n TYR 152 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 3i2h n TYR 152 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.34 3i2h n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2h n GLY 153 N 5.00 -0.31 0.10 2.72 0.00 -0.81 -4.26 105.19 107.63 3i2h n GLY 153 Ca 0.00 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.04 3i2h n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i2h n PRO 154 N -0.42 0.11 0.00 1.61 -0.04 -1.26 -2.07 135.00 132.93 3i2h n PRO 154 Ca 0.00 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 3i2h n PRO 154 Cb 0.00 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 31.72 3i2h n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i2h n GLY 155 N -0.66 -0.69 2.02 0.55 0.00 -1.25 -4.93 105.19 100.22 3i2h n GLY 155 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 3i2h n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2h n GLY 156 N 1.46 0.39 3.74 -0.02 0.00 -0.88 -1.13 105.19 108.75 3i2h n GLY 156 Ca 0.07 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 3i2h n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2h s ALA 157 N -2.03 3.46 0.11 4.61 0.00 -1.26 -4.77 121.76 121.88 3i2h s ALA 157 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 3i2h s ALA 157 Cb 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 3i2h s ALA 157 CO 0.00 0.69 1.26 -1.17 0.00 0.00 0.00 175.76 176.54 3i2h s LEU 158 N -1.90 4.39 -1.33 0.00 2.96 -1.26 -3.58 118.68 117.95 3i2h s LEU 158 Ca 0.24 2.16 -0.15 0.00 -0.22 0.00 0.00 54.13 56.16 3i2h s LEU 158 Cb -0.12 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.08 3i2h s LEU 158 CO 0.15 -0.50 1.87 -1.20 -1.32 0.00 0.00 176.35 175.35 3i2h n SER 159 N 3.61 4.66 -0.21 3.68 7.64 0.52 -0.87 113.62 132.65 3i2h n SER 159 Ca 0.09 -2.94 -0.09 0.00 1.01 0.00 0.00 58.87 56.94 3i2h n SER 159 Cb 0.45 -1.65 0.02 0.00 -1.01 0.00 0.00 64.21 62.02 3i2h n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3i2h h VAL 160 N 4.60 1.26 -0.45 0.44 3.04 -1.67 -1.99 116.25 121.49 3i2h h VAL 160 Ca 0.46 -1.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.07 3i2h h VAL 160 Cb 0.76 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 30.81 3i2h h VAL 160 CO 1.59 0.38 0.10 1.05 -1.01 0.00 0.00 177.57 179.68 3i2h h GLU 161 N 0.88 0.68 -0.23 4.17 -0.00 -1.62 -0.82 114.58 117.64 3i2h h GLU 161 Ca 0.17 -0.13 -0.02 0.00 -0.00 0.00 0.00 59.36 59.39 3i2h h GLU 161 Cb 0.46 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 29.10 3i2h h GLU 161 CO 0.02 0.63 0.07 0.00 -0.00 0.00 0.00 179.01 179.72 3i2h h ALA 162 N 1.45 0.30 0.02 1.06 0.00 -1.70 -1.30 119.26 119.08 3i2h h ALA 162 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i2h h ALA 162 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i2h h ALA 162 CO -0.00 -0.07 -0.01 1.25 0.00 0.00 0.00 179.25 180.42 3i2h h LEU 163 N 0.19 -0.02 -0.26 0.00 5.85 -1.00 -0.89 115.31 119.18 3i2h h LEU 163 Ca 0.07 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 3i2h h LEU 163 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3i2h h LEU 163 CO -0.00 0.08 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.63 3i2h h LEU 164 N -0.11 0.88 -0.12 2.25 3.38 -1.18 -1.04 115.31 119.37 3i2h h LEU 164 Ca -0.00 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 3i2h h LEU 164 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i2h h LEU 164 CO 0.00 1.24 0.07 1.23 0.09 0.00 0.00 178.44 181.08 3i2h h GLY 165 N 0.54 0.18 1.00 0.83 0.00 -1.25 -1.51 103.07 102.86 3i2h h GLY 165 Ca 0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 3i2h h GLY 165 CO 0.11 0.07 -0.02 -0.25 0.00 0.00 0.00 176.54 176.45 3i2h h TRP 166 N 0.12 0.93 -0.98 5.60 7.01 -1.13 -1.61 115.95 125.88 3i2h h TRP 166 Ca 0.04 -0.17 0.03 0.00 2.11 0.00 0.00 58.89 60.90 3i2h h TRP 166 Cb 0.05 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 3i2h h TRP 166 CO -0.05 0.89 0.65 0.77 -2.79 0.00 0.00 178.44 177.91 3i2h h SER 167 N 0.70 1.10 -0.39 2.65 0.02 -1.13 0.47 113.55 116.96 3i2h h SER 167 Ca 0.13 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3i2h h SER 167 Cb 0.53 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3i2h h SER 167 CO 0.03 0.77 -0.12 0.00 -1.14 0.00 0.00 176.83 176.36 3i2h h ALA 168 N 1.41 0.92 -0.12 3.77 0.00 -0.99 0.13 119.26 124.38 3i2h h ALA 168 Ca 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i2h h ALA 168 Cb -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i2h h ALA 168 CO -0.10 0.62 0.00 -0.22 0.00 0.00 0.00 179.25 179.55 3i2h h LYS 169 N 0.76 0.22 -0.89 0.00 3.64 -0.52 -1.66 116.57 118.11 3i2h h LYS 169 Ca 0.12 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3i2h h LYS 169 Cb 0.63 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3i2h h LYS 169 CO 0.04 0.46 0.52 0.82 -2.27 0.00 0.00 179.45 179.02 3i2h h ILE 170 N -0.05 1.25 -0.70 2.00 1.08 -0.84 -2.09 117.51 118.16 3i2h h ILE 170 Ca 0.03 -0.57 0.11 0.00 -0.39 0.00 0.00 64.86 64.04 3i2h h ILE 170 Cb 0.36 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.04 3i2h h ILE 170 CO 0.01 0.27 0.32 1.23 -0.69 0.00 0.00 178.15 179.28 3i2h h GLY 171 N 1.24 1.04 1.30 5.37 0.00 -0.57 -3.02 103.07 108.43 3i2h h GLY 171 Ca 0.32 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 3i2h h GLY 171 CO -0.06 0.00 -0.49 -0.84 0.00 0.00 0.00 176.54 175.15 3i2h h THR 172 N 0.52 1.29 -0.35 4.70 2.02 -0.62 -2.49 112.91 117.98 3i2h h THR 172 Ca 0.36 -1.69 0.02 0.00 0.77 0.00 0.00 66.41 65.86 3i2h h THR 172 Cb 0.44 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3i2h h THR 172 CO -0.31 0.55 0.23 1.23 0.37 0.00 0.00 175.52 177.59 3i2h h GLY 173 N 0.88 0.45 1.19 2.16 0.00 -1.36 -1.80 103.07 104.59 3i2h h GLY 173 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3i2h h GLY 173 CO 0.10 0.15 -0.01 1.41 0.00 0.00 0.00 176.54 178.20 3i2h h LEU 174 N 0.42 0.95 0.19 3.11 3.38 -1.33 -1.05 115.31 120.98 3i2h h LEU 174 Ca 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3i2h h LEU 174 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3i2h h LEU 174 CO -0.03 1.00 -0.09 0.40 0.09 0.00 0.00 178.44 179.81 3i2h h ILE 175 N 0.89 0.72 0.00 1.22 2.04 -1.37 -2.65 117.51 118.36 3i2h h ILE 175 Ca 0.16 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3i2h h ILE 175 Cb 0.53 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3i2h h ILE 175 CO 0.03 0.19 0.00 0.71 0.00 0.00 0.00 178.15 179.07 3i2h h THR 176 N -0.90 0.00 0.00 -0.27 1.35 -1.38 -2.24 112.91 109.47 3i2h h THR 176 Ca -0.03 -0.02 -0.08 0.00 -0.55 0.00 0.00 66.41 65.73 3i2h h THR 176 Cb 0.50 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3i2h h THR 176 CO 0.04 0.00 -1.43 -1.54 -0.25 0.00 0.00 175.52 172.34 3i2h n SER 177 N -2.93 0.63 -4.59 5.36 3.41 -0.40 -4.95 113.62 110.16 3i2h n SER 177 Ca -0.03 0.26 -0.51 0.00 -0.26 0.00 0.00 58.87 58.33 3i2h n SER 177 Cb 0.07 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 3i2h n SER 177 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i2h n ARG 178 N -2.68 1.15 0.18 4.33 1.74 -0.84 -4.89 116.66 115.64 3i2h n ARG 178 Ca -0.06 0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 57.30 3i2h n ARG 178 Cb 0.70 -2.03 -0.08 0.00 -1.02 0.00 0.00 32.46 30.03 3i2h n ARG 178 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i2h h SER 179 N 4.33 -0.40 -3.48 0.55 4.64 -1.92 -3.42 113.55 113.86 3i2h h SER 179 Ca -0.47 -0.15 -0.64 0.00 -0.47 0.00 0.00 61.79 60.06 3i2h h SER 179 Cb 1.34 0.10 -0.21 0.00 -0.31 0.00 0.00 62.40 63.32 3i2h h SER 179 CO 0.76 -0.03 -0.62 -1.81 -0.87 0.00 0.00 176.83 174.27 3i2h s ASP 180 N -5.02 5.17 0.00 4.97 1.01 -1.26 -5.08 116.67 116.46 3i2h s ASP 180 Ca -0.14 -0.12 -0.30 0.00 0.71 0.00 0.00 52.55 52.69 3i2h s ASP 180 Cb 0.02 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 3i2h s ASP 180 CO 0.53 0.06 1.18 0.00 0.21 0.00 0.00 175.17 177.15 3i2h s ALA 181 N 1.05 3.42 0.50 5.23 0.00 -1.26 -5.04 121.76 125.65 3i2h s ALA 181 Ca 0.03 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 3i2h s ALA 181 Cb -0.14 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 3i2h s ALA 181 CO 0.03 -0.57 1.04 1.03 0.00 0.00 0.00 175.76 177.28 3i2h s ARG 182 N 1.61 3.76 0.45 0.00 0.52 -1.26 -4.98 118.95 119.05 3i2h s ARG 182 Ca 0.57 1.34 0.13 0.00 -0.52 0.00 0.00 55.73 57.25 3i2h s ARG 182 Cb -0.27 -2.09 1.04 0.00 0.52 0.00 0.00 34.95 34.16 3i2h s ARG 182 CO 0.26 -0.46 2.02 -1.35 0.02 0.00 0.00 175.30 175.79 3i2h h PRO 183 N 1.45 0.36 0.00 3.54 0.11 -2.06 -2.30 132.00 133.10 3i2h h PRO 183 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i2h h PRO 183 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i2h h PRO 183 CO 0.59 0.24 -0.11 -0.85 -0.21 0.00 0.00 178.00 177.66 3i2h n GLU 184 N -4.47 0.06 -0.16 1.05 0.00 -1.26 -4.23 120.64 111.63 3i2h n GLU 184 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 57.16 57.24 3i2h n GLU 184 Cb 0.27 -1.57 0.07 0.00 0.00 0.00 0.00 31.44 30.21 3i2h n GLU 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i2h h ASP 185 N 0.00 0.09 -0.27 -1.84 3.32 -1.80 -0.41 116.42 115.50 3i2h h ASP 185 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3i2h h ASP 185 Cb 0.56 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3i2h h ASP 185 CO 0.00 0.08 0.12 0.00 -1.72 0.00 0.00 179.24 177.72 3i2h h ALA 186 N 1.36 0.32 -0.57 3.45 0.00 -1.78 -0.31 119.26 121.74 3i2h h ALA 186 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3i2h h ALA 186 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3i2h h ALA 186 CO -0.29 -0.27 -0.07 0.00 0.00 0.00 0.00 179.25 178.62 3i2h h ALA 187 N 1.15 0.79 -0.86 0.00 0.00 -1.76 -2.56 119.26 116.02 3i2h h ALA 187 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i2h h ALA 187 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3i2h h ALA 187 CO -0.09 0.67 0.54 -0.44 0.00 0.00 0.00 179.25 179.93 3i2h h ASP 188 N 0.94 1.02 -0.52 0.00 3.32 -0.72 -1.55 116.42 118.91 3i2h h ASP 188 Ca 0.15 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3i2h h ASP 188 Cb 0.64 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3i2h h ASP 188 CO 0.04 0.77 0.18 0.15 -1.72 0.00 0.00 179.24 178.66 3i2h h PHE 189 N 1.18 0.82 -0.66 4.55 3.04 -0.91 -0.30 116.94 124.65 3i2h h PHE 189 Ca 0.31 -0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.23 3i2h h PHE 189 Cb -0.08 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.14 3i2h h PHE 189 CO -0.01 0.70 0.38 0.28 -2.02 0.00 0.00 178.31 177.64 3i2h h VAL 190 N 0.70 1.01 -0.41 1.41 2.07 -1.12 -0.37 116.25 119.54 3i2h h VAL 190 Ca 0.17 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3i2h h VAL 190 Cb 0.25 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3i2h h VAL 190 CO -0.01 0.13 -0.15 1.56 0.02 0.00 0.00 177.57 179.12 3i2h h GLN 191 N 0.72 0.76 -0.58 1.57 4.20 -0.95 -1.51 115.11 119.33 3i2h h GLN 191 Ca 0.28 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3i2h h GLN 191 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3i2h h GLN 191 CO -0.15 0.87 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.77 3i2h h LEU 192 N 0.68 1.03 -1.16 1.46 3.38 -0.57 -2.22 115.31 117.92 3i2h h LEU 192 Ca 0.11 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3i2h h LEU 192 Cb 0.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3i2h h LEU 192 CO 0.04 1.10 0.29 0.00 0.09 0.00 0.00 178.44 179.97 3i2h h ALA 193 N 0.96 1.34 -0.50 1.53 0.00 -0.85 -1.58 119.26 120.16 3i2h h ALA 193 Ca 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i2h h ALA 193 Cb 0.60 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3i2h h ALA 193 CO 0.04 0.51 0.07 0.00 0.00 0.00 0.00 179.25 179.86 3i2h h ALA 194 N 1.44 1.18 -0.03 0.00 0.00 -0.90 -0.42 119.26 120.53 3i2h h ALA 194 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i2h h ALA 194 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i2h h ALA 194 CO -0.03 0.55 -0.00 0.82 0.00 0.00 0.00 179.25 180.59 3i2h h ILE 195 N 0.75 1.26 0.00 0.00 2.04 -0.97 -2.80 117.51 117.80 3i2h h ILE 195 Ca 0.16 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3i2h h ILE 195 Cb 0.36 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3i2h h ILE 195 CO 0.01 0.21 -0.20 -0.07 0.00 0.00 0.00 178.15 178.09 3i2h h LEU 196 N -0.26 0.00 -0.02 1.44 3.38 -1.03 -1.11 115.31 117.70 3i2h h LEU 196 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i2h h LEU 196 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i2h h LEU 196 CO 0.00 0.20 0.00 0.59 0.09 0.00 0.00 178.44 179.32 3i2h n ASN 197 N -3.90 0.56 -2.86 -0.43 3.02 -0.19 -4.45 115.26 107.00 3i2h n ASN 197 Ca -0.02 0.56 -0.12 0.00 -0.03 0.00 0.00 54.58 54.97 3i2h n ASN 197 Cb 0.29 -0.70 0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3i2h n ASN 197 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i2h n ASP 198 N -2.02 -1.84 -0.10 6.41 2.03 -0.49 -5.00 116.55 115.54 3i2h n ASP 198 Ca 0.06 -3.31 -0.08 0.00 0.52 0.00 0.00 54.79 51.98 3i2h n ASP 198 Cb 0.39 1.21 0.08 0.00 -0.72 0.00 0.00 41.12 42.09 3i2h n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i2h h VAL 199 N 2.62 1.27 -0.78 5.18 2.07 -1.60 -1.49 116.25 123.53 3i2h h VAL 199 Ca -0.07 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 3i2h h VAL 199 Cb 1.02 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3i2h h VAL 199 CO 0.31 0.44 0.36 0.00 0.02 0.00 0.00 177.57 178.70 3i2h h ALA 200 N 1.07 1.18 -0.37 1.67 0.00 -1.94 -0.32 119.26 120.54 3i2h h ALA 200 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i2h h ALA 200 Cb 0.71 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i2h h ALA 200 CO 0.05 0.62 0.18 0.78 0.00 0.00 0.00 179.25 180.88 3i2h h GLY 201 N 1.14 0.57 1.05 0.00 0.00 -1.84 -1.78 103.07 102.21 3i2h h GLY 201 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3i2h h GLY 201 CO -0.03 0.27 0.61 0.00 0.00 0.00 0.00 176.54 177.39 3i2h h ALA 202 N 1.03 1.28 0.00 3.60 0.00 -0.89 -2.27 119.26 122.01 3i2h h ALA 202 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i2h h ALA 202 Cb 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i2h h ALA 202 CO -0.02 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.88 3i2h n ALA 203 N -2.39 2.04 0.67 0.00 0.00 -0.17 -3.41 120.51 117.26 3i2h n ALA 203 Ca 0.11 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3i2h n ALA 203 Cb 0.03 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.35 3i2h n ALA 203 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i2h n SER 204 N -1.82 0.65 -4.74 0.00 7.64 -0.70 -4.89 113.62 109.77 3i2h n SER 204 Ca 0.05 0.21 -0.41 0.00 1.01 0.00 0.00 58.87 59.73 3i2h n SER 204 Cb 0.30 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 3i2h n SER 204 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i2h s VAL 205 N -3.12 3.27 -0.03 0.44 1.01 -1.22 -5.01 120.40 115.74 3i2h s VAL 205 Ca 0.08 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.18 3i2h s VAL 205 Cb 0.14 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3i2h s VAL 205 CO 0.67 0.16 -0.21 0.42 0.00 0.00 0.00 175.10 176.15 3i2h s THR 206 N 0.03 1.65 0.45 3.92 -4.23 -1.26 -3.01 115.64 113.19 3i2h s THR 206 Ca 0.56 -0.88 -0.24 0.00 -1.18 0.00 0.00 61.69 59.95 3i2h s THR 206 Cb -0.36 -1.38 -0.07 0.00 1.34 0.00 0.00 72.50 72.02 3i2h s THR 206 CO 0.38 0.47 1.27 -2.84 -0.54 0.00 0.00 174.62 173.36 3i2h s PRO 207 N -0.34 3.72 0.47 3.99 0.02 -1.26 -4.78 135.00 136.83 3i2h s PRO 207 Ca 0.04 2.06 0.13 0.00 0.02 0.00 0.00 61.00 63.25 3i2h s PRO 207 Cb -0.09 -2.54 1.08 0.00 0.02 0.00 0.00 34.50 32.97 3i2h s PRO 207 CO 0.00 -0.67 2.09 1.25 -0.33 0.00 0.00 177.00 179.35 3i2h h LEU 208 N 2.22 0.16 -0.44 -5.54 5.85 -1.27 -2.44 115.31 113.84 3i2h h LEU 208 Ca -0.50 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3i2h h LEU 208 Cb 1.