#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2c s VAL 2 N 0.00 2.25 -0.00 3.84 1.01 -1.26 -4.36 120.40 121.87 3i2c s VAL 2 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3i2c s VAL 2 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3i2c s VAL 2 CO 0.00 0.02 -0.02 -1.10 0.00 0.00 0.00 175.10 174.00 3i2c s GLN 3 N 0.55 0.20 -0.20 2.72 -1.52 0.09 -5.00 119.66 116.49 3i2c s GLN 3 Ca 0.69 -0.09 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 3i2c s GLN 3 Cb -0.47 -0.19 0.05 0.00 -0.22 0.00 0.00 33.01 32.18 3i2c s GLN 3 CO 0.37 0.05 -0.07 -0.51 -0.25 0.00 0.00 175.29 174.88 3i2c s LEU 4 N -0.07 2.19 -0.27 2.90 2.01 -1.26 -2.43 118.68 121.75 3i2c s LEU 4 Ca 0.01 -0.93 -0.07 0.00 0.01 0.00 0.00 54.13 53.15 3i2c s LEU 4 Cb -0.01 -1.12 -0.01 0.00 0.01 0.00 0.00 46.19 45.06 3i2c s LEU 4 CO -0.00 -0.19 0.06 -0.69 1.01 0.00 0.00 176.35 176.54 3i2c s VAL 5 N 1.46 4.03 0.09 -1.59 1.01 0.87 -3.87 120.40 122.41 3i2c s VAL 5 Ca -0.02 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3i2c s VAL 5 Cb -0.17 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 3i2c s VAL 5 CO -0.07 0.21 0.42 -1.58 0.00 0.00 0.00 175.10 174.08 3i2c s GLN 6 N 1.54 3.78 0.10 2.72 0.74 -1.26 0.25 119.66 127.53 3i2c s GLN 6 Ca 0.04 0.20 -0.19 0.00 0.05 0.00 0.00 55.36 55.47 3i2c s GLN 6 Cb -0.16 -2.97 0.05 0.00 1.10 0.00 0.00 33.01 31.02 3i2c s GLN 6 CO 0.02 0.54 0.47 -1.54 -0.55 0.00 0.00 175.29 174.23 3i2c s SER 7 N -1.80 -0.35 0.00 6.67 1.04 -0.48 -4.93 113.70 113.85 3i2c s SER 7 Ca 0.34 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3i2c s SER 7 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3i2c s SER 7 CO 0.19 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3i2c n GLY 8 N 0.02 1.83 3.76 7.32 0.00 -1.26 -0.04 105.19 116.82 3i2c n GLY 8 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3i2c n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2c s GLY 9 N -1.46 2.85 0.00 -0.02 0.00 -1.26 -4.83 107.32 102.60 3i2c s GLY 9 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 3i2c s GLY 9 CO 0.00 1.69 0.00 0.61 0.00 0.00 0.00 173.10 175.40 3i2c n GLY 10 N 0.61 -1.54 3.73 0.20 0.00 -0.56 -4.83 105.19 102.80 3i2c n GLY 10 Ca 0.08 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3i2c n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i2c s LEU 11 N 0.00 4.39 0.02 0.99 0.20 -1.26 -2.35 118.68 120.67 3i2c s LEU 11 Ca 0.00 2.54 0.02 0.00 0.69 0.00 0.00 54.13 57.38 3i2c s LEU 11 Cb 0.00 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.14 3i2c s LEU 11 CO 0.00 -0.68 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.62 3i2c s VAL 12 N 0.46 0.53 0.38 1.68 1.01 0.44 -4.95 120.40 119.95 3i2c s VAL 12 Ca 0.62 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 3i2c s VAL 12 Cb -0.40 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 3i2c s VAL 12 CO 0.37 -0.15 1.10 -1.10 0.00 0.00 0.00 175.10 175.32 3i2c s GLN 13 N -0.95 4.20 0.42 2.72 -0.21 -1.26 -1.97 119.66 122.61 3i2c s GLN 13 Ca -0.04 1.67 -0.24 0.00 0.02 0.00 0.00 55.36 56.76 3i2c s GLN 13 Cb -0.07 -2.69 -0.10 0.00 1.00 0.00 0.00 33.01 31.15 3i2c s GLN 13 CO 0.00 -0.14 1.02 -2.30 -2.12 0.00 0.00 175.29 171.75 3i2c n PRO 14 N 0.19 1.37 -0.08 2.91 -0.02 -1.26 -0.77 135.00 137.34 3i2c n PRO 14 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3i2c n PRO 14 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3i2c n PRO 14 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i2c n LYS 15 N 0.13 0.00 -0.69 -0.52 5.02 0.63 -4.91 118.16 117.82 3i2c n LYS 15 Ca 0.09 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 3i2c n LYS 15 Cb 0.39 -1.91 0.16 0.00 -0.02 0.00 0.00 35.03 33.65 3i2c n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2c n GLY 16 N -2.00 -2.59 3.21 0.72 0.00 0.05 -3.90 105.19 100.68 3i2c n GLY 16 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3i2c n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2c s SER 17 N -3.41 1.11 -0.20 1.61 1.04 -1.26 -1.12 113.70 111.47 3i2c s SER 17 Ca 0.45 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 3i2c s SER 17 Cb -0.04 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.27 3i2c s SER 17 CO 0.34 -0.56 0.60 -0.22 0.98 0.00 0.00 173.24 174.38 3i2c s LEU 18 N -3.13 -0.29 -0.17 2.42 2.96 -0.99 -5.02 118.68 114.46 3i2c s LEU 18 Ca 0.21 1.14 -0.03 0.00 -0.22 0.00 0.00 54.13 55.22 3i2c s LEU 18 Cb 0.06 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.81 3i2c s LEU 18 CO 0.02 -0.25 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.00 3i2c s LYS 19 N 0.14 3.56 0.01 1.98 2.20 -1.26 -0.81 119.74 125.56 3i2c s LYS 19 Ca -0.01 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 3i2c s LYS 19 Cb -0.04 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 3i2c s LYS 19 CO 0.02 0.11 0.14 -0.51 -0.36 0.00 0.00 175.35 174.75 3i2c s LEU 20 N 0.68 4.16 0.19 5.43 1.43 -0.61 -4.68 118.68 125.28 3i2c s LEU 20 Ca -0.03 0.24 0.11 0.00 -1.03 0.00 0.00 54.13 53.43 3i2c s LEU 20 Cb -0.15 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3i2c s LEU 20 CO 0.02 0.25 -0.23 -0.44 0.23 0.00 0.00 176.35 176.19 3i2c s SER 21 N -1.96 3.51 -0.23 2.29 0.01 0.94 -1.66 113.70 116.61 3i2c s SER 21 Ca 0.27 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 3i2c s SER 21 Cb -0.12 -0.30 0.08 0.00 0.21 0.00 0.00 66.02 65.88 3i2c s SER 21 CO 0.18 0.13 0.10 0.00 0.