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3i2h h LEU 208 CO 0.61 0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 3i2h n ALA 209 N -2.51 1.81 -2.86 1.25 0.00 -0.26 -4.47 120.51 113.48 3i2h n ALA 209 Ca -0.01 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 3i2h n ALA 209 Cb 0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 3i2h n ALA 209 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i2h s GLU 210 N -3.22 3.12 -0.53 0.00 2.02 -0.92 -4.93 118.70 114.25 3i2h s GLU 210 Ca 0.06 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.26 3i2h s GLU 210 Cb 0.10 -4.21 0.16 0.00 0.10 0.00 0.00 34.13 30.28 3i2h s GLU 210 CO 0.42 -1.74 0.37 -0.65 0.02 0.00 0.00 175.26 173.68 3i2h s GLN 211 N 3.87 1.61 0.18 1.61 -1.52 -1.26 -4.93 119.66 119.22 3i2h s GLN 211 Ca 0.21 -2.56 -0.13 0.00 -1.95 0.00 0.00 55.36 50.94 3i2h s GLN 211 Cb -0.17 -2.45 0.13 0.00 -0.22 0.00 0.00 33.01 30.30 3i2h s GLN 211 CO 0.11 -1.28 1.78 -1.35 -0.25 0.00 0.00 175.29 174.29 3i2h h PRO 212 N 5.86 0.46 0.23 2.91 0.11 -1.97 0.14 132.00 139.73 3i2h h PRO 212 Ca 0.14 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3i2h h PRO 212 Cb 0.85 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3i2h h PRO 212 CO 0.54 0.31 -0.11 1.25 -0.21 0.00 0.00 178.00 179.77 3i2h h LEU 213 N 0.48 -0.26 -0.84 2.35 5.85 -2.00 -2.95 115.31 117.94 3i2h h LEU 213 Ca 0.22 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3i2h h LEU 213 Cb 0.14 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3i2h h LEU 213 CO -0.16 0.25 0.03 -0.07 -0.34 0.00 0.00 178.44 178.15 3i2h h LEU 214 N -1.02 0.86 -1.72 2.25 3.38 -1.93 -1.40 115.31 115.73 3i2h h LEU 214 Ca -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3i2h h LEU 214 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3i2h h LEU 214 CO 0.05 0.90 -0.17 1.23 0.09 0.00 0.00 178.44 180.54 3i2h h GLY 215 N 1.00 0.00 0.19 0.83 0.00 -0.84 0.28 103.07 104.53 3i2h h GLY 215 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3i2h h GLY 215 CO 0.02 0.00 -0.16 -0.09 0.00 0.00 0.00 176.54 176.31 3i2h h ARG 216 N 0.00 0.07 -0.34 4.80 2.43 -1.23 -2.97 114.38 117.13 3i2h h ARG 216 Ca -0.00 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 3i2h h ARG 216 Cb 0.36 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3i2h h ARG 216 CO 0.02 1.00 -0.30 -0.07 -1.51 0.00 0.00 179.97 179.12 3i2h h LEU 217 N -0.81 0.86 -6.54 3.80 3.38 -1.11 -3.39 115.31 111.49 3i2h h LEU 217 Ca -0.03 -0.46 -0.59 0.00 0.09 0.00 0.00 57.88 56.90 3i2h h LEU 217 Cb 1.08 -0.24 -0.39 0.00 0.09 0.00 0.00 40.66 41.20 3i2h h LEU 217 CO 0.03 1.13 -0.89 -0.63 0.09 0.00 0.00 178.44 178.18 3i2h s ILE 218 N -4.43 0.51 0.44 1.22 1.01 0.96 -5.01 121.20 115.91 3i2h s ILE 218 Ca -0.12 -2.41 0.22 0.00 0.00 0.00 0.00 60.65 58.34 3i2h s ILE 218 Cb 0.10 -1.37 0.42 0.00 0.01 0.00 0.00 42.46 41.62 3i2h s ILE 218 CO 0.85 -1.11 1.82 -0.65 0.00 0.00 0.00 174.94 175.85 3i2h h PRO 219 N 6.20 0.28 -1.20 2.79 0.11 -1.66 -1.48 132.00 137.04 3i2h h PRO 219 Ca 0.16 -0.02 0.37 0.00 0.11 0.00 0.00 66.00 66.63 3i2h h PRO 219 Cb 0.92 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.85 3i2h h PRO 219 CO 0.36 0.19 0.76 2.35 -0.21 0.00 0.00 178.00 181.45 3i2h h TRP 220 N 0.29 0.60 -0.75 0.65 7.01 -1.90 -0.08 115.95 121.77 3i2h h TRP 220 Ca 0.52 0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.72 3i2h h TRP 220 Cb 1.52 -0.16 -0.12 0.00 -2.10 0.00 0.00 29.16 28.30 3i2h h TRP 220 CO -0.00 -0.13 0.13 0.28 -2.79 0.00 0.00 178.44 175.92 3i2h h VAL 221 N 0.20 0.44 0.01 2.65 2.07 -1.58 -0.11 116.25 119.92 3i2h h VAL 221 Ca 0.74 -0.07 -0.33 0.00 0.82 0.00 0.00 66.70 67.86 3i2h h VAL 221 Cb 2.16 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 3i2h h VAL 221 CO -0.41 0.04 -1.81 -0.38 0.02 0.00 0.00 177.57 175.03 3i2h n ILE 222 N -5.23 1.55 -0.33 4.57 2.08 -0.56 -1.41 119.36 120.02 3i2h n ILE 222 Ca 0.15 -0.21 -0.04 0.00 0.56 0.00 0.00 62.75 63.21 3i2h n ILE 222 Cb 0.49 -1.95 0.09 0.00 -0.75 0.00 0.00 39.64 37.52 3i2h n ILE 222 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3i2h h ASP 223 N -0.91 1.10 0.00 4.38 3.32 -0.96 -0.18 116.42 123.17 3i2h h ASP 223 Ca -0.49 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.48 3i2h h ASP 223 Cb 1.48 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i2h h ASP 223 CO -0.27 0.86 -0.57 1.67 -1.72 0.00 0.00 179.24 179.21 3i2h n GLN 224 N -4.37 0.40 0.08 3.56 -0.06 -0.11 -4.60 117.38 112.29 3i2h n GLN 224 Ca 0.10 0.37 -0.04 0.00 -2.00 0.00 0.00 57.00 55.42 3i2h n GLN 224 Cb 0.07 -1.43 -0.02 0.00 -4.06 0.00 0.00 30.24 24.80 3i2h n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i2h h VAL 225 N -0.82 0.00 -0.87 1.69 2.07 -1.37 -2.86 116.25 114.09 3i2h h VAL 225 Ca 0.00 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3i2h h VAL 225 Cb 0.57 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3i2h h VAL 225 CO 0.00 0.00 0.45 0.58 0.02 0.00 0.00 177.57 178.62 3i2h h VAL 226 N -0.75 1.26 0.00 2.57 2.07 -1.24 -2.69 116.25 117.47 3i2h h VAL 226 Ca -0.03 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3i2h h VAL 226 Cb 0.21 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3i2h h VAL 226 CO 0.05 0.30 0.00 0.47 0.02 0.00 0.00 177.57 178.41 3i2h n ASP 227 N -4.31 0.39 -3.65 0.57 8.00 -0.08 -4.17 116.55 113.29 3i2h n ASP 227 Ca 0.09 0.58 -0.27 0.00 0.71 0.00 0.00 54.79 55.89 3i2h n ASP 227 Cb 0.12 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 3i2h n ASP 227 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3i2h n HIS 228 N -1.91 3.25 0.23 1.24 8.25 -1.02 -4.91 115.22 120.36 3i2h n HIS 228 Ca 0.04 -4.20 0.12 0.00 -0.26 0.00 0.00 57.72 53.41 3i2h n HIS 228 Cb 0.26 -0.57 0.44 0.00 1.12 0.00 0.00 29.99 31.24 3i2h n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i2h h PRO 229 N 4.80 0.00 -6.69 -0.41 0.13 -1.75 -3.44 132.00 124.64 3i2h h PRO 229 Ca 0.17 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.81 3i2h h PRO 229 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 3i2h h PRO 229 CO 0.76 0.15 0.08 -0.51 -0.23 0.00 0.00 178.00 178.25 3i2h s ASP 230 N -6.08 6.77 -1.25 1.44 1.01 -1.26 -4.95 116.67 112.35 3i2h s ASP 230 Ca 0.02 1.25 -0.16 0.00 0.71 0.00 0.00 52.55 54.37 3i2h s ASP 230 Cb 0.09 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 3i2h s ASP 230 CO 0.63 -0.18 2.15 -3.20 0.21 0.00 0.00 175.17 174.78 3i2h n ASN 231 N -0.28 3.57 -1.41 0.27 5.15 -0.00 -4.88 115.26 117.66 3i2h n ASN 231 Ca 0.03 -2.78 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 3i2h n ASN 231 Cb 0.53 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 3i2h n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i2h n ASP 232 N 6.44 0.00 0.10 1.20 5.68 -1.26 -4.56 116.55 124.15 3i2h n ASP 232 Ca 0.52 -0.52 0.03 0.00 -0.50 0.00 0.00 54.79 54.31 3i2h n ASP 232 Cb 0.39 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.77 3i2h n ASP 232 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i2h h GLU 233 N 0.00 0.29 -0.60 0.11 3.07 -1.99 -0.91 114.58 114.55 3i2h h GLU 233 Ca 0.00 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 3i2h h GLU 233 Cb 0.00 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3i2h h GLU 233 CO 0.00 0.37 0.28 0.66 -1.40 0.00 0.00 179.01 178.92 3i2h h SER 234 N 0.28 0.77 0.10 1.42 4.64 -1.94 -0.89 113.55 117.94 3i2h h SER 234 Ca 0.06 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 3i2h h SER 234 Cb 0.29 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3i2h h SER 234 CO 0.01 0.67 -0.97 -0.50 -0.87 0.00 0.00 176.83 175.17 3i2h h TRP 235 N 0.86 0.78 -0.86 4.77 4.06 -1.72 -3.31 115.95 120.52 3i2h h TRP 235 Ca 0.21 -0.50 0.06 0.00 2.06 0.00 0.00 58.89 60.72 3i2h h TRP 235 Cb 0.11 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 28.15 3i2h h TRP 235 CO 0.01 1.35 0.56 1.96 -3.56 0.00 0.00 178.44 178.76 3i2h h GLN 236 N -0.01 0.95 -0.71 0.49 1.08 -0.93 -1.73 115.11 114.26 3i2h h GLN 236 Ca -0.15 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.10 3i2h h GLN 236 Cb 1.70 -0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 28.84 3i2h h GLN 236 CO 0.19 0.63 0.32 0.77 -0.95 0.00 0.00 178.83 179.78 3i2h h SER 237 N 0.98 0.37 0.27 1.46 0.02 -1.25 -2.62 113.55 112.78 3i2h h SER 237 Ca 0.37 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3i2h h SER 237 Cb 0.20 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3i2h h SER 237 CO -0.13 0.19 -0.53 2.30 -1.14 0.00 0.00 176.83 177.52 3i2h n ILE 238 N -4.93 0.00 -2.27 3.27 -5.35 -0.88 -4.90 119.36 104.31 3i2h n ILE 238 Ca 0.12 -0.06 -0.41 0.00 -0.27 0.00 0.00 62.75 62.13 3i2h n ILE 238 Cb 0.32 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.74 3i2h n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3i2h s SER 239 N -2.81 6.98 -0.01 7.28 0.15 -0.70 -4.76 113.70 119.82 3i2h s SER 239 Ca 0.15 2.47 0.15 0.00 0.70 0.00 0.00 55.95 59.42 3i2h s SER 239 Cb 0.18 -2.63 -0.20 0.00 -1.71 0.00 0.00 66.02 61.65 3i2h s SER 239 CO 0.67 -0.40 0.49 0.18 1.20 0.00 0.00 173.24 175.39 3i2h n LEU 240 N 1.40 0.37 -0.20 3.45 7.99 0.48 -4.81 117.00 125.69 3i2h n LEU 240 Ca 0.01 -0.26 -0.03 0.00 -0.01 0.00 0.00 56.01 55.73 3i2h n LEU 240 Cb 0.43 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.82 3i2h n LEU 240 CO 0.57 0.09 1.04 0.15 -1.51 0.00 0.00 177.39 177.73 3i2h h PHE 241 N 0.00 0.54 0.00 -1.77 3.57 -1.72 -1.17 116.94 116.39 3i2h h PHE 241 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3i2h h PHE 241 Cb 0.53 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 3i2h h PHE 241 CO 0.00 0.25 -0.04 0.93 -2.23 0.00 0.00 178.31 177.22 3i2h h GLU 242 N 0.56 0.00 0.00 1.11 4.39 -1.89 -1.76 114.58 116.98 3i2h h GLU 242 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3i2h h GLU 242 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3i2h h GLU 242 CO -0.19 0.04 -0.08 0.00 -1.16 0.00 0.00 179.01 177.62 3i2h h ARG 243 N 0.00 0.00 -0.47 2.33 3.08 -1.56 -3.36 114.38 114.40 3i2h h ARG 243 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3i2h h ARG 243 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3i2h h ARG 243 CO 0.01 0.00 0.06 -0.07 -1.07 0.00 0.00 179.97 178.89 3i2h h LEU 244 N 0.00 0.69 -1.96 3.04 3.38 -1.14 -2.88 115.31 116.44 3i2h h LEU 244 Ca 0.00 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3i2h h LEU 244 Cb 0.78 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3i2h h LEU 244 CO 0.00 0.73 0.09 1.23 0.09 0.00 0.00 178.44 180.58 3i2h h GLY 245 N 0.94 0.06 0.79 0.83 0.00 -1.73 -2.13 103.07 101.82 3i2h h GLY 245 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3i2h h GLY 245 CO 0.01 0.02 -0.27 0.61 0.00 0.00 0.00 176.54 176.91 3i2h n GLY 246 N -1.55 -0.96 3.87 4.60 0.00 -1.09 -4.90 105.19 105.16 3i2h n GLY 246 Ca -0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3i2h n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2h s LEU 247 N -2.68 3.17 -0.37 0.99 1.43 -0.80 -5.01 118.68 115.41 3i2h s LEU 247 Ca 0.21 1.39 0.14 0.00 -1.03 0.00 0.00 54.13 54.83 3i2h s LEU 247 Cb 0.19 -4.39 0.41 0.00 0.03 0.00 0.00 46.19 42.43 3i2h s LEU 247 CO 0.56 -0.97 0.90 0.00 0.23 0.00 0.00 176.35 177.07 3i2h n ALA 248 N -2.81 3.29 -3.28 4.21 0.00 -1.26 -4.77 120.51 115.89 3i2h n ALA 248 Ca 0.06 -3.47 -0.36 0.00 0.00 0.00 0.00 53.44 49.67 3i2h n ALA 248 Cb 0.54 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 3i2h n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2h s THR 249 N -3.31 3.84 0.27 0.00 2.01 -1.26 -4.80 115.64 112.39 3i2h s THR 249 Ca 0.35 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3i2h s THR 249 Cb 0.41 -2.78 -0.13 0.00 0.01 0.00 0.00 72.50 70.00 3i2h s THR 249 CO -0.04 0.37 1.33 -2.65 -0.69 0.00 0.00 174.62 172.95 3i2h n PRO 250 N 4.86 1.98 -3.97 4.92 -0.02 -1.26 -4.79 135.00 136.73 3i2h n PRO 250 Ca -0.17 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 61.82 3i2h n PRO 250 Cb 0.51 -2.31 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 3i2h n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2h s ALA 251 N -0.45 0.51 -0.48 3.55 0.00 -1.03 -1.46 121.76 122.39 3i2h s ALA 251 Ca 0.64 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.48 3i2h s ALA 251 Cb -0.63 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.11 3i2h s ALA 251 CO 0.54 -0.14 0.41 -1.17 0.00 0.00 0.00 175.76 175.40 3i2h s LEU 252 N 1.21 5.62 -0.19 0.00 0.20 -0.33 -0.98 118.68 124.20 3i2h s LEU 252 Ca -0.07 -1.32 -0.07 0.00 0.69 0.00 0.00 54.13 53.36 3i2h s LEU 252 Cb -0.13 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.40 3i2h s LEU 252 CO -0.02 -0.66 0.04 -0.63 -0.29 0.00 0.00 176.35 174.79 3i2h s ILE 253 N 1.68 4.47 -0.01 6.68 1.01 0.03 -2.79 121.20 132.27 3i2h s ILE 253 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.60 3i2h s ILE 253 Cb -0.24 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3i2h s ILE 253 CO 0.07 0.44 -0.15 -0.89 0.00 0.00 0.00 174.94 174.40 3i2h s THR 254 N 0.68 2.98 0.20 2.92 2.01 -1.07 -1.11 115.64 122.25 3i2h s THR 254 Ca 0.02 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3i2h s THR 254 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3i2h s THR 254 CO 0.02 0.49 0.16 0.00 -0.69 0.00 0.00 174.62 174.60 3i2h s ALA 255 N -0.81 1.03 0.00 7.40 0.00 0.08 -0.65 121.76 128.80 3i2h s ALA 255 Ca 0.13 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.50 3i2h s ALA 255 Cb -0.11 1.34 -0.01 0.00 0.00 0.00 0.00 23.12 24.35 3i2h s ALA 255 CO 0.03 -0.61 -0.08 0.20 0.00 0.00 0.00 175.76 175.30 3i2h s GLY 256 N -3.14 0.39 0.57 0.00 0.00 -1.26 -2.13 107.32 101.75 3i2h s GLY 256 Ca 0.37 -0.38 0.30 0.00 0.00 0.00 0.00 44.72 45.02 3i2h s GLY 256 CO 0.11 -0.33 2.19 1.49 0.00 0.00 0.00 173.10 176.56 3i2h h TRP 257 N 5.80 0.00 -0.24 1.90 -0.00 -0.85 -1.51 115.95 121.05 3i2h h TRP 257 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.59 3i2h h TRP 257 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 3i2h h TRP 257 CO 0.43 0.05 0.00 0.66 -0.00 0.00 0.00 178.44 179.58 3i2h n TYR 258 N -3.66 0.76 -3.28 0.49 4.01 -0.37 -4.90 117.16 110.21 3i2h n TYR 258 Ca -0.02 -0.82 -0.39 0.00 -0.16 0.00 0.00 57.90 56.51 3i2h n TYR 258 Cb 0.15 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 3i2h n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i2h s ASP 259 N -1.86 7.01 0.52 7.72 2.15 -0.57 -4.20 116.67 127.44 3i2h s ASP 259 Ca 0.38 1.20 0.27 0.00 0.43 0.00 0.00 52.55 54.83 3i2h s ASP 259 Cb 0.30 -2.35 1.41 0.00 -0.30 0.00 0.00 42.92 41.98 3i2h s ASP 259 CO 0.09 0.23 1.94 1.23 -0.17 0.00 0.00 175.17 178.50 3i2h h GLY 260 N 4.86 0.07 -0.53 2.66 0.00 -1.85 -1.38 103.07 106.89 3i2h h GLY 260 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3i2h h GLY 260 CO 0.65 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.88 3i2h n PHE 261 N -4.34 0.04 -0.21 5.60 3.01 -1.26 -4.63 117.46 115.67 3i2h n PHE 261 Ca 0.14 -0.02 0.01 0.00 1.01 0.00 0.00 57.45 58.59 3i2h n PHE 261 Cb 0.76 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.35 3i2h n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i2h h VAL 262 N 2.34 0.67 -0.39 -4.37 3.04 -1.47 0.31 116.25 116.38 3i2h h VAL 262 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 3i2h h VAL 262 Cb 0.50 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 3i2h h VAL 262 CO 0.00 0.06 0.21 1.23 -1.01 0.00 0.00 177.57 178.06 3i2h h GLY 263 N 0.31 0.59 1.67 3.17 0.00 -1.84 -1.51 103.07 105.45 3i2h h GLY 263 Ca 0.33 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 3i2h h GLY 263 CO -0.38 0.26 -0.77 0.83 0.00 0.00 0.00 176.54 176.48 3i2h h GLU 264 N 0.50 0.32 -0.17 4.80 4.39 -1.56 -2.00 114.58 120.87 3i2h h GLU 264 Ca 0.14 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3i2h h GLU 264 Cb 0.06 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3i2h h GLU 264 CO -0.02 0.94 0.10 0.77 -1.16 0.00 0.00 179.01 179.64 3i2h h SER 265 N 0.21 0.20 -0.62 1.42 0.02 -0.27 -2.15 113.55 112.35 3i2h h SER 265 Ca -0.03 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3i2h h SER 265 Cb 1.35 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 3i2h h SER 265 CO 0.13 0.17 0.20 -0.07 -1.14 0.00 0.00 176.83 176.11 3i2h h LEU 266 N 0.21 0.93 -1.64 5.07 3.38 -1.23 -2.54 115.31 119.49 3i2h h LEU 266 Ca 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3i2h h LEU 266 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3i2h h LEU 266 CO -0.01 0.87 -0.19 0.03 0.09 0.00 0.00 178.44 179.23 3i2h h ARG 267 N 0.96 0.00 -0.23 1.13 3.08 -1.14 -2.03 114.38 116.15 3i2h h ARG 267 Ca 0.21 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 3i2h h ARG 267 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3i2h h ARG 267 CO -0.01 0.19 -0.52 1.79 -1.07 0.00 0.00 179.97 180.35 3i2h h THR 268 N 0.00 1.31 -0.24 2.04 1.35 -0.96 -2.27 112.91 114.14 3i2h h THR 268 Ca -0.00 -1.74 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 3i2h h THR 268 Cb 0.46 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3i2h h THR 268 CO 0.02 0.55 0.12 0.15 -0.25 0.00 0.00 175.52 176.11 3i2h h PHE 269 N 0.50 0.34 -0.36 4.73 3.57 -1.23 -2.23 116.94 122.26 3i2h h PHE 269 Ca 0.02 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3i2h h PHE 269 Cb 1.07 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3i2h h PHE 269 CO 0.05 0.33 0.09 0.28 -2.23 0.00 0.00 178.31 176.83 3i2h h VAL 270 N 0.25 1.16 0.00 1.41 2.07 -1.45 -1.52 116.25 118.18 3i2h h VAL 270 Ca 0.08 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 3i2h h VAL 270 Cb 0.11 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3i2h h VAL 270 CO -0.01 0.21 -0.62 0.00 0.02 0.00 0.00 177.57 177.16 3i2h h ALA 271 N 1.60 0.95 0.00 1.67 0.00 -1.02 -3.33 119.26 119.13 3i2h h ALA 271 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i2h h ALA 271 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i2h h ALA 271 CO -0.01 0.78 -0.83 1.33 0.00 0.00 0.00 179.25 180.53 3i2h n VAL 272 N -3.76 0.00 0.23 0.00 0.24 -0.87 -4.20 118.33 109.96 3i2h n VAL 272 Ca -0.01 -0.21 0.07 0.00 -2.04 0.00 0.00 64.34 62.14 3i2h n VAL 272 Cb 0.63 0.83 0.54 0.00 -1.47 0.00 0.00 33.84 34.37 3i2h n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i2h h LYS 273 N 0.00 0.00 0.00 7.34 2.10 -1.39 -2.80 116.57 121.82 3i2h h LYS 273 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 3i2h h LYS 273 Cb 0.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 3i2h h LYS 273 CO 0.00 0.17 -0.47 -0.44 -2.00 0.00 0.00 179.45 176.71 3i2h h ASP 274 N 0.00 0.00 0.00 7.07 3.32 -1.83 -3.35 116.42 121.62 3i2h h ASP 274 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i2h h ASP 274 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3i2h h ASP 274 CO 0.02 0.47 -1.28 0.59 -1.72 0.00 0.00 179.24 177.33 3i2h n ASN 275 N -3.31 0.91 -3.71 6.45 3.02 -1.08 -5.03 115.26 112.51 3i2h n ASN 275 Ca 0.01 -0.46 -0.09 0.00 -0.03 0.00 0.00 54.58 54.01 3i2h n ASN 275 Cb 0.67 1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 41.19 3i2h n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2h s ALA 276 N -2.89 -0.37 -0.71 5.41 0.00 -1.09 -4.69 121.76 117.42 3i2h s ALA 276 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 3i2h s ALA 276 Cb 0.12 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 24.20 3i2h s ALA 276 CO 0.70 -0.90 1.82 0.34 0.00 0.00 0.00 175.76 177.72 3i2h s ASP 277 N -3.04 5.36 0.02 0.00 2.15 -1.26 -4.52 116.67 115.37 3i2h s ASP 277 Ca 0.20 -0.06 -0.05 0.00 0.43 0.00 0.00 52.55 53.08 3i2h s ASP 277 Cb -0.02 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 3i2h s ASP 277 CO 0.11 -2.40 0.25 0.00 -0.17 0.00 0.00 175.17 172.96 3i2h s ALA 278 N 8.90 3.89 0.08 3.66 0.00 -1.26 -2.47 121.76 134.57 3i2h s ALA 278 Ca 0.64 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.01 3i2h s ALA 278 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3i2h s ALA 278 CO 0.13 0.70 -0.16 1.03 0.00 0.00 0.00 175.76 177.46 3i2h s ARG 279 N -1.97 0.92 -0.03 0.00 1.81 -0.16 -4.92 118.95 114.61 3i2h s ARG 279 Ca 0.29 -1.04 0.02 0.00 -1.72 0.00 0.00 55.73 53.28 3i2h s ARG 279 Cb -0.13 -0.99 0.01 0.00 -0.45 0.00 0.00 34.95 33.39 3i2h s ARG 279 CO 0.19 0.22 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.79 3i2h s LEU 280 N -1.85 1.64 -0.08 2.53 2.96 -0.34 -0.79 118.68 122.74 3i2h s LEU 280 Ca 0.01 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3i2h s LEU 280 Cb -0.10 -0.48 0.02 0.00 0.50 0.00 0.00 46.19 46.14 3i2h s LEU 280 CO 0.03 0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.32 3i2h s VAL 281 N 0.44 0.86 -0.12 1.68 1.01 -0.27 -0.62 120.40 123.38 3i2h s VAL 281 Ca -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3i2h s VAL 281 Cb -0.10 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.44 3i2h s VAL 281 CO 0.00 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.66 3i2h s VAL 282 N 1.32 1.05 0.50 2.92 1.01 -0.48 -0.74 120.40 125.99 3i2h s VAL 282 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3i2h s VAL 282 Cb -0.14 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3i2h s VAL 282 CO -0.03 0.32 0.43 -0.83 0.00 0.00 0.00 175.10 174.99 3i2h s GLY 283 N 1.69 2.23 -0.23 4.51 0.00 -0.90 -0.45 107.32 114.16 3i2h s GLY 283 Ca 0.04 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.17 3i2h s GLY 283 CO -0.08 -1.84 1.68 -1.55 0.00 0.00 0.00 173.10 171.31 3i2h n PRO 284 N -1.73 1.61 -3.36 2.90 -0.04 -1.26 -0.51 135.00 132.60 3i2h n PRO 284 Ca 0.02 -1.31 -0.27 0.00 -0.04 0.00 0.00 63.50 61.90 3i2h n PRO 284 Cb 0.63 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 3i2h n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2h s TRP 285 N -1.48 3.49 0.51 0.54 0.51 -1.26 -4.59 118.94 116.65 3i2h s TRP 285 Ca 0.25 0.52 0.08 0.00 -2.12 0.00 0.00 56.10 54.83 3i2h s TRP 285 Cb 0.21 -2.01 0.04 0.00 -0.81 0.00 0.00 33.47 30.89 3i2h s TRP 285 CO 0.02 0.16 0.58 -1.54 -0.51 0.00 0.00 176.95 175.66 3i2h s SER 286 N -3.48 5.07 0.37 2.95 1.04 -0.76 -1.23 113.70 117.65 3i2h s SER 286 Ca 0.42 -0.86 0.05 0.00 0.48 0.00 0.00 55.95 56.04 3i2h s SER 286 Cb -0.10 -0.00 0.70 0.00 0.10 0.00 0.00 66.02 66.72 3i2h s SER 286 CO 0.32 -1.05 1.98 -0.74 0.98 0.00 0.00 173.24 174.73 3i2h h HIS 287 N 0.56 0.62 -0.03 5.02 2.76 -1.77 -2.85 115.15 119.46 3i2h h HIS 287 Ca -0.35 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 3i2h h HIS 287 Cb 1.29 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.05 3i2h h HIS 287 CO 0.58 0.45 0.00 -1.13 -1.30 0.00 0.00 177.93 176.53 3i2h n SER 288 N -4.40 1.92 -3.80 3.26 3.41 -1.26 -4.84 113.62 107.91 3i2h n SER 288 Ca 0.04 -1.47 -0.30 0.00 -0.26 0.00 0.00 58.87 56.88 3i2h n SER 288 Cb 0.12 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 63.91 3i2h n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i2h s ASN 289 N -0.86 4.11 -0.29 4.04 2.47 -1.07 -4.94 114.94 118.39 3i2h s ASN 289 Ca 0.13 -2.03 0.10 0.00 0.42 0.00 0.00 52.86 51.48 3i2h s ASN 289 Cb 0.09 -1.09 0.56 0.00 -1.45 0.00 0.00 41.25 39.35 3i2h s ASN 289 CO 0.13 -0.37 1.55 0.18 -3.72 0.00 0.00 177.10 174.87 3i2h n LEU 290 N 4.36 4.62 0.11 3.21 4.32 -1.26 -1.83 117.00 130.53 3i2h n LEU 290 Ca 0.02 -3.53 0.06 0.00 -0.02 0.00 0.00 56.01 52.54 3i2h n LEU 290 Cb 0.40 -0.65 0.01 0.00 -1.62 0.00 0.00 43.42 41.56 3i2h n LEU 290 CO 0.17 1.06 0.18 0.71 -1.22 0.00 0.00 177.39 178.29 3i2h h THR 291 N 1.33 0.36 0.00 -5.08 1.35 -1.92 -0.60 112.91 108.35 3i2h h THR 291 Ca 0.23 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3i2h h THR 291 Cb 1.84 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 3i2h h THR 291 CO 0.48 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3i2h n GLY 292 N 1.24 1.27 3.43 5.82 0.00 -1.26 -3.81 105.19 111.88 3i2h n GLY 292 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3i2h n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2h s ARG 293 N -0.10 3.52 0.21 1.61 0.52 -1.26 -0.83 118.95 122.62 3i2h s ARG 293 Ca 0.00 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 3i2h s ARG 293 Cb 0.00 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 3i2h s ARG 293 CO 0.00 0.21 0.07 -0.80 0.02 0.00 0.00 175.30 174.80 3i2h s ASN 294 N 0.40 0.94 0.26 0.23 0.01 -0.02 -4.99 114.94 111.76 3i2h s ASN 294 Ca -0.07 -1.30 -0.02 0.00 -0.71 0.00 0.00 52.86 50.77 3i2h s ASN 294 Cb -0.15 0.20 0.51 0.00 0.41 0.00 0.00 41.25 42.21 3i2h s ASN 294 CO 0.04 -0.69 1.76 0.00 -1.51 0.00 0.00 177.10 176.70 3i2h h ALA 295 N 2.58 1.24 0.00 0.60 0.00 -1.92 -2.99 119.26 118.77 3i2h h ALA 295 Ca -0.37 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i2h h ALA 295 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i2h h ALA 295 CO 0.60 -0.08 -0.12 -0.25 0.00 0.00 0.00 179.25 179.40 3i2h n ASP 296 N -4.87 1.57 -3.65 0.00 8.00 -1.26 -5.00 116.55 111.34 3i2h n ASP 296 Ca 0.16 -2.51 -0.03 0.00 0.71 0.00 0.00 54.79 53.12 3i2h n ASP 296 Cb 0.41 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 3i2h n ASP 296 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i2h s ARG 297 N -1.69 0.52 -0.13 -1.24 6.06 -1.13 -4.95 118.95 116.39 3i2h s ARG 297 Ca 0.17 1.34 0.02 0.00 -2.50 0.00 0.00 55.73 54.76 3i2h s ARG 297 Cb 0.15 0.70 0.01 0.00 0.06 0.00 0.00 34.95 35.87 3i2h s ARG 297 CO 0.02 -0.21 -0.21 0.15 -2.50 0.00 0.00 175.30 172.54 3i2h s LYS 298 N 2.74 3.06 0.00 5.12 3.01 -1.26 -0.84 119.74 131.57 3i2h s LYS 298 Ca -0.05 -0.84 0.25 0.00 -1.01 0.00 0.00 55.97 54.32 3i2h s LYS 298 Cb -0.12 -2.44 0.56 0.00 -1.01 0.00 0.00 37.83 34.83 3i2h s LYS 298 CO -0.18 0.03 1.44 1.19 0.51 0.00 0.00 175.35 178.35 3i2h n PHE 299 N 3.97 0.00 0.00 3.18 3.72 -0.01 -5.03 117.46 123.28 3i2h n PHE 299 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3i2h n PHE 299 Cb 0.52 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3i2h n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2h n GLY 300 N 1.36 1.51 0.28 1.37 0.00 -1.26 -4.46 105.19 103.99 3i2h n GLY 300 Ca 0.11 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.41 3i2h n GLY 300 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2h h ILE 301 N 0.00 0.86 0.00 -0.61 2.10 -1.94 -1.05 117.51 116.87 3i2h h ILE 301 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 3i2h h ILE 301 Cb 0.00 0.98 -0.00 0.00 -1.09 0.00 0.00 36.82 36.71 3i2h h ILE 301 CO 0.00 0.00 -0.13 0.00 -1.08 0.00 0.00 178.15 176.94 3i2h h ALA 302 N 1.98 1.28 0.00 0.18 0.00 -1.95 -2.60 119.26 118.16 3i2h h ALA 302 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i2h h ALA 302 Cb 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i2h h ALA 302 CO -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 3i2h h ALA 303 N 1.87 0.96 -2.51 0.00 0.00 -1.40 -3.46 119.26 114.73 3i2h h ALA 303 Ca -0.00 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 3i2h h ALA 303 Cb 0.37 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.23 3i2h h ALA 303 CO 0.02 0.08 0.70 2.41 0.00 0.00 0.00 179.25 182.46 3i2h n THR 304 N -3.12 1.05 -1.57 0.00 -1.04 -0.98 -4.41 114.28 104.21 3i2h n THR 304 Ca 0.03 -0.26 -0.57 0.00 -2.04 0.00 0.00 64.05 61.21 3i2h n THR 304 Cb 0.52 -1.66 -0.08 0.00 -1.82 0.00 0.00 70.33 67.29 3i2h n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2h n TYR 305 N 1.88 1.78 -2.47 -1.42 9.36 -0.23 -4.76 117.16 121.30 3i2h n TYR 305 Ca 0.10 0.53 -0.43 0.00 3.32 0.00 0.00 57.90 61.42 3i2h n TYR 305 Cb 0.34 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.60 3i2h n TYR 305 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i2h n PRO 306 N 6.44 3.22 -0.13 2.98 -0.04 -1.26 -4.81 135.00 141.41 3i2h n PRO 306 Ca 0.35 -3.31 -0.01 0.00 -0.04 0.00 0.00 63.50 60.49 3i2h n PRO 306 Cb 0.12 -3.28 0.23 0.00 -0.04 0.00 0.00 33.50 30.53 3i2h n PRO 306 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3i2h h ILE 307 N 4.83 1.20 0.30 0.52 2.10 -1.89 0.53 117.51 125.11 3i2h h ILE 307 Ca 0.44 -0.64 -0.01 0.00 1.08 0.00 0.00 64.86 65.72 3i2h h ILE 307 Cb 0.80 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 3i2h h ILE 307 CO 1.51 0.25 -0.15 -0.61 -1.08 0.00 0.00 178.15 178.08 3i2h h GLN 308 N 0.80 -0.39 -0.76 2.19 4.15 -1.94 -0.58 115.11 118.58 3i2h h GLN 308 Ca 0.19 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 3i2h h GLN 308 Cb 0.17 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3i2h h GLN 308 CO -0.02 -0.23 0.31 0.93 -1.93 0.00 0.00 178.83 177.90 3i2h h GLU 309 N -0.46 1.12 -0.87 1.69 5.08 -1.89 -1.47 114.58 117.79 3i2h h GLU 309 Ca -0.04 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3i2h h GLU 309 Cb 0.35 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3i2h h GLU 309 CO 0.07 0.90 0.45 0.00 -1.00 0.00 0.00 179.01 179.43 3i2h h ALA 310 N 1.24 1.11 -0.30 3.43 0.00 -0.80 -0.21 119.26 123.73 3i2h h ALA 310 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i2h h ALA 310 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i2h h ALA 310 CO -0.02 0.64 0.12 1.15 0.00 0.00 0.00 179.25 181.14 3i2h h THR 311 N 1.22 1.18 -0.56 0.00 2.02 -0.50 -0.10 112.91 116.16 3i2h h THR 311 Ca 0.30 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3i2h h THR 311 Cb 0.06 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3i2h h THR 311 CO -0.04 0.19 0.37 0.74 0.37 0.00 0.00 175.52 177.14 3i2h h THR 312 N 0.33 1.15 -0.47 3.16 2.02 -1.04 -0.78 112.91 117.27 3i2h h THR 312 Ca 0.10 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 3i2h h THR 312 Cb 0.18 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3i2h h THR 312 CO -0.01 0.14 0.03 -0.03 0.37 0.00 0.00 175.52 176.03 3i2h h MET 313 N 0.77 0.81 -0.55 6.66 -1.53 -0.81 -1.37 114.93 118.90 3i2h h MET 313 Ca 0.21 -0.24 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 3i2h h MET 313 Cb -0.08 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 30.86 3i2h h MET 313 CO -0.04 0.85 0.30 0.45 0.14 0.00 0.00 176.91 178.61 3i2h h HIS 314 N 0.67 0.75 -0.74 1.39 3.86 -0.80 -0.33 115.15 119.96 3i2h h HIS 314 Ca 0.14 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 3i2h h HIS 314 Cb 0.46 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3i2h h HIS 314 CO 0.03 0.55 0.24 -0.22 0.86 0.00 0.00 177.93 179.39 3i2h h LYS 315 N 0.74 1.14 -0.53 2.45 3.64 -0.98 0.48 116.57 123.51 3i2h h LYS 315 Ca 0.19 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3i2h h LYS 315 Cb 0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3i2h h LYS 315 CO -0.03 0.97 0.16 0.00 -2.27 0.00 0.00 179.45 178.27 3i2h h ALA 316 N 1.12 0.70 -0.20 5.00 0.00 -0.97 0.18 119.26 125.09 3i2h h ALA 316 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i2h h ALA 316 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i2h h ALA 316 CO -0.01 0.36 0.12 0.35 0.00 0.00 0.00 179.25 180.08 3i2h h PHE 317 N 0.74 0.26 -0.24 0.00 3.57 -0.66 -0.77 116.94 119.84 3i2h h PHE 317 Ca 0.17 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 3i2h h PHE 317 Cb 0.29 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3i2h h PHE 317 CO 0.02 0.20 -0.41 0.74 -2.23 0.00 0.00 178.31 176.63 3i2h h PHE 318 N 0.24 0.69 -0.92 0.41 0.04 -0.78 -2.07 116.94 114.55 3i2h h PHE 318 Ca 0.07 -0.20 0.04 0.00 2.80 0.00 0.00 57.97 60.68 3i2h h PHE 318 Cb 0.02 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 37.96 3i2h h PHE 318 CO -0.05 0.90 0.60 -0.44 -0.60 0.00 0.00 178.31 178.71 3i2h h ASP 319 N 0.48 0.98 -0.22 2.17 3.32 -0.37 0.30 116.42 123.08 3i2h h ASP 319 Ca 0.04 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3i2h h ASP 319 Cb 0.91 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3i2h h ASP 319 CO 0.08 0.66 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.16 3i2h h ARG 320 N 1.13 0.39 0.00 3.56 9.65 -0.87 -1.96 114.38 126.29 3i2h h ARG 320 Ca 0.38 -0.13 -0.25 0.00 -1.10 0.00 0.00 59.98 58.88 3i2h h ARG 320 Cb 0.06 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 3i2h h ARG 320 CO -0.14 0.59 -2.15 0.72 2.80 0.00 0.00 179.97 181.79 3i2h n HIS 321 N -4.66 0.15 -0.09 2.20 8.25 -0.80 -2.61 115.22 117.66 3i2h n HIS 321 Ca -0.04 0.05 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3i2h n HIS 321 Cb 0.24 -0.89 -0.16 0.00 1.12 0.00 0.00 29.99 30.31 3i2h n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i2h n LEU 322 N -2.65 0.06 0.00 2.41 4.32 0.10 -4.52 117.00 116.73 3i2h n LEU 322 Ca -0.22 0.03 0.06 0.00 -0.02 0.00 0.00 56.01 55.86 3i2h n LEU 322 Cb 0.96 0.43 -0.12 0.00 -1.62 0.00 0.00 43.42 43.08 3i2h n LEU 322 CO 0.44 0.45 -0.60 0.54 -1.22 0.00 0.00 177.39 177.00 3i2h n ARG 323 N -2.73 0.65 -1.37 3.23 1.74 -1.07 -4.83 116.66 112.28 3i2h n ARG 323 Ca -0.29 -0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 56.75 3i2h n ARG 323 Cb 1.10 -1.63 -0.00 0.00 -1.02 0.00 0.00 32.46 30.91 3i2h n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i2h n GLY 324 N 1.35 0.40 3.55 -0.13 0.00 -0.98 -5.00 105.19 104.37 3i2h n GLY 324 Ca -0.09 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3i2h n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2h s GLU 325 N -2.75 3.31 0.54 1.61 2.02 -0.77 -4.89 118.70 117.77 3i2h s GLU 325 Ca 0.00 -0.55 0.21 0.00 0.02 0.00 0.00 54.97 54.65 3i2h s GLU 325 Cb 0.00 -4.54 1.44 0.00 0.10 0.00 0.00 34.13 31.13 3i2h s GLU 325 CO 0.00 -2.15 2.16 1.79 0.02 0.00 0.00 175.26 177.08 3i2h h THR 326 N 6.25 0.83 -0.59 3.63 1.35 -1.88 -1.52 112.91 120.97 3i2h h THR 326 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3i2h h THR 326 Cb 1.04 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3i2h h THR 326 CO 1.32 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.92 3i2h n ASP 327 N -4.31 3.65 0.24 5.36 2.03 -1.26 -4.60 116.55 117.66 3i2h n ASP 327 Ca -0.02 -1.99 0.10 0.00 0.52 0.00 0.00 54.79 53.40 3i2h n ASP 327 Cb 0.15 -0.39 0.67 0.00 -0.72 0.00 0.00 41.12 40.82 3i2h n ASP 327 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i2h h ALA 328 N 3.90 2.01 -0.57 -1.67 0.00 -1.59 -2.05 119.26 119.28 3i2h h ALA 328 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i2h h ALA 328 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i2h h ALA 328 CO 0.00 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3i2h n LEU 329 N -4.47 5.05 -4.69 0.00 4.77 -1.26 -4.80 117.00 111.60 3i2h n LEU 329 Ca -0.02 -2.70 -0.44 0.00 -0.03 0.00 0.00 56.01 52.83 3i2h n LEU 329 Cb 0.13 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 3i2h n LEU 329 CO 0.34 0.72 1.29 0.00 -1.33 0.00 0.00 177.39 178.41 3i2h n ALA 330 N 0.74 2.10 -0.40 -1.18 0.00 -0.77 -1.74 120.51 119.25 3i2h n ALA 330 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3i2h n ALA 330 Cb 1.01 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3i2h n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2h n GLY 331 N 3.70 2.14 3.68 0.00 0.00 -1.26 -5.01 105.19 108.45 3i2h n GLY 331 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3i2h n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2h s VAL 332 N -3.39 4.89 0.68 1.61 1.01 -0.71 -5.04 120.40 119.45 3i2h s VAL 332 Ca 0.00 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 3i2h s VAL 332 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3i2h s VAL 332 CO 0.00 0.07 1.10 -2.16 0.00 0.00 0.00 175.10 174.11 3i2h s PRO 333 N 1.80 2.70 0.10 2.72 0.04 -1.26 -4.95 135.00 136.15 3i2h s PRO 333 Ca 0.41 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 3i2h s PRO 333 Cb -0.17 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3i2h s PRO 333 CO 0.16 -1.32 1.49 -0.22 0.04 0.00 0.00 177.00 177.15 3i2h h LYS 334 N -0.23 0.61 -4.43 4.56 1.63 -1.88 -3.45 116.57 113.37 3i2h h LYS 334 Ca -0.46 -0.24 -0.41 0.00 -0.85 0.00 0.00 60.65 58.69 3i2h h LYS 334 Cb 1.24 -0.03 -0.31 0.00 -0.60 0.00 0.00 32.23 32.53 3i2h h LYS 334 CO 0.54 0.81 -0.78 0.08 -3.45 0.00 0.00 179.45 176.65 3i2h s VAL 335 N -4.72 0.68 -0.13 2.00 1.01 -0.94 -1.19 120.40 117.11 3i2h s VAL 335 Ca -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3i2h s VAL 335 Cb 0.09 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.88 3i2h s VAL 335 CO 0.79 0.22 -0.01 -0.60 0.00 0.00 0.00 175.10 175.50 3i2h s ARG 336 N 0.29 0.94 0.01 2.72 3.52 0.21 -0.49 118.95 126.15 3i2h s ARG 336 Ca -0.04 -0.23 0.07 0.00 -0.13 0.00 0.00 55.73 55.40 3i2h s ARG 336 Cb -0.09 -1.60 -0.03 0.00 -1.56 0.00 0.00 34.95 31.68 3i2h s ARG 336 CO 0.00 -0.42 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.37 3i2h s LEU 337 N 1.83 2.48 -0.46 -0.88 1.43 -0.13 -1.38 118.68 121.58 3i2h s LEU 337 Ca 0.02 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 3i2h s LEU 337 Cb -0.14 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3i2h s LEU 337 CO -0.07 0.29 0.72 0.12 0.23 0.00 0.00 176.35 177.64 3i2h s PHE 338 N -0.81 3.01 -0.43 0.29 5.36 0.40 -0.48 117.98 125.32 3i2h s PHE 338 Ca 0.13 -0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 55.83 3i2h s PHE 338 Cb -0.10 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 39.04 3i2h s PHE 338 CO 0.03 -0.98 0.81 0.08 -1.46 0.00 0.00 175.22 173.70 3i2h s VAL 339 N 3.08 4.64 0.79 3.12 1.01 0.23 -4.76 120.40 128.51 3i2h s VAL 339 Ca 0.25 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 3i2h s VAL 339 Cb -0.14 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.99 3i2h s VAL 339 CO 0.20 -0.66 1.09 -0.04 0.00 0.00 0.00 175.10 175.68 3i2h s MET 340 N 3.33 2.15 0.00 2.72 1.00 -0.45 -0.95 119.30 127.10 3i2h s MET 340 Ca 0.32 0.81 0.00 0.00 0.00 0.00 0.00 55.69 56.81 3i2h s MET 340 Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 34.83 32.80 3i2h s MET 340 CO 0.22 -1.62 0.00 0.41 0.00 0.00 0.00 175.02 174.03 3i2h n GLY 341 N -1.79 2.08 0.27 -0.03 0.00 -1.26 -0.45 105.19 104.00 3i2h n GLY 341 Ca 0.07 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.91 3i2h n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i2h h ILE 342 N 0.00 0.33 -6.06 -0.61 3.07 -1.76 -3.48 117.51 109.01 3i2h h ILE 342 Ca 0.00 -0.54 -0.40 0.00 1.55 0.00 0.00 64.86 65.47 3i2h h ILE 342 Cb 0.00 1.40 0.09 0.00 -0.27 0.00 0.00 36.82 38.04 3i2h h ILE 342 CO 0.00 0.09 -0.88 0.47 -1.05 0.00 0.00 178.15 176.77 3i2h n ASP 343 N -3.37 -3.64 -3.95 2.16 8.00 -0.13 -5.01 116.55 110.62 3i2h n ASP 343 Ca -0.01 -0.89 -0.11 0.00 0.71 0.00 0.00 54.79 54.49 3i2h n ASP 343 Cb 0.26 -3.94 -0.12 0.00 -0.02 0.00 0.00 41.12 37.30 3i2h n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i2h s GLU 344 N -5.74 0.23 0.36 -1.24 2.02 -0.88 -4.95 118.70 108.51 3i2h s GLU 344 Ca 0.26 -0.36 -0.26 0.00 0.02 0.00 0.00 54.97 54.63 3i2h s GLU 344 Cb -0.08 -0.02 -0.09 0.00 0.10 0.00 0.00 34.13 34.05 3i2h s GLU 344 CO 0.82 -0.01 1.12 -1.58 0.02 0.00 0.00 175.26 175.64 3i2h s TRP 345 N -0.80 3.26 -0.10 1.61 0.52 -1.26 -0.60 118.94 121.58 3i2h s TRP 345 Ca -0.08 1.61 -0.08 0.00 0.02 0.00 0.00 56.10 57.58 3i2h s TRP 345 Cb -0.06 -3.30 0.03 0.00 -1.15 0.00 0.00 33.47 28.99 3i2h s TRP 345 CO -0.00 -0.94 0.25 0.50 0.02 0.00 0.00 176.95 176.77 3i2h s ARG 346 N -2.10 0.27 0.15 4.98 3.52 0.37 -4.91 118.95 121.21 3i2h s ARG 346 Ca 0.54 0.40 -0.20 0.00 -0.13 0.00 0.00 55.73 56.34 3i2h s ARG 346 Cb -0.29 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.09 3i2h s ARG 346 CO 0.37 -0.07 0.65 -0.51 -0.81 0.00 0.00 175.30 174.93 3i2h s ASP 347 N 0.47 7.08 0.18 -2.12 1.01 -1.26 -0.95 116.67 121.09 3i2h s ASP 347 Ca -0.03 1.35 0.03 0.00 0.71 0.00 0.00 52.55 54.61 3i2h s ASP 347 Cb -0.04 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 3i2h s ASP 347 CO -0.02 0.16 -0.02 -1.61 0.21 0.00 0.00 175.17 173.88 3i2h s GLU 348 N -1.53 1.15 0.03 8.23 0.41 0.35 -4.97 118.70 122.36 3i2h s GLU 348 Ca 0.36 -1.55 0.23 0.00 -0.41 0.00 0.00 54.97 53.60 3i2h s GLU 348 Cb -0.19 -0.41 0.02 0.00 -1.78 0.00 0.00 34.13 31.77 3i2h s GLU 348 CO 0.21 -0.08 1.01 0.25 -0.49 0.00 0.00 175.26 176.15 3i2h n THR 349 N -0.27 0.11 -3.48 3.63 -2.24 -1.26 -2.21 114.28 108.56 3i2h n THR 349 Ca -0.07 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3i2h n THR 349 Cb 0.63 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 3i2h n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i2h s ASP 350 N -3.68 -0.48 -0.06 3.42 -1.08 -1.26 -4.75 116.67 108.77 3i2h s ASP 350 Ca 0.05 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 3i2h s ASP 350 Cb 0.15 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 42.18 3i2h s ASP 350 CO 0.81 -0.89 -0.04 0.86 0.52 0.00 0.00 175.17 176.43 3i2h s TRP 351 N -3.57 0.84 0.89 -5.34 -0.11 -1.26 -3.66 118.94 106.73 3i2h s TRP 351 Ca 0.03 -0.27 -0.13 0.00 1.22 0.00 0.00 56.10 56.96 3i2h s TRP 351 Cb -0.01 -0.78 0.06 0.00 -1.50 0.00 0.00 33.47 31.24 3i2h s TRP 351 CO -0.10 -0.27 0.76 -2.30 -4.62 0.00 0.00 176.95 170.42 3i2h n PRO 352 N 4.44 -0.17 -1.96 5.86 -0.02 -1.26 -4.72 135.00 137.17 3i2h n PRO 352 Ca -0.18 0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 60.91 3i2h n PRO 352 Cb 0.51 -2.10 -0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3i2h n PRO 352 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i2h s LEU 353 N -3.25 4.23 0.28 2.45 1.02 -1.24 -4.91 118.68 117.26 3i2h s LEU 353 Ca 0.64 2.78 0.02 0.00 0.02 0.00 0.00 54.13 57.58 3i2h s LEU 353 Cb -0.25 -3.85 0.60 0.00 0.02 0.00 0.00 46.19 42.72 3i2h s LEU 353 CO 0.61 -0.89 1.78 -0.65 0.02 0.00 0.00 176.35 177.21 3i2h h PRO 354 N 2.72 0.72 -0.68 1.29 0.11 -1.98 -2.93 132.00 131.25 3i2h h PRO 354 Ca -0.50 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3i2h h PRO 354 Cb 1.25 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3i2h h PRO 354 CO 0.63 0.48 0.09 -0.25 -0.21 0.00 0.00 178.00 178.73 3i2h n ASP 355 N -4.79 5.01 -4.68 -2.05 8.00 -1.26 -4.97 116.55 111.81 3i2h n ASP 355 Ca 0.19 -2.92 -0.42 0.00 0.71 0.00 0.00 54.79 52.35 3i2h n ASP 355 Cb 0.46 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 3i2h n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i2h s THR 356 N -2.63 3.56 -0.48 -3.53 2.01 -1.11 -4.78 115.64 108.68 3i2h s THR 356 Ca 0.49 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 63.21 3i2h s THR 356 Cb 0.38 -3.56 0.08 0.00 0.01 0.00 0.00 72.50 69.41 3i2h s THR 356 CO 0.14 -0.03 0.40 0.00 -0.69 0.00 0.00 174.62 174.44 3i2h s ALA 357 N 3.02 3.56 -0.64 7.40 0.00 -0.30 -4.92 121.76 129.89 3i2h s ALA 357 Ca 0.68 -2.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.18 3i2h s ALA 357 Cb -0.33 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3i2h s ALA 357 CO 0.28 -1.77 1.39 0.71 0.00 0.00 0.00 175.76 176.36 3i2h s TYR 358 N 1.62 2.25 -0.21 0.00 2.02 -1.26 -0.96 117.35 120.81 3i2h s TYR 358 Ca 0.04 0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 57.03 3i2h s TYR 358 Cb -0.25 -4.46 0.01 0.00 -0.40 0.00 0.00 41.96 36.85 3i2h s TYR 358 CO 0.06 -2.00 -0.11 0.99 -1.57 0.00 0.00 175.55 172.92 3i2h s THR 359 N 6.15 2.77 0.17 -0.71 2.01 0.04 -4.89 115.64 121.18 3i2h s THR 359 Ca 0.46 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.39 3i2h s THR 359 Cb -0.09 -2.26 -0.09 0.00 0.01 0.00 0.00 72.50 70.07 3i2h s THR 359 CO 0.21 0.42 1.39 -2.84 -0.69 0.00 0.00 174.62 173.11 3i2h s PRO 360 N 1.38 4.32 -0.28 4.92 0.02 -1.26 -0.99 135.00 143.10 3i2h s PRO 360 Ca 0.04 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 3i2h s PRO 360 Cb -0.14 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.22 3i2h s PRO 360 CO -0.07 -0.39 -0.02 -0.06 -0.33 0.00 0.00 177.00 176.13 3i2h s PHE 361 N 0.60 3.18 0.16 6.54 0.40 0.97 -4.46 117.98 125.37 3i2h s PHE 361 Ca 0.62 -1.72 -0.25 0.00 -0.60 0.00 0.00 56.93 54.98 3i2h s PHE 361 Cb -0.38 -2.09 -0.08 0.00 0.51 0.00 0.00 43.02 40.98 3i2h s PHE 361 CO 0.35 -0.77 0.77 0.71 0.70 0.00 0.00 175.22 176.98 3i2h s TYR 362 N 1.29 3.90 0.18 0.36 2.02 0.15 -1.09 117.35 124.17 3i2h s TYR 362 Ca -0.03 1.62 -0.30 0.00 -0.37 0.00 0.00 57.07 57.99 3i2h s TYR 362 Cb -0.18 -2.75 -0.08 0.00 -0.40 0.00 0.00 41.96 38.54 3i2h s TYR 362 CO -0.02 0.52 1.18 -0.51 -1.57 0.00 0.00 175.55 175.15 3i2h s LEU 363 N -1.14 4.45 0.00 -1.29 1.43 -0.58 -2.19 118.68 119.37 3i2h s LEU 363 Ca 0.35 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3i2h s LEU 363 Cb -0.23 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3i2h s LEU 363 CO 0.26 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3i2h n GLY 364 N 2.21 3.05 0.00 -3.19 0.00 -0.34 -4.58 105.19 102.34 3i2h n GLY 364 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3i2h n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2h n GLY 365 N 0.00 3.66 3.76 -0.02 0.00 -1.26 -0.84 105.19 110.49 3i2h n GLY 365 Ca 0.00 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 3i2h n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2h s SER 366 N 0.00 7.55 0.00 1.61 0.01 -1.25 -4.90 113.70 116.71 3i2h s SER 366 Ca 0.00 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.09 3i2h s SER 366 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3i2h s SER 366 CO 0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 3i2h n GLY 367 N 1.62 -0.14 3.69 3.44 0.00 -1.26 -4.17 105.19 108.36 3i2h n GLY 367 Ca -0.03 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 3i2h n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2h s ALA 368 N -1.37 3.31 -2.30 4.61 0.00 -1.26 -4.88 121.76 119.87 3i2h s ALA 368 Ca 0.00 -0.79 0.24 0.00 0.00 0.00 0.00 51.96 51.41 3i2h s ALA 368 Cb 0.00 -1.53 0.99 0.00 0.00 0.00 0.00 23.12 22.58 3i2h s ALA 368 CO 0.00 0.56 1.69 0.00 0.00 0.00 0.00 175.76 178.01 3i2h n ALA 369 N 2.23 2.56 -1.76 0.00 0.00 -1.26 -1.32 120.51 120.97 3i2h n ALA 369 Ca -0.19 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 3i2h n ALA 369 Cb 0.54 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3i2h n ALA 369 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i2h s ASN 370 N -1.75 6.40 0.28 0.00 -0.87 -1.26 -1.21 114.94 116.52 3i2h s ASN 370 Ca 0.35 2.86 0.00 0.00 -1.57 0.00 0.00 52.86 54.50 3i2h s ASN 370 Cb 0.19 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 3i2h s ASN 370 CO 0.29 -0.94 0.00 0.35 -2.57 0.00 0.00 177.10 174.23 3i2h n THR 371 N 3.52 -0.29 0.41 1.60 -2.24 0.11 -3.40 114.28 113.98 3i2h n THR 371 Ca 0.14 0.38 0.13 0.00 -2.27 0.00 0.00 64.05 62.42 3i2h n THR 371 Cb 0.36 -0.61 0.50 0.00 -2.10 0.00 0.00 70.33 68.48 3i2h n THR 371 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3i2h h SER 372 N -0.68 0.00 -0.52 3.42 4.64 -1.47 -2.40 113.55 116.55 3i2h h SER 372 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3i2h h SER 372 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3i2h h SER 372 CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 3i2h n THR 373 N -2.36 0.68 -0.88 2.95 -2.24 -1.26 -4.93 114.28 106.24 3i2h n THR 373 Ca 0.02 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 60.98 3i2h n THR 373 Cb 0.27 0.64 0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3i2h n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2h n GLY 374 N 1.50 -1.71 1.33 3.38 0.00 -0.90 -5.00 105.19 103.78 3i2h n GLY 374 Ca 0.21 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.74 3i2h n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2h n GLY 375 N 3.01 2.72 3.72 -0.02 0.00 -0.43 -4.95 105.19 109.23 3i2h n GLY 375 Ca 0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3i2h n GLY 375 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2h s GLY 376 N -1.01 1.39 0.26 -0.02 0.00 -1.24 -3.90 107.32 102.81 3i2h s GLY 376 Ca 0.46 1.47 0.11 0.00 0.00 0.00 0.00 44.72 46.76 3i2h s GLY 376 CO 0.26 2.77 -0.20 -0.51 0.00 0.00 0.00 173.10 175.43 3i2h s THR 377 N 1.26 2.35 -0.03 0.90 -4.23 -0.02 -2.04 115.64 113.84 3i2h s THR 377 Ca 0.73 -2.34 0.06 0.00 -1.18 0.00 0.00 61.69 58.96 3i2h s THR 377 Cb -0.46 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 3i2h s THR 377 CO 0.32 -0.40 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.02 3i2h s LEU 378 N -3.39 2.02 -0.06 4.79 1.43 -0.31 -1.20 118.68 121.97 3i2h s LEU 378 Ca 0.28 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 3i2h s LEU 378 Cb -0.05 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 45.05 3i2h s LEU 378 CO 0.13 0.24 0.47 -0.55 0.23 0.00 0.00 176.35 176.87 3i2h s SER 379 N -0.32 -0.41 0.00 2.29 0.15 -0.93 -4.20 113.70 110.29 3i2h s SER 379 Ca 0.03 0.47 0.20 0.00 0.70 0.00 0.00 55.95 57.35 3i2h s SER 379 Cb -0.10 0.53 0.86 0.00 -1.71 0.00 0.00 66.02 65.59 3i2h s SER 379 CO 0.01 -0.44 1.63 0.35 1.20 0.00 0.00 173.24 175.99 3i2h n THR 380 N 1.47 0.62 -3.56 6.45 -2.24 -1.26 0.35 114.28 116.11 3i2h n THR 380 Ca -0.19 0.16 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 3i2h n THR 380 Cb 0.56 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 3i2h n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i2h s SER 381 N -2.96 6.73 0.37 3.42 0.01 -1.26 -4.83 113.70 115.17 3i2h s SER 381 Ca 0.10 0.86 -0.28 0.00 1.31 0.00 0.00 55.95 57.95 3i2h s SER 381 Cb 0.13 -2.22 -0.11 0.00 0.21 0.00 0.00 66.02 64.03 3i2h s SER 381 CO 0.35 0.32 1.46 -0.38 0.41 0.00 0.00 173.24 175.40 3i2h n ILE 382 N 1.97 1.99 -1.94 1.44 5.41 -1.26 -4.60 119.36 122.37 3i2h n ILE 382 Ca -0.15 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.70 3i2h n ILE 382 Cb 0.53 -1.91 -0.00 0.00 -0.71 0.00 0.00 39.64 37.55 3i2h n ILE 382 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i2h s SER 383 N -0.15 6.37 0.07 4.38 0.15 -1.26 -4.96 113.70 118.30 3i2h s SER 383 Ca 0.54 2.85 0.09 0.00 0.70 0.00 0.00 55.95 60.13 3i2h s SER 383 Cb -0.49 -2.65 -0.22 0.00 -1.71 0.00 0.00 66.02 60.95 3i2h s SER 383 CO 0.63 -0.83 1.09 1.23 1.20 0.00 0.00 173.24 176.57 3i2h h GLY 384 N 2.92 0.00 -5.44 9.45 0.00 -1.93 -2.94 103.07 105.14 3i2h h GLY 384 Ca -0.50 -0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.16 3i2h h GLY 384 CO 0.64 0.00 -0.81 -0.51 0.00 0.00 0.00 176.54 175.86 3i2h s THR 385 N -2.68 2.65 0.18 4.70 -4.23 -1.26 -4.65 115.64 110.36 3i2h s THR 385 Ca -0.01 -0.81 -0.32 0.00 -1.18 0.00 0.00 61.69 59.37 3i2h s THR 385 Cb 0.09 -2.07 -0.11 0.00 1.34 0.00 0.00 72.50 71.75 3i2h s THR 385 CO 0.82 0.54 1.70 -1.61 -0.54 0.00 0.00 174.62 175.54 3i2h s GLU 386 N 0.25 4.15 0.28 3.99 0.41 -1.26 -4.38 118.70 122.14 3i2h s GLU 386 Ca -0.12 2.54 -0.11 0.00 -0.41 0.00 0.00 54.97 56.87 3i2h s GLU 386 Cb -0.16 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3i2h s GLU 386 CO 0.06 -0.73 0.50 0.45 -0.49 0.00 0.00 175.26 175.05 3i2h s SER 387 N 1.49 0.14 -0.12 -0.19 0.15 0.37 -4.99 113.70 110.54 3i2h s SER 387 Ca 0.75 -1.07 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 3i2h s SER 387 Cb -0.47 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 3i2h s SER 387 CO 0.33 -1.22 0.40 0.00 1.20 0.00 0.00 173.24 173.94 3i2h s ALA 388 N -3.67 -0.98 -0.12 5.45 0.00 -1.26 -1.33 121.76 119.86 3i2h s ALA 388 Ca 0.24 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 3i2h s ALA 388 Cb -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3i2h s ALA 388 CO 0.12 -0.21 -0.02 -0.51 0.00 0.00 0.00 175.76 175.14 3i2h s ASP 389 N -0.09 5.00 0.02 0.00 1.01 -0.07 -4.95 116.67 117.58 3i2h s ASP 389 Ca -0.03 0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.30 3i2h s ASP 389 Cb -0.03 -1.57 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 3i2h s ASP 389 CO 0.01 0.28 -0.18 -0.89 0.21 0.00 0.00 175.17 174.61 3i2h s THR 390 N -0.31 1.39 0.14 -1.27 2.01 -1.26 -0.62 115.64 115.72 3i2h s THR 390 Ca 0.06 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 3i2h s THR 390 Cb -0.12 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.21 3i2h s THR 390 CO 0.02 0.25 0.34 -0.72 -0.69 0.00 0.00 174.62 173.82 3i2h s TYR 391 N -0.62 0.04 -0.24 4.92 -0.85 -0.45 -4.96 117.35 115.18 3i2h s TYR 391 Ca 0.06 -0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 56.06 3i2h s TYR 391 Cb -0.07 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 3i2h s TYR 391 CO 0.00 -0.70 0.37 -1.17 -1.52 0.00 0.00 175.55 172.53 3i2h s LEU 392 N -2.87 4.08 -0.33 -3.49 2.96 -1.26 -0.89 118.68 116.89 3i2h s LEU 392 Ca 0.08 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 3i2h s LEU 392 Cb 0.02 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3i2h s LEU 392 CO -0.07 -0.13 0.26 -0.47 -1.32 0.00 0.00 176.35 174.61 3i2h s TYR 393 N 1.74 3.22 -0.30 5.38 5.04 0.62 -4.71 117.35 128.34 3i2h s TYR 393 Ca 0.16 -0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.65 3i2h s TYR 393 Cb -0.15 -2.50 0.03 0.00 0.35 0.00 0.00 41.96 39.69 3i2h s TYR 393 CO 0.09 -0.33 0.04 0.34 -1.34 0.00 0.00 175.55 174.35 3i2h s ASP 394 N 1.73 4.97 0.59 4.32 -1.08 -1.26 -0.91 116.67 125.03 3i2h s ASP 394 Ca 0.08 -0.95 0.29 0.00 -0.52 0.00 0.00 52.55 51.45 3i2h s ASP 394 Cb -0.17 -1.81 1.56 0.00 -1.46 0.00 0.00 42.92 41.05 3i2h s ASP 394 CO 0.11 -0.23 1.98 -0.65 0.52 0.00 0.00 175.17 176.91 3i2h h PRO 395 N 8.15 0.00 0.00 4.34 0.11 -1.83 0.13 132.00 142.89 3i2h h PRO 395 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i2h h PRO 395 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i2h h PRO 395 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3i2h h ALA 396 N 1.58 1.00 -2.10 -0.75 0.00 -1.94 -3.33 119.26 113.72 3i2h h ALA 396 Ca 0.15 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.49 3i2h h ALA 396 Cb 0.86 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.26 3i2h h ALA 396 CO -0.00 0.00 -1.02 -3.47 0.00 0.00 0.00 179.25 174.76 3i2h n ASP 397 N -2.63 0.55 -4.83 0.00 2.03 0.45 -5.12 116.55 107.00 3i2h n ASP 397 Ca 0.02 -2.74 -0.31 0.00 0.52 0.00 0.00 54.79 52.28 3i2h n ASP 397 Cb 0.27 -0.63 0.05 0.00 -0.72 0.00 0.00 41.12 40.09 3i2h n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i2h s PRO 398 N -1.15 2.94 0.03 -0.67 0.04 -1.22 -4.56 135.00 130.40 3i2h s PRO 398 Ca 0.35 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 3i2h s PRO 398 Cb 0.14 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3i2h s PRO 398 CO -0.11 -1.06 1.50 0.08 0.04 0.00 0.00 177.00 177.44 3i2h s VAL 399 N -3.12 3.44 0.36 -0.36 1.01 -1.26 -4.90 120.40 115.58 3i2h s VAL 399 Ca 0.58 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 3i2h s VAL 399 Cb -0.13 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 3i2h s VAL 399 CO 0.54 -0.00 1.27 -2.16 0.00 0.00 0.00 175.10 174.75 3i2h s PRO 400 N 2.46 4.22 0.26 2.72 0.04 -1.26 -1.15 135.00 142.29 3i2h s PRO 400 Ca 0.68 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.53 3i2h s PRO 400 Cb -0.35 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3i2h s PRO 400 CO 0.29 -0.27 1.31 -1.12 0.04 0.00 0.00 177.00 177.25 3i2h s SER 401 N -0.69 6.85 -0.29 6.66 0.01 0.27 -4.69 113.70 121.82 3i2h s SER 401 Ca 0.52 2.53 -0.03 0.00 1.31 0.00 0.00 55.95 60.28 3i2h s SER 401 Cb -0.37 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.34 3i2h s SER 401 CO 0.49 -0.52 0.17 -0.22 0.41 0.00 0.00 173.24 173.57 3i2h s LEU 402 N -0.85 0.34 0.00 2.44 2.96 -1.26 -4.91 118.68 117.40 3i2h s LEU 402 Ca 0.53 -1.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3i2h s LEU 402 Cb -0.38 -0.12 0.00 0.00 0.50 0.00 0.00 46.19 46.19 3i2h s LEU 402 CO 0.44 -0.43 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 3i2h n GLY 403 N 5.26 1.43 7.00 7.98 0.00 -1.25 -4.56 105.19 121.05 3i2h n GLY 403 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3i2h n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2h n GLY 404 N 0.00 1.92 1.91 -0.02 0.00 0.43 -3.56 105.19 105.86 3i2h n GLY 404 Ca 0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 3i2h n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2h n THR 405 N 0.00 3.02 -1.64 2.61 -2.24 -1.26 -4.43 114.28 110.34 3i2h n THR 405 Ca 0.00 -2.23 -0.43 0.00 -2.27 0.00 0.00 64.05 59.12 3i2h n THR 405 Cb 0.00 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3i2h n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i2h n LEU 406 N -1.13 2.76 -0.10 3.22 4.77 -1.23 -3.79 117.00 121.50 3i2h n LEU 406 Ca 0.52 1.13 -0.19 0.00 -0.03 0.00 0.00 56.01 57.44 3i2h n LEU 406 Cb 1.45 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3i2h n LEU 406 CO 0.49 -1.10 -1.04 0.18 -1.33 0.00 0.00 177.39 174.58 3i2h n LEU 407 N 0.76 1.63 -0.03 2.23 4.77 -1.26 -4.51 117.00 120.60 3i2h n LEU 407 Ca 0.08 0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 3i2h n LEU 407 Cb 0.36 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3i2h n LEU 407 CO 0.59 0.20 -0.67 0.49 -1.33 0.00 0.00 177.39 176.68 3i2h n PHE 408 N -4.08 0.00 -2.80 -1.77 3.72 -1.26 -4.40 117.46 106.86 3i2h n PHE 408 Ca -0.34 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.63 3i2h n PHE 408 Cb 0.69 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 3i2h n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i2h s HIS 409 N -2.12 2.89 -1.38 1.38 2.46 -1.26 -4.31 115.29 112.95 3i2h s HIS 409 Ca -0.05 0.36 -0.15 0.00 0.47 0.00 0.00 55.06 55.69 3i2h s HIS 409 Cb 0.02 -4.03 0.02 0.00 -0.13 0.00 0.00 32.58 28.46 3i2h s HIS 409 CO 0.17 -1.15 0.35 0.09 -2.47 0.00 0.00 174.74 171.73 3i2h n ASN 410 N 7.27 -1.47 -1.15 9.88 3.02 -1.26 -4.82 115.26 126.73 3i2h n ASN 410 Ca 0.06 -1.25 0.05 0.00 -0.03 0.00 0.00 54.58 53.41 3i2h n ASN 410 Cb 0.48 -1.84 0.22 0.00 -0.61 0.00 0.00 39.78 38.03 3i2h n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2h n GLY 411 N -2.30 1.95 0.66 7.41 0.00 -1.26 -4.12 105.19 107.53 3i2h n GLY 411 Ca -0.23 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.36 3i2h n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i2h n ASP 412 N 0.47 3.13 -2.77 1.61 5.75 -1.26 -4.33 116.55 119.15 3i2h n ASP 412 Ca 0.15 -3.17 -0.10 0.00 -0.01 0.00 0.00 54.79 51.66 3i2h n ASP 412 Cb 0.67 -0.52 0.04 0.00 -1.03 0.00 0.00 41.12 40.28 3i2h n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i2h n ASN 413 N -0.91 0.53 -0.14 -1.12 5.15 -1.26 -4.76 115.26 112.75 3i2h n ASN 413 Ca 0.21 -2.77 -0.13 0.00 -0.60 0.00 0.00 54.58 51.29 3i2h n ASN 413 Cb 0.82 -0.14 -0.09 0.00 -0.53 0.00 0.00 39.78 39.84 3i2h n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3i2h h GLY 414 N 2.82 -1.06 -5.26 8.20 0.00 -1.84 -2.79 103.07 103.14 3i2h h GLY 414 Ca -0.10 0.73 -0.61 0.00 0.00 0.00 0.00 47.33 47.36 3i2h h GLY 414 CO 0.38 -0.15 3.44 -1.55 0.00 0.00 0.00 176.54 178.66 3i2h n PRO 415 N -5.22 3.16 -2.75 4.80 -0.04 -1.26 -0.43 135.00 133.25 3i2h n PRO 415 Ca -0.03 -2.06 -0.38 0.00 -0.04 0.00 0.00 63.50 60.99 3i2h n PRO 415 Cb 0.32 -2.78 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 3i2h n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2h s ALA 416 N 2.67 3.26 0.04 0.55 0.00 -1.05 -4.52 121.76 122.71 3i2h s ALA 416 Ca 0.60 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3i2h s ALA 416 Cb 0.16 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 3i2h s ALA 416 CO -0.05 0.16 1.49 0.34 0.00 0.00 0.00 175.76 177.70 3i2h s ASP 417 N -1.44 6.75 0.00 0.00 2.15 -1.26 -1.71 116.67 121.16 3i2h s ASP 417 Ca 0.47 2.28 0.27 0.00 0.43 0.00 0.00 52.55 56.00 3i2h s ASP 417 Cb -0.22 -2.56 0.86 0.00 -0.30 0.00 0.00 42.92 40.70 3i2h s ASP 417 CO 0.27 -0.77 1.63 0.00 -0.17 0.00 0.00 175.17 176.13 3i2h n GLN 418 N 5.27 0.62 -0.31 4.34 1.13 0.88 -4.41 117.38 124.91 3i2h n GLN 418 Ca 0.14 -0.32 0.19 0.00 -1.94 0.00 0.00 57.00 55.07 3i2h n GLN 418 Cb 0.42 -1.49 0.46 0.00 0.11 0.00 0.00 30.24 29.74 3i2h n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i2h h ARG 419 N 0.78 0.48 -0.24 -1.09 3.08 -1.91 -1.40 114.38 114.08 3i2h h ARG 419 Ca 0.00 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3i2h h ARG 419 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3i2h h ARG 419 CO 0.00 0.32 0.25 -1.35 -1.07 0.00 0.00 179.97 178.12 3i2h h PRO 420 N 0.50 0.00 0.00 0.04 0.11 -1.99 -3.32 132.00 127.34 3i2h h PRO 420 Ca 0.57 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.60 3i2h h PRO 420 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3i2h h PRO 420 CO -0.30 0.00 -1.28 0.44 -0.21 0.00 0.00 178.00 176.64 3i2h n ILE 421 N -3.83 0.28 0.21 4.15 -6.64 -0.58 -4.62 119.36 108.33 3i2h n ILE 421 Ca 0.03 -0.14 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 3i2h n ILE 421 Cb 0.39 -0.77 0.00 0.00 -1.44 0.00 0.00 39.64 37.82 3i2h n ILE 421 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i2h n HIS 422 N -2.44 0.00 0.45 4.28 1.44 -0.86 -0.27 115.22 117.82 3i2h n HIS 422 Ca -0.08 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.74 3i2h n HIS 422 Cb 0.61 -0.01 -0.01 0.00 0.12 0.00 0.00 29.99 30.70 3i2h n HIS 422 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3i2h n ASP 423 N 0.06 0.58 -4.77 4.39 5.75 -1.26 -1.37 116.55 119.93 3i2h n ASP 423 Ca 0.00 -0.13 -0.38 0.00 -0.01 0.00 0.00 54.79 54.27 3i2h n ASP 423 Cb 0.02 0.90 -0.02 0.00 -1.03 0.00 0.00 41.12 41.00 3i2h n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i2h s ARG 424 N -3.25 3.95 0.61 0.11 0.52 0.63 -4.74 118.95 116.76 3i2h s ARG 424 Ca 0.02 1.80 0.35 0.00 -0.52 0.00 0.00 55.73 57.38 3i2h s ARG 424 Cb 0.14 -2.57 1.97 0.00 0.52 0.00 0.00 34.95 35.01 3i2h s ARG 424 CO 0.82 -0.40 2.26 0.22 0.02 0.00 0.00 175.30 178.21 3i2h h ASP 425 N 2.41 0.00 -0.37 0.23 3.58 -1.93 -1.25 116.42 119.08 3i2h h ASP 425 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 3i2h h ASP 425 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3i2h h ASP 425 CO 0.62 0.02 0.00 -0.90 -2.88 0.00 0.00 179.24 176.09 3i2h n ASP 426 N -3.51 2.31 -4.25 2.28 5.75 -1.26 -4.57 116.55 113.31 3i2h n ASP 426 Ca -0.03 -1.92 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 3i2h n ASP 426 Cb 0.11 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 39.85 3i2h n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i2h s VAL 427 N -1.51 4.01 -0.09 2.12 1.01 -0.47 -4.42 120.40 121.05 3i2h s VAL 427 Ca 0.31 -1.44 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3i2h s VAL 427 Cb 0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3i2h s VAL 427 CO 0.23 -0.47 0.69 -0.76 0.00 0.00 0.00 175.10 174.79 3i2h s LEU 428 N 1.38 4.29 -0.08 3.92 1.43 -0.02 -0.71 118.68 128.89 3i2h s LEU 428 Ca 0.03 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 3i2h s LEU 428 Cb -0.22 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 3i2h s LEU 428 CO 0.01 -0.14 -0.22 0.00 0.23 0.00 0.00 176.35 176.24 3i2h s TYR 430 N 0.03 0.97 0.07 0.00 1.51 -0.47 -3.60 117.35 115.87 3i2h s TYR 430 Ca -0.08 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 3i2h s TYR 430 Cb -0.15 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 3i2h s TYR 430 CO 0.05 -0.29 -0.13 -1.12 -1.11 0.00 0.00 175.55 172.96 3i2h s SER 431 N 1.23 1.53 0.86 2.29 0.01 -0.86 -0.71 113.70 118.04 3i2h s SER 431 Ca -0.06 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 3i2h s SER 431 Cb -0.14 -0.03 0.11 0.00 0.21 0.00 0.00 66.02 66.17 3i2h s SER 431 CO -0.02 -0.12 1.12 0.42 0.41 0.00 0.00 173.24 175.05 3i2h s THR 432 N -1.46 2.42 1.07 1.44 -4.23 -0.23 -1.17 115.64 113.48 3i2h s THR 432 Ca -0.02 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 3i2h s THR 432 Cb -0.09 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 71.08 3i2h s THR 432 CO 0.02 -0.18 1.07 -1.61 -0.54 0.00 0.00 174.62 173.38 3i2h s GLU 433 N -5.25 -0.16 0.17 3.99 0.41 -1.26 -4.69 118.70 111.90 3i2h s GLU 433 Ca 0.62 1.02 -0.32 0.00 -0.41 0.00 0.00 54.97 55.89 3i2h s GLU 433 Cb -0.14 -1.63 -0.11 0.00 -1.78 0.00 0.00 34.13 30.47 3i2h s GLU 433 CO 0.53 -3.26 1.67 0.08 -0.49 0.00 0.00 175.26 173.79 3i2h s VAL 434 N -2.57 2.42 0.16 2.63 1.01 -1.26 -4.66 120.40 118.12 3i2h s VAL 434 Ca 0.67 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3i2h s VAL 434 Cb -0.23 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 3i2h s VAL 434 CO 0.62 0.01 1.06 -0.76 0.00 0.00 0.00 175.10 176.03 3i2h s LEU 435 N 1.51 4.49 -0.08 3.92 1.43 -0.08 -4.87 118.68 125.00 3i2h s LEU 435 Ca 0.74 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.85 3i2h s LEU 435 Cb -0.46 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 41.91 3i2h s LEU 435 CO 0.32 -0.17 0.53 0.71 0.23 0.00 0.00 176.35 177.97 3i2h h THR 436 N 3.82 0.75 -3.32 5.49 1.35 -1.91 0.16 112.91 119.26 3i2h h THR 436 Ca -0.44 -2.52 -0.65 0.00 -0.55 0.00 0.00 66.41 62.25 3i2h h THR 436 Cb 1.21 2.49 -0.16 0.00 -1.73 0.00 0.00 68.15 69.96 3i2h h THR 436 CO 0.72 0.72 -0.75 -1.81 -0.25 0.00 0.00 175.52 174.15 3i2h s ASP 437 N -6.65 4.13 0.55 5.36 1.01 -1.26 -4.56 116.67 115.25 3i2h s ASP 437 Ca -0.14 -0.56 -0.20 0.00 0.71 0.00 0.00 52.55 52.36 3i2h s ASP 437 Cb 0.07 -0.66 -0.05 0.00 1.01 0.00 0.00 42.92 43.29 3i2h s ASP 437 CO 0.80 0.14 1.21 -2.16 0.21 0.00 0.00 175.17 175.37 3i2h s PRO 438 N -2.52 3.20 -0.14 8.23 0.04 -1.26 -4.52 135.00 138.04 3i2h s PRO 438 Ca 0.22 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 3i2h s PRO 438 Cb -0.10 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.39 3i2h s PRO 438 CO 0.13 -1.03 -0.06 0.08 0.04 0.00 0.00 177.00 176.16 3i2h s VAL 439 N -1.56 1.04 -0.16 -0.36 1.01 -0.38 -4.98 120.40 115.01 3i2h s VAL 439 Ca 0.73 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 3i2h s VAL 439 Cb -0.31 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3i2h s VAL 439 CO 0.35 0.25 0.38 -0.70 0.00 0.00 0.00 175.10 175.38 3i2h s GLU 440 N 1.68 4.26 -0.30 2.72 2.12 -1.25 -0.62 118.70 127.30 3i2h s GLU 440 Ca 0.03 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.62 3i2h s GLU 440 Cb -0.14 -3.47 0.08 0.00 0.26 0.00 0.00 34.13 30.86 3i2h s GLU 440 CO -0.08 0.12 -0.02 0.08 -0.54 0.00 0.00 175.26 174.83 3i2h s VAL 441 N 0.80 2.36 -0.18 3.70 1.01 0.34 -1.19 120.40 127.24 3i2h s VAL 441 Ca 0.20 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.23 3i2h s VAL 441 Cb -0.14 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.75 3i2h s VAL 441 CO 0.07 -0.30 0.05 -0.89 0.00 0.00 0.00 175.10 174.03 3i2h s THR 442 N 1.04 0.33 -5.00 3.92 2.01 -0.32 -0.73 115.64 116.89 3i2h s THR 442 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3i2h s THR 442 Cb -0.20 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.45 3i2h s THR 442 CO -0.06 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 3i2h n GLY 443 N 5.12 -0.20 3.78 4.40 0.00 -0.40 -4.74 105.19 113.16 3i2h n GLY 443 Ca -0.08 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 3i2h n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2h s THR 444 N -2.73 3.67 -0.02 2.61 -4.23 -1.26 -1.90 115.64 111.78 3i2h s THR 444 Ca 0.00 1.29 0.06 0.00 -1.18 0.00 0.00 61.69 61.85 3i2h s THR 444 Cb 0.00 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 3i2h s THR 444 CO 0.00 0.02 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.22 3i2h s VAL 445 N -1.64 1.49 0.12 2.29 1.01 -0.39 -4.26 120.40 119.02 3i2h s VAL 445 Ca 0.58 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3i2h s VAL 445 Cb -0.23 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3i2h s VAL 445 CO 0.28 0.42 0.24 -0.94 0.00 0.00 0.00 175.10 175.11 3i2h s SER 446 N -0.40 0.06 0.09 3.32 1.04 -1.21 -0.78 113.70 115.82 3i2h s SER 446 Ca 0.06 -0.68 0.09 0.00 0.48 0.00 0.00 55.95 55.90 3i2h s SER 446 Cb -0.08 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3i2h s SER 446 CO -0.00 -0.80 -0.23 0.00 0.98 0.00 0.00 173.24 173.19 3i2h s ALA 447 N -3.89 2.02 -0.25 5.32 0.00 -0.03 -0.15 121.76 124.78 3i2h s ALA 447 Ca 0.08 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.79 3i2h s ALA 447 Cb 0.04 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.89 3i2h s ALA 447 CO -0.08 0.44 -0.10 1.03 0.00 0.00 0.00 175.76 177.06 3i2h s ARG 448 N -1.73 2.10 0.00 0.00 1.81 0.33 -0.67 118.95 120.79 3i2h s ARG 448 Ca 0.10 -1.23 0.07 0.00 -1.72 0.00 0.00 55.73 52.94 3i2h s ARG 448 Cb -0.10 -2.80 -0.03 0.00 -0.45 0.00 0.00 34.95 31.58 3i2h s ARG 448 CO 0.04 -0.56 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.39 3i2h s LEU 449 N 1.18 2.47 -0.34 2.53 1.43 -0.17 -0.79 118.68 125.00 3i2h s LEU 449 Ca -0.08 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3i2h s LEU 449 Cb -0.19 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3i2h s LEU 449 CO -0.06 0.29 0.31 -0.36 0.23 0.00 0.00 176.35 176.76 3i2h s PHE 450 N -0.79 3.22 0.10 0.29 0.40 -1.26 -0.57 117.98 119.38 3i2h s PHE 450 Ca 0.12 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 3i2h s PHE 450 Cb -0.10 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 3i2h s PHE 450 CO 0.02 -0.38 -0.12 0.14 0.70 0.00 0.00 175.22 175.58 3i2h s VAL 451 N 1.89 1.08 0.10 -0.44 -7.23 0.24 -0.40 120.40 115.64 3i2h s VAL 451 Ca 0.09 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3i2h s VAL 451 Cb -0.17 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 3i2h s VAL 451 CO 0.11 -0.48 0.11 -0.94 -0.31 0.00 0.00 175.10 173.59 3i2h s SER 452 N -2.38 0.25 0.01 4.85 1.04 -0.65 -0.67 113.70 116.15 3i2h s SER 452 Ca 0.06 -0.89 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 3i2h s SER 452 Cb -0.04 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3i2h s SER 452 CO 0.01 -0.72 0.16 -0.55 0.98 0.00 0.00 173.24 173.13 3i2h s SER 453 N -2.93 0.03 0.04 7.02 0.15 -1.26 -0.91 113.70 115.84 3i2h s SER 453 Ca 0.11 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.73 3i2h s SER 453 Cb 0.06 0.24 0.95 0.00 -1.71 0.00 0.00 66.02 65.56 3i2h s SER 453 CO -0.07 -0.44 1.73 -1.54 1.20 0.00 0.00 173.24 174.12 3i2h n SER 454 N 1.16 0.13 -4.86 5.45 3.41 -0.58 -0.28 113.62 118.05 3i2h n SER 454 Ca -0.21 0.52 -0.21 0.00 -0.26 0.00 0.00 58.87 58.70 3i2h n SER 454 Cb 0.57 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3i2h n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2h s ALA 455 N -3.03 3.73 -1.53 7.33 0.00 -1.26 -4.77 121.76 122.21 3i2h s ALA 455 Ca 0.10 -1.45 0.28 0.00 0.00 0.00 0.00 51.96 50.90 3i2h s ALA 455 Cb 0.14 -1.35 1.13 0.00 0.00 0.00 0.00 23.12 23.03 3i2h s ALA 455 CO 0.43 0.18 1.80 1.33 0.00 0.00 0.00 175.76 179.50 3i2h n VAL 456 N -1.28 0.00 -3.59 0.00 0.24 -1.26 -4.22 118.33 108.22 3i2h n VAL 456 Ca -0.06 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.34 62.02 3i2h n VAL 456 Cb 0.58 -0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 3i2h n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i2h s ASP 457 N -2.57 -0.55 0.24 -1.34 2.15 -1.26 -1.19 116.67 112.15 3i2h s ASP 457 Ca 0.25 0.62 -0.19 0.00 0.43 0.00 0.00 52.55 53.67 3i2h s ASP 457 Cb 0.20 0.56 0.07 0.00 -0.30 0.00 0.00 42.92 43.44 3i2h s ASP 457 CO 0.50 -0.54 0.92 1.07 -0.17 0.00 0.00 175.17 176.96 3i2h n THR 458 N 1.17 0.00 -4.32 1.71 5.66 -1.26 -4.06 114.28 113.17 3i2h n THR 458 Ca -0.19 -0.68 -0.26 0.00 -3.05 0.00 0.00 64.05 59.86 3i2h n THR 458 Cb 0.57 0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 70.07 3i2h n THR 458 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3i2h s ASP 459 N -3.24 4.11 -0.01 1.09 1.01 -1.26 -0.59 116.67 117.78 3i2h s ASP 459 Ca 0.20 -0.64 0.05 0.00 0.71 0.00 0.00 52.55 52.86 3i2h s ASP 459 Cb -0.03 -0.64 -0.01 0.00 1.01 0.00 0.00 42.92 43.25 3i2h s ASP 459 CO 0.07 0.10 -0.16 -0.36 0.21 0.00 0.00 175.17 175.04 3i2h s PHE 460 N -1.76 1.40 0.16 4.23 0.08 -0.22 -4.31 117.98 117.56 3i2h s PHE 460 Ca 0.25 -0.27 0.11 0.00 0.12 0.00 0.00 56.93 57.14 3i2h s PHE 460 Cb -0.08 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 3i2h s PHE 460 CO 0.15 -0.03 -0.25 0.95 -0.10 0.00 0.00 175.22 175.94 3i2h s THR 461 N -0.36 2.23 -0.04 0.64 -4.23 0.47 -0.29 115.64 114.07 3i2h s THR 461 Ca 0.06 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3i2h s THR 461 Cb -0.06 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.79 3i2h s THR 461 CO -0.01 -0.04 0.08 0.00 -0.54 0.00 0.00 174.62 174.12 3i2h s ALA 462 N -1.41 -0.14 -0.03 3.99 0.00 -0.79 -2.14 121.76 121.23 3i2h s ALA 462 Ca 0.17 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3i2h s ALA 462 Cb -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3i2h s ALA 462 CO 0.08 -0.09 -0.14 0.21 0.00 0.00 0.00 175.76 175.82 3i2h s LYS 463 N 0.64 1.40 -0.08 0.00 2.20 0.15 -1.15 119.74 122.91 3i2h s LYS 463 Ca -0.05 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 54.94 3i2h s LYS 463 Cb -0.07 -1.26 -0.05 0.00 -1.51 0.00 0.00 37.83 34.94 3i2h s LYS 463 CO -0.03 0.21 0.32 -1.17 -0.36 0.00 0.00 175.35 174.33 3i2h s LEU 464 N 0.04 4.38 -0.00 5.43 2.96 0.34 -0.87 118.68 130.96 3i2h s LEU 464 Ca -0.02 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3i2h s LEU 464 Cb -0.10 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 3i2h s LEU 464 CO 0.01 0.26 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.58 3i2h s VAL 465 N -0.54 0.24 -0.36 1.68 1.01 0.59 -0.34 120.40 122.67 3i2h s VAL 465 Ca 0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3i2h s VAL 465 Cb -0.15 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3i2h s VAL 465 CO 0.09 0.06 0.21 -0.62 0.00 0.00 0.00 175.10 174.84 3i2h s ASP 466 N -0.08 5.78 -0.30 3.32 -1.08 0.12 -1.14 116.67 123.29 3i2h s ASP 466 Ca 0.01 -0.83 -0.22 0.00 -0.52 0.00 0.00 52.55 51.00 3i2h s ASP 466 Cb -0.01 -2.05 -0.01 0.00 -1.46 0.00 0.00 42.92 39.39 3i2h s ASP 466 CO -0.00 -0.34 0.69 -0.69 0.52 0.00 0.00 175.17 175.35 3i2h s VAL 467 N 1.60 4.89 0.51 1.11 1.01 -0.58 -0.78 120.40 128.16 3i2h s VAL 467 Ca 0.03 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 3i2h s VAL 467 Cb -0.18 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3i2h s VAL 467 CO 0.07 -0.15 0.87 -0.36 0.00 0.00 0.00 175.10 175.53 3i2h s PHE 468 N 2.72 3.55 0.33 5.22 0.40 0.69 -1.57 117.98 129.32 3i2h s PHE 468 Ca 0.28 1.08 0.10 0.00 -0.60 0.00 0.00 56.93 57.79 3i2h s PHE 468 Cb -0.15 -2.51 0.89 0.00 0.51 0.00 0.00 43.02 41.76 3i2h s PHE 468 CO 0.11 -0.37 1.76 -1.35 0.70 0.00 0.00 175.22 176.07 3i2h h PRO 469 N 0.39 0.58 0.00 0.24 0.11 -1.88 -1.06 132.00 130.37 3i2h h PRO 469 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i2h h PRO 469 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3i2h h PRO 469 CO 0.62 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.40 3i2h n ASP 470 N -4.79 0.48 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.71 3i2h n ASP 470 Ca 0.25 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.11 3i2h n ASP 470 Cb 0.71 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3i2h n ASP 470 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i2h n GLY 471 N 0.86 2.11 3.62 6.12 0.00 -0.40 -5.08 105.19 112.42 3i2h n GLY 471 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 3i2h n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2h n ARG 472 N -0.45 1.56 -3.73 1.61 1.74 -1.26 -4.68 116.66 111.45 3i2h n ARG 472 Ca 0.00 0.56 -0.36 0.00 -0.77 0.00 0.00 57.85 57.28 3i2h n ARG 472 Cb 0.00 -2.24 -0.10 0.00 -1.02 0.00 0.00 32.46 29.10 3i2h n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2h s ALA 473 N 0.55 3.52 -0.23 7.54 0.00 -1.26 -0.22 121.76 131.65 3i2h s ALA 473 Ca 0.81 -3.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.40 3i2h s ALA 473 Cb -0.83 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3i2h s ALA 473 CO 0.44 -2.06 0.65 0.42 0.00 0.00 0.00 175.76 175.21 3i2h s ILE 474 N 0.10 4.98 0.27 0.00 -1.09 0.04 -0.08 121.20 125.42 3i2h s ILE 474 Ca 0.16 1.19 -0.30 0.00 -2.23 0.00 0.00 60.65 59.47 3i2h s ILE 474 Cb -0.21 -3.95 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 3i2h s ILE 474 CO -0.03 0.05 1.53 0.00 -1.23 0.00 0.00 174.94 175.26 3i2h s ALA 475 N 2.32 3.70 0.00 9.38 0.00 -0.70 -0.70 121.76 135.77 3i2h s ALA 475 Ca 0.28 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.71 3i2h s ALA 475 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3i2h s ALA 475 CO 0.09 -0.88 0.00 1.28 0.00 0.00 0.00 175.76 176.25 3i2h n LEU 476 N 2.30 0.00 -4.98 0.00 4.77 0.54 -4.38 117.00 115.24 3i2h n LEU 476 Ca 0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 3i2h n LEU 476 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i2h n LEU 476 CO 0.62 0.00 0.14 0.00 -1.33 0.00 0.00 177.39 176.82 3i2h s ASP 478 N -4.20 -0.31 0.34 0.00 -4.77 -1.25 -0.51 116.67 105.97 3i2h s ASP 478 Ca 0.47 -0.40 -0.07 0.00 -3.30 0.00 0.00 52.55 49.25 3i2h s ASP 478 Cb -0.10 0.59 0.03 0.00 -1.09 0.00 0.00 42.92 42.36 3i2h s ASP 478 CO 0.33 -1.06 0.57 0.61 0.70 0.00 0.00 175.17 176.32 3i2h n GLY 479 N -0.36 1.68 3.10 2.12 0.00 -0.30 -4.29 105.19 107.14 3i2h n GLY 479 Ca -0.11 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 3i2h n GLY 479 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i2h s ILE 480 N -2.51 0.08 -0.11 -0.61 2.07 -1.26 -1.89 121.20 116.97 3i2h s ILE 480 Ca 0.21 -0.66 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 3i2h s ILE 480 Cb -0.03 -0.42 0.02 0.00 0.13 0.00 0.00 42.46 42.16 3i2h s ILE 480 CO 0.15 -0.36 -0.14 0.54 -1.91 0.00 0.00 174.94 173.23 3i2h s VAL 481 N -1.30 1.38 -0.24 4.00 0.11 0.61 -3.88 120.40 121.08 3i2h s VAL 481 Ca -0.14 -0.57 -0.21 0.00 -2.93 0.00 0.00 61.98 58.13 3i2h s VAL 481 Cb -0.07 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3i2h s VAL 481 CO 0.01 0.42 0.67 -0.60 -3.33 0.00 0.00 175.10 172.27 3i2h s ARG 482 N 1.07 4.15 0.40 1.54 3.52 -0.28 -1.06 118.95 128.28 3i2h s ARG 482 Ca -0.05 0.64 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 3i2h s ARG 482 Cb -0.15 -3.63 0.84 0.00 -1.56 0.00 0.00 34.95 30.45 3i2h s ARG 482 CO -0.02 -0.39 2.02 0.52 -0.81 0.00 0.00 175.30 176.61 3i2h h MET 483 N 7.76 0.59 0.00 5.12 2.86 -1.17 0.11 114.93 130.21 3i2h h MET 483 Ca -0.27 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3i2h h MET 483 Cb 1.12 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 3i2h h MET 483 CO 0.79 0.39 -0.02 0.07 1.06 0.00 0.00 176.91 179.21 3i2h h ARG 484 N 0.61 0.00 -0.47 1.72 0.11 -1.81 -1.30 114.38 113.23 3i2h h ARG 484 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 3i2h h ARG 484 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3i2h h ARG 484 CO -0.06 0.02 0.00 0.66 0.10 0.00 0.00 179.97 180.69 3i2h n TYR 485 N -3.53 1.50 -0.06 4.08 4.01 0.39 -1.84 117.16 121.71 3i2h n TYR 485 Ca -0.03 -0.74 0.10 0.00 -0.16 0.00 0.00 57.90 57.07 3i2h n TYR 485 Cb 0.11 -0.37 0.48 0.00 -0.31 0.00 0.00 39.34 39.25 3i2h n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3i2h h ARG 486 N 3.19 0.43 0.00 -0.72 0.11 -1.16 -3.03 114.38 113.20 3i2h h ARG 486 Ca 0.00 -0.03 -0.36 0.00 0.10 0.00 0.00 59.98 59.69 3i2h h ARG 486 Cb 1.63 -0.10 -0.07 0.00 1.11 0.00 0.00 29.97 32.55 3i2h h ARG 486 CO 0.33 0.28 -2.38 0.39 0.10 0.00 0.00 179.97 178.69 3i2h n GLU 487 N -4.47 0.73 -3.70 0.08 -0.58 -1.26 -4.75 120.64 106.68 3i2h n GLU 487 Ca 0.08 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.75 3i2h n GLU 487 Cb 0.30 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.58 3i2h n GLU 487 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i2h s THR 488 N -2.48 0.00 -0.96 2.62 -1.32 -1.14 -5.02 115.64 107.34 3i2h s THR 488 Ca -0.21 -0.01 0.28 0.00 -1.21 0.00 0.00 61.69 60.54 3i2h s THR 488 Cb 0.07 -0.71 0.21 0.00 -1.51 0.00 0.00 72.50 70.57 3i2h s THR 488 CO 0.69 -0.01 1.84 0.18 -2.21 0.00 0.00 174.62 175.12 3i2h n LEU 489 N 2.75 0.17 -0.12 9.08 4.77 -1.26 -4.26 117.00 128.13 3i2h n LEU 489 Ca -0.14 0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 56.06 3i2h n LEU 489 Cb 0.56 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3i2h n LEU 489 CO 0.10 -0.01 -1.27 0.52 -1.33 0.00 0.00 177.39 175.40 3i2h n VAL 490 N -1.61 1.54 -3.44 4.08 0.31 -1.26 -0.82 118.33 117.12 3i2h n VAL 490 Ca 0.07 -0.47 -0.27 0.00 -0.01 0.00 0.00 64.34 63.67 3i2h n VAL 490 Cb 0.35 -1.68 -0.08 0.00 -0.91 0.00 0.00 33.84 31.52 3i2h n VAL 490 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i2h n ASN 491 N -3.76 2.70 -4.75 4.52 3.02 -1.26 -4.68 115.26 111.06 3i2h n ASN 491 Ca -0.47 -3.20 -0.35 0.00 -0.03 0.00 0.00 54.58 50.52 3i2h n ASN 491 Cb 0.93 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 39.48 3i2h n ASN 491 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2h s PRO 492 N -1.94 2.78 0.05 3.52 0.04 -1.26 -4.83 135.00 133.36 3i2h s PRO 492 Ca 0.36 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.22 3i2h s PRO 492 Cb 0.12 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 3i2h s PRO 492 CO -0.06 -1.35 -0.07 0.95 0.04 0.00 0.00 177.00 176.50 3i2h s THR 493 N -1.71 0.55 0.73 1.26 -4.23 -0.77 -5.03 115.64 106.44 3i2h s THR 493 Ca 0.76 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.90 3i2h s THR 493 Cb -0.30 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 72.74 3i2h s THR 493 CO 0.36 -0.50 1.12 -0.76 -0.54 0.00 0.00 174.62 174.30 3i2h s LEU 494 N -1.90 2.79 0.32 4.79 1.43 -1.26 -4.17 118.68 120.68 3i2h s LEU 494 Ca -0.05 1.03 0.07 0.00 -1.03 0.00 0.00 54.13 54.15 3i2h s LEU 494 Cb -0.07 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 3i2h s LEU 494 CO -0.01 -1.50 0.31 0.27 0.23 0.00 0.00 176.35 175.66 3i2h s ILE 495 N -3.42 3.87 -0.18 -0.59 -4.36 -0.33 -5.01 121.20 111.18 3i2h s ILE 495 Ca 0.59 -1.29 -0.18 0.00 -0.26 0.00 0.00 60.65 59.51 3i2h s ILE 495 Cb -0.11 -3.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 3i2h s ILE 495 CO 0.51 -0.21 0.50 -1.61 0.24 0.00 0.00 174.94 174.37 3i2h s GLU 496 N -4.00 4.23 0.18 0.37 0.41 -1.26 -4.46 118.70 114.17 3i2h s GLU 496 Ca 0.40 0.41 -0.33 0.00 -0.41 0.00 0.00 54.97 55.04 3i2h s GLU 496 Cb -0.07 -3.52 -0.14 0.00 -1.78 0.00 0.00 34.13 28.62 3i2h s GLU 496 CO 0.27 -0.05 1.53 0.00 -0.49 0.00 0.00 175.26 176.52 3i2h n ALA 497 N 4.43 1.28 0.00 5.21 0.00 -1.26 -2.41 120.51 127.76 3i2h n ALA 497 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3i2h n ALA 497 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3i2h n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2h n GLY 498 N 3.05 2.54 3.80 0.00 0.00 0.62 -4.99 105.19 110.20 3i2h n GLY 498 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3i2h n GLY 498 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2h s GLU 499 N -0.41 4.43 -0.09 1.61 0.41 -1.01 -4.84 118.70 118.79 3i2h s GLU 499 Ca 0.00 1.12 -0.22 0.00 -0.41 0.00 0.00 54.97 55.45 3i2h s GLU 499 Cb 0.00 -2.83 -0.03 0.00 -1.78 0.00 0.00 34.13 29.48 3i2h s GLU 499 CO 0.00 0.33 0.66 0.42 -0.49 0.00 0.00 175.26 176.18 3i2h s ILE 500 N -1.58 5.06 -0.02 -1.63 1.01 -1.26 -4.40 121.20 118.39 3i2h s ILE 500 Ca 0.47 1.35 0.07 0.00 0.00 0.00 0.00 60.65 62.54 3i2h s ILE 500 Cb -0.18 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 3i2h s ILE 500 CO 0.22 0.24 -0.23 -0.31 0.00 0.00 0.00 174.94 174.86 3i2h s TYR 501 N 0.96 2.43 -0.31 3.97 2.02 0.15 -4.93 117.35 121.64 3i2h s TYR 501 Ca 0.35 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.51 3i2h s TYR 501 Cb -0.17 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3i2h s TYR 501 CO 0.16 0.05 0.49 -2.00 -1.57 0.00 0.00 175.55 172.68 3i2h s GLU 502 N -0.76 3.82 0.11 -0.62 2.12 -1.26 -0.59 118.70 121.51 3i2h s GLU 502 Ca 0.11 0.02 0.09 0.00 0.36 0.00 0.00 54.97 55.55 3i2h s GLU 502 Cb -0.10 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 3i2h s GLU 502 CO 0.00 -0.50 -0.23 0.14 -0.54 0.00 0.00 175.26 174.13 3i2h s VAL 503 N 2.32 1.93 -0.13 3.70 -7.23 0.27 -4.96 120.40 116.31 3i2h s VAL 503 Ca 0.19 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.67 3i2h s VAL 503 Cb -0.16 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3i2h s VAL 503 CO 0.12 0.02 0.16 0.00 -0.31 0.00 0.00 175.10 175.09 3i2h s ALA 504 N -1.10 3.82 -0.20 1.32 0.00 -1.26 -1.00 121.76 123.35 3i2h s ALA 504 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3i2h s ALA 504 Cb -0.10 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.97 3i2h s ALA 504 CO 0.05 0.50 -0.13 0.42 0.00 0.00 0.00 175.76 176.60 3i2h s ILE 505 N -0.71 2.67 -0.39 0.00 1.01 0.15 -4.78 121.20 119.16 3i2h s ILE 505 Ca 0.14 -0.73 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 3i2h s ILE 505 Cb -0.12 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3i2h s ILE 505 CO 0.03 0.49 1.04 -0.62 0.00 0.00 0.00 174.94 175.88 3i2h s ASP 506 N 1.38 6.74 -0.35 3.58 -1.08 -1.26 -0.85 116.67 124.82 3i2h s ASP 506 Ca 0.05 0.68 0.08 0.00 -0.52 0.00 0.00 52.55 52.84 3i2h s ASP 506 Cb -0.14 -2.52 0.61 0.00 -1.46 0.00 0.00 42.92 39.42 3i2h s ASP 506 CO -0.08 -1.00 1.70 0.23 0.52 0.00 0.00 175.17 176.53 3i2h n MET 507 N 7.17 2.42 0.00 4.34 2.81 0.04 -4.06 117.12 129.84 3i2h n MET 507 Ca 0.10 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 3i2h n MET 507 Cb 0.48 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 3i2h n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i2h n LEU 508 N -0.91 0.00 -3.65 4.03 4.77 -1.22 -3.74 117.00 116.27 3i2h n LEU 508 Ca 0.44 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 3i2h n LEU 508 Cb 1.33 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.38 3i2h n LEU 508 CO 0.39 0.00 0.23 0.00 -1.33 0.00 0.00 177.39 176.68 3i2h s ALA 509 N -1.30 -1.00 0.26 -1.18 0.00 -1.26 -1.26 121.76 116.03 3i2h s ALA 509 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 3i2h s ALA 509 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3i2h s ALA 509 CO 0.00 -0.72 0.57 -0.08 0.00 0.00 0.00 175.76 175.53 3i2h s THR 510 N -3.83 0.00 -0.17 0.00 -1.32 -0.80 -4.71 115.64 104.81 3i2h s THR 510 Ca 0.05 -1.26 -0.05 0.00 -1.21 0.00 0.00 61.69 59.23 3i2h s THR 510 Cb 0.00 -2.13 0.06 0.00 -1.51 0.00 0.00 72.50 68.92 3i2h s THR 510 CO -0.08 0.00 0.08 -0.55 -2.21 0.00 0.00 174.62 171.86 3i2h s SER 511 N -2.98 2.43 -0.12 8.08 0.15 -1.25 -1.28 113.70 118.73 3i2h s SER 511 Ca 0.18 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 3i2h s SER 511 Cb -0.03 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.04 3i2h s SER 511 CO 0.08 -0.35 0.28 0.21 1.20 0.00 0.00 173.24 174.67 3i2h s ASN 512 N 2.10 -0.32 -0.35 5.45 2.47 0.09 -1.35 114.94 123.05 3i2h s ASN 512 Ca 0.02 0.60 -0.17 0.00 0.42 0.00 0.00 52.86 53.73 3i2h s ASN 512 Cb -0.16 0.50 -0.01 0.00 -1.45 0.00 0.00 41.25 40.13 3i2h s ASN 512 CO -0.09 -0.16 0.47 -0.69 -3.72 0.00 0.00 177.10 172.91 3i2h s VAL 513 N 1.13 5.06 -0.47 -5.21 1.01 0.40 -0.50 120.40 121.82 3i2h s VAL 513 Ca -0.08 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3i2h s VAL 513 Cb -0.09 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3i2h s VAL 513 CO -0.08 -0.18 1.20 -0.36 0.00 0.00 0.00 175.10 175.68 3i2h s PHE 514 N 2.29 2.72 0.63 5.22 0.40 0.21 -4.28 117.98 125.16 3i2h s PHE 514 Ca 0.17 0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 57.12 3i2h s PHE 514 Cb -0.16 -4.42 0.00 0.00 0.51 0.00 0.00 43.02 38.96 3i2h s PHE 514 CO 0.13 -1.43 0.98 -0.51 0.70 0.00 0.00 175.22 175.08 3i2h s LEU 515 N 4.68 3.13 0.32 -0.37 1.43 -1.26 -1.25 118.68 125.37 3i2h s LEU 515 Ca 0.51 0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 54.28 3i2h s LEU 515 Cb -0.08 -3.79 -0.13 0.00 0.03 0.00 0.00 46.19 42.22 3i2h s LEU 515 CO 0.32 -1.12 1.21 -2.65 0.23 0.00 0.00 176.35 174.33 3i2h n PRO 516 N -2.74 1.88 0.00 1.29 -0.02 -1.26 -1.43 135.00 132.72 3i2h n PRO 516 Ca 0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3i2h n PRO 516 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3i2h n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2h n GLY 517 N 0.94 1.28 3.97 -1.23 0.00 0.56 -4.98 105.19 105.74 3i2h n GLY 517 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3i2h n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2h s HIS 518 N -2.42 3.01 0.14 1.61 3.76 -0.51 -3.97 115.29 116.90 3i2h s HIS 518 Ca 0.00 -0.01 0.10 0.00 -0.15 0.00 0.00 55.06 55.00 3i2h s HIS 518 Cb 0.00 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 3i2h s HIS 518 CO 0.00 -0.52 -0.24 1.03 -0.85 0.00 0.00 174.74 174.16 3i2h s ARG 519 N -4.56 1.32 -0.13 1.40 0.52 -0.61 -0.90 118.95 115.99 3i2h s ARG 519 Ca 0.52 -1.33 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 3i2h s ARG 519 Cb -0.10 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 3i2h s ARG 519 CO 0.37 0.38 0.62 0.42 0.02 0.00 0.00 175.30 177.11 3i2h s ILE 520 N -1.30 5.07 0.06 1.52 1.01 -1.26 -1.52 121.20 124.77 3i2h s ILE 520 Ca 0.13 1.23 0.06 0.00 0.00 0.00 0.00 60.65 62.07 3i2h s ILE 520 Cb -0.09 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3i2h s ILE 520 CO 0.06 0.21 -0.16 -0.32 0.00 0.00 0.00 174.94 174.73 3i2h s MET 521 N 1.20 1.00 -0.04 2.79 -2.45 -0.29 -1.07 119.30 120.44 3i2h s MET 521 Ca 0.31 -0.88 0.05 0.00 -1.25 0.00 0.00 55.69 53.92 3i2h s MET 521 Cb -0.16 -1.06 -0.01 0.00 1.25 0.00 0.00 34.83 34.85 3i2h s MET 521 CO 0.13 0.26 -0.19 0.54 1.05 0.00 0.00 175.02 176.81 3i2h s VAL 522 N -0.98 1.54 -0.16 10.11 0.11 0.11 -0.30 120.40 130.83 3i2h s VAL 522 Ca 0.02 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.22 3i2h s VAL 522 Cb -0.09 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 3i2h s VAL 522 CO 0.02 0.44 0.04 -1.10 -3.33 0.00 0.00 175.10 171.17 3i2h s GLN 523 N -0.10 3.76 -0.06 1.54 -0.21 -0.05 -1.37 119.66 123.17 3i2h s GLN 523 Ca -0.01 -0.38 0.06 0.00 0.02 0.00 0.00 55.36 55.04 3i2h s GLN 523 Cb -0.11 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 3i2h s GLN 523 CO 0.02 0.35 -0.23 0.08 -2.12 0.00 0.00 175.29 173.38 3i2h s VAL 524 N 0.14 2.21 0.00 1.09 1.01 0.55 -0.67 120.40 124.73 3i2h s VAL 524 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3i2h s VAL 524 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3i2h s VAL 524 CO 0.01 0.57 0.00 -0.24 0.00 0.00 0.00 175.10 175.44 3i2h n SER 525 N 2.85 0.00 -0.10 3.32 2.88 -0.91 -0.84 113.62 120.82 3i2h n SER 525 Ca -0.17 -0.12 0.02 0.00 -1.33 0.00 0.00 58.87 57.26 3i2h n SER 525 Cb 0.52 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 3i2h n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i2h n SER 526 N -0.19 1.06 -3.48 -3.46 7.64 -1.26 -0.39 113.62 113.53 3i2h n SER 526 Ca 0.00 -1.87 -0.12 0.00 1.01 0.00 0.00 58.87 57.89 3i2h n SER 526 Cb 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 3i2h n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2h s SER 527 N -1.01 -0.48 -0.46 6.43 1.04 -1.26 -4.35 113.70 113.61 3i2h s SER 527 Ca 0.06 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.43 3i2h s SER 527 Cb 0.05 0.57 0.20 0.00 0.10 0.00 0.00 66.02 66.93 3i2h s SER 527 CO 0.01 -0.94 0.85 0.21 0.98 0.00 0.00 173.24 174.35 3i2h s ASN 528 N -2.76 -1.06 -0.09 7.02 2.47 -1.24 -4.41 114.94 114.86 3i2h s ASN 528 Ca 0.01 -1.23 0.01 0.00 0.42 0.00 0.00 52.86 52.08 3i2h s ASN 528 Cb -0.00 1.39 -0.02 0.00 -1.45 0.00 0.00 41.25 41.16 3i2h s ASN 528 CO -0.13 -0.04 -0.11 0.12 -3.72 0.00 0.00 177.10 173.22 3i2h s PHE 529 N 0.96 2.81 -0.63 0.43 5.36 -0.30 -0.89 117.98 125.73 3i2h s PHE 529 Ca 0.27 -0.28 0.13 0.00 -0.96 0.00 0.00 56.93 56.10 3i2h s PHE 529 Cb 0.04 -1.74 0.68 0.00 -0.34 0.00 0.00 43.02 41.67 3i2h s PHE 529 CO -0.07 0.08 1.56 -0.35 -1.46 0.00 0.00 175.22 174.98 3i2h n PRO 530 N 2.76 4.05 -0.23 10.12 -0.04 -1.26 -0.57 135.00 149.83 3i2h n PRO 530 Ca -0.18 -2.64 0.04 0.00 -0.04 0.00 0.00 63.50 60.68 3i2h n PRO 530 Cb 0.53 -2.05 0.16 0.00 -0.04 0.00 0.00 33.50 32.09 3i2h n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i2h h LYS 531 N 3.49 0.23 -6.21 0.54 1.63 -1.90 -2.26 116.57 112.10 3i2h h LYS 531 Ca 0.00 -0.01 -0.58 0.00 -0.85 0.00 0.00 60.65 59.20 3i2h h LYS 531 Cb 1.62 -0.05 -0.24 0.00 -0.60 0.00 0.00 32.23 32.96 3i2h h LYS 531 CO 0.35 0.15 -0.84 0.71 -3.45 0.00 0.00 179.45 176.38 3i2h s TYR 532 N -6.07 1.86 0.89 1.91 2.02 -0.06 -3.63 117.35 114.26 3i2h s TYR 532 Ca -0.13 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 3i2h s TYR 532 Cb 0.20 -1.06 0.12 0.00 -0.40 0.00 0.00 41.96 40.83 3i2h s TYR 532 CO 0.75 0.16 1.10 0.16 -1.57 0.00 0.00 175.55 176.15 3i2h s ASP 533 N -1.59 3.44 0.13 2.29 -4.77 -0.05 -4.09 116.67 112.02 3i2h s ASP 533 Ca 0.08 1.75 -0.25 0.00 -3.30 0.00 0.00 52.55 50.83 3i2h s ASP 533 Cb -0.09 -2.38 -0.07 0.00 -1.09 0.00 0.00 42.92 39.28 3i2h s ASP 533 CO 0.03 -2.70 0.77 -0.13 0.70 0.00 0.00 175.17 173.84 3i2h s ARG 534 N -4.82 4.54 0.16 2.11 0.52 -1.26 -4.82 118.95 115.38 3i2h s ARG 534 Ca 0.64 1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 56.67 3i2h s ARG 534 Cb -0.19 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 3i2h s ARG 534 CO 0.58 0.49 1.08 1.21 0.02 0.00 0.00 175.30 178.68 3i2h s ASN 535 N -0.83 7.30 0.03 0.23 3.84 -1.26 -4.94 114.94 119.31 3i2h s ASN 535 Ca 0.36 2.04 0.28 0.00 0.21 0.00 0.00 52.86 55.76 3i2h s ASN 535 Cb -0.22 -2.60 1.16 0.00 -0.55 0.00 0.00 41.25 39.03 3i2h s ASN 535 CO 0.25 -0.20 1.90 -1.54 -2.79 0.00 0.00 177.10 174.72 3i2h n SER 536 N 2.48 0.14 -2.39 -4.21 3.41 -1.26 -4.68 113.62 107.10 3i2h n SER 536 Ca 0.03 0.50 -0.21 0.00 -0.26 0.00 0.00 58.87 58.93 3i2h n SER 536 Cb 0.47 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3i2h n SER 536 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i2h n ASN 537 N -1.62 -5.91 -0.00 4.04 3.02 -1.26 -1.10 115.26 112.43 3i2h n ASN 537 Ca 0.07 -0.03 0.01 0.00 -0.03 0.00 0.00 54.58 54.60 3i2h n ASN 537 Cb 0.35 -4.91 -0.02 0.00 -0.61 0.00 0.00 39.78 34.59 3i2h n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i2h n THR 538 N -4.04 0.04 -0.74 3.41 -2.24 -1.26 -4.51 114.28 104.95 3i2h n THR 538 Ca -0.24 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3i2h n THR 538 Cb 0.69 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3i2h n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2h n GLY 539 N 2.47 0.79 1.29 3.38 0.00 -1.26 -4.79 105.19 107.07 3i2h n GLY 539 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3i2h n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2h n GLY 540 N -2.24 -0.53 3.55 -0.02 0.00 -1.26 -4.97 105.19 99.73 3i2h n GLY 540 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3i2h n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2h s VAL 541 N -1.57 3.74 0.21 1.61 1.01 -1.26 -4.90 120.40 119.25 3i2h s VAL 541 Ca 0.24 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 3i2h s VAL 541 Cb -0.01 -4.92 0.16 0.00 0.00 0.00 0.00 36.38 31.61 3i2h s VAL 541 CO 0.17 -1.86 1.73 0.40 0.00 0.00 0.00 175.10 175.54 3i2h h ILE 542 N 6.16 0.70 0.00 2.22 2.04 -1.96 -1.06 117.51 125.61 3i2h h ILE 542 Ca -0.21 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3i2h h ILE 542 Cb 1.05 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3i2h h ILE 542 CO 1.30 0.07 0.00 0.00 0.00 0.00 0.00 178.15 179.52 3i2h n ALA 543 N -2.52 1.88 0.78 1.87 0.00 -1.26 -2.28 120.51 118.97 3i2h n ALA 543 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3i2h n ALA 543 Cb 0.31 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.51 3i2h n ALA 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i2h n ARG 544 N -1.41 1.58 -3.16 0.00 5.12 -0.41 -1.10 116.66 117.28 3i2h n ARG 544 Ca 0.06 -1.23 -0.39 0.00 -1.93 0.00 0.00 57.85 54.36 3i2h n ARG 544 Cb 0.18 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 30.09 3i2h n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3i2h s GLU 545 N -1.79 4.34 0.50 5.56 2.02 -0.97 -4.74 118.70 123.62 3i2h s GLU 545 Ca 0.18 0.84 -0.21 0.00 0.02 0.00 0.00 54.97 55.80 3i2h s GLU 545 Cb 0.15 -3.31 -0.07 0.00 0.10 0.00 0.00 34.13 31.00 3i2h s GLU 545 CO 0.34 0.46 1.12 -0.65 0.02 0.00 0.00 175.26 176.54 3i2h s GLN 546 N -0.55 3.62 0.28 1.61 -1.52 -1.26 -3.99 119.66 117.85 3i2h s GLN 546 Ca 0.32 1.60 0.02 0.00 -1.95 0.00 0.00 55.36 55.36 3i2h s GLN 546 Cb -0.20 -2.18 0.62 0.00 -0.22 0.00 0.00 33.01 31.04 3i2h s GLN 546 CO 0.20 -0.62 1.78 1.25 -0.25 0.00 0.00 175.29 177.64 3i2h h LEU 547 N 1.62 0.71 -1.94 2.90 5.85 -1.96 -0.37 115.31 122.13 3i2h h LEU 547 Ca -0.50 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3i2h h LEU 547 Cb 1.25 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3i2h h LEU 547 CO 0.59 0.30 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.79 3i2h h GLU 548 N 0.75 0.00 0.00 1.25 4.57 -1.99 -1.78 114.58 117.38 3i2h h GLU 548 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 3i2h h GLU 548 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3i2h h GLU 548 CO -0.35 0.12 0.00 0.93 -1.18 0.00 0.00 179.01 178.52 3i2h h GLU 549 N 0.00 0.00 -7.37 1.92 5.08 -1.44 -3.46 114.58 109.31 3i2h h GLU 549 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3i2h h GLU 549 Cb 0.29 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.64 3i2h h GLU 549 CO 0.01 0.00 0.35 -1.64 -1.00 0.00 0.00 179.01 176.73 3i2h s MET 550 N -3.38 2.44 0.18 2.33 -1.94 -0.67 -4.98 119.30 113.28 3i2h s MET 550 Ca 0.05 0.80 0.11 0.00 -1.71 0.00 0.00 55.69 54.94 3i2h s MET 550 Cb 0.07 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.92 3i2h s MET 550 CO 0.62 -1.41 -0.24 0.00 -0.01 0.00 0.00 175.02 173.98 3i2h s THR 552 N -1.62 4.37 -0.02 0.00 -4.23 -1.26 -4.45 115.64 108.43 3i2h s THR 552 Ca 0.19 0.86 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 3i2h s THR 552 Cb -0.08 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.12 3i2h s THR 552 CO 0.09 -0.91 -0.09 0.00 -0.54 0.00 0.00 174.62 173.17 3i2h s ALA 553 N -2.96 0.80 -0.44 3.99 0.00 -0.09 -4.89 121.76 118.17 3i2h s ALA 553 Ca 0.58 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 3i2h s ALA 553 Cb -0.12 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.75 3i2h s ALA 553 CO 0.49 0.14 0.62 0.08 0.00 0.00 0.00 175.76 177.09 3i2h s VAL 554 N 0.09 4.86 0.04 0.00 1.01 -1.26 -0.28 120.40 124.86 3i2h s VAL 554 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3i2h s VAL 554 Cb -0.07 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3i2h s VAL 554 CO 0.00 -0.60 -0.02 0.20 0.00 0.00 0.00 175.10 174.68 3i2h s ASN 555 N 2.03 4.93 -0.01 3.32 0.02 -0.07 -1.53 114.94 123.62 3i2h s ASN 555 Ca 0.21 -0.13 0.02 0.00 -1.02 0.00 0.00 52.86 51.94 3i2h s ASN 555 Cb -0.15 -1.19 0.00 0.00 0.02 0.00 0.00 41.25 39.93 3i2h s ASN 555 CO 0.18 0.23 -0.07 -0.13 0.02 0.00 0.00 177.10 177.33 3i2h s ARG 556 N -1.89 0.67 -0.21 -0.60 0.52 -0.09 -1.35 118.95 116.01 3i2h s ARG 556 Ca 0.22 -0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 55.14 3i2h s ARG 556 Cb -0.11 -0.65 -0.02 0.00 0.52 0.00 0.00 34.95 34.68 3i2h s ARG 556 CO 0.13 0.11 0.00 0.42 0.02 0.00 0.00 175.30 175.98 3i2h s ILE 557 N 0.06 3.90 -0.13 1.52 -1.09 0.21 -1.63 121.20 124.05 3i2h s ILE 557 Ca -0.01 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.00 3i2h s ILE 557 Cb -0.06 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 3i2h s ILE 557 CO -0.00 0.41 0.19 -1.00 -1.23 0.00 0.00 174.94 173.31 3i2h s HIS 558 N 1.18 3.56 -0.12 3.97 3.76 0.47 -0.90 115.29 127.22 3i2h s HIS 558 Ca 0.03 0.55 -0.08 0.00 -0.15 0.00 0.00 55.06 55.42 3i2h s HIS 558 Cb -0.14 -2.07 0.04 0.00 1.11 0.00 0.00 32.58 31.52 3i2h s HIS 558 CO 0.01 0.59 0.30 -0.98 -0.85 0.00 0.00 174.74 173.80 3i2h s ARG 559 N -0.60 0.29 0.00 1.40 1.70 -0.44 -4.21 118.95 117.10 3i2h s ARG 559 Ca 0.15 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.94 3i2h s ARG 559 Cb -0.12 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 3i2h s ARG 559 CO 0.04 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 3i2h n GLY 560 N 3.73 -0.77 0.27 3.88 0.00 -0.89 -0.48 105.19 110.93 3i2h n GLY 560 Ca -0.20 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 3i2h n GLY 560 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2h h PRO 561 N 0.87 0.58 0.00 1.61 0.14 -1.78 -2.46 132.00 130.96 3i2h h PRO 561 Ca 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 66.00 66.00 3i2h h PRO 561 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 31.00 31.06 3i2h h PRO 561 CO 0.00 0.62 -0.84 0.93 0.14 0.00 0.00 178.00 178.86 3i2h h GLU 562 N 0.55 0.00 -2.08 0.86 4.39 -1.93 -3.39 114.58 112.98 3i2h h GLU 562 Ca 0.11 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.24 3i2h h GLU 562 Cb 0.39 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.64 3i2h h GLU 562 CO 0.02 0.00 -0.89 0.72 -1.16 0.00 0.00 179.01 177.70 3i2h n HIS 563 N -2.39 1.38 -1.43 4.33 8.25 -1.10 -5.03 115.22 119.22 3i2h n HIS 563 Ca 0.02 -3.82 -0.39 0.00 -0.26 0.00 0.00 57.72 53.26 3i2h n HIS 563 Cb 0.49 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3i2h n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i2h n PRO 564 N 1.16 2.82 -1.65 -0.41 -0.04 -0.94 -2.09 135.00 133.84 3i2h n PRO 564 Ca 0.25 -2.27 -0.45 0.00 -0.04 0.00 0.00 63.50 60.99 3i2h n PRO 564 Cb 0.48 -3.02 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 3i2h n PRO 564 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i2h n SER 565 N 5.41 2.40 -3.60 3.54 7.64 -1.26 -4.91 113.62 122.84 3i2h n SER 565 Ca 0.59 1.16 -0.10 0.00 1.01 0.00 0.00 58.87 61.52 3i2h n SER 565 Cb 0.32 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 3i2h n SER 565 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3i2h s HIS 566 N -0.36 -0.32 -0.11 1.43 -3.43 0.03 -1.53 115.29 111.00 3i2h s HIS 566 Ca 0.66 0.03 -0.06 0.00 -0.80 0.00 0.00 55.06 54.88 3i2h s HIS 566 Cb -0.67 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 3i2h s HIS 566 CO 0.53 -0.89 0.12 -1.50 -2.00 0.00 0.00 174.74 171.01 3i2h s ILE 567 N -3.81 5.35 -0.40 -5.38 2.07 -0.25 -0.52 121.20 118.26 3i2h s ILE 567 Ca 0.05 0.14 -0.16 0.00 -1.41 0.00 0.00 60.65 59.26 3i2h s ILE 567 Cb -0.01 -3.32 0.01 0.00 0.13 0.00 0.00 42.46 39.27 3i2h s ILE 567 CO -0.08 0.61 0.38 -0.69 -1.91 0.00 0.00 174.94 173.26 3i2h s VAL 568 N -1.02 5.15 -0.20 4.00 1.01 0.78 -0.02 120.40 130.10 3i2h s VAL 568 Ca 0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3i2h s VAL 568 Cb -0.12 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3i2h s VAL 568 CO 0.04 -0.32 0.14 -0.76 0.00 0.00 0.00 175.10 174.20 3i2h s LEU 569 N 1.99 4.21 -1.02 3.92 1.43 -0.17 -3.35 118.68 125.70 3i2h s LEU 569 Ca 0.10 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 3i2h s LEU 569 Cb -0.17 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.95 3i2h s LEU 569 CO 0.12 0.17 1.67 -2.16 0.23 0.00 0.00 176.35 176.39 3i2h s PRO 570 N 0.40 3.23 0.02 1.29 0.04 -1.26 -0.78 135.00 137.94 3i2h s PRO 570 Ca 0.08 -0.94 -0.30 0.00 0.04 0.00 0.00 61.00 59.88 3i2h s PRO 570 Cb -0.11 -5.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.12 3i2h s PRO 570 CO -0.01 -2.71 0.98 0.42 0.04 0.00 0.00 177.00 175.72 3i2h s ILE 571 N 6.94 4.77 -0.14 0.56 -1.09 -0.13 -1.17 121.20 130.94 3i2h s ILE 571 Ca 0.56 2.05 0.01 0.00 -2.23 0.00 0.00 60.65 61.03 3i2h s ILE 571 Cb -0.02 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3i2h s ILE 571 CO -0.04 0.19 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.07 3i2h s ILE 572 N 0.81 2.61 -0.16 2.92 -1.09 -0.33 -1.15 121.20 124.81 3i2h s ILE 572 Ca 0.51 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 3i2h s ILE 572 Cb -0.22 -2.08 -0.00 0.00 -1.58 0.00 0.00 42.46 38.58 3i2h s ILE 572 CO 0.28 0.53 -0.14 -0.75 -1.23 0.00 0.00 174.94 173.63 3i2h s LYS 573 N 0.64 3.23 0.12 2.79 2.47 -1.26 -3.96 119.74 123.77 3i2h s LYS 573 Ca -0.09 -0.73 0.03 0.00 -1.56 0.00 0.00 55.97 53.61 3i2h s LYS 573 Cb -0.16 -2.67 -0.04 0.00 -1.46 0.00 0.00 37.83 33.49 3i2h s LYS 573 CO 0.02 -0.02 -0.07 1.03 0.16 0.00 0.00 175.35 176.47 3i2h s ARG 574 N 0.92 0.92 0.00 4.03 0.52 -1.26 -5.13 118.95 118.95 3i2h s ARG 574 Ca -0.03 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 3i2h s ARG 574 Cb -0.15 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 34.98 3i2h s ARG 574 CO -0.01 0.01 0.00 1.63 0.02 0.00 0.00 175.30 176.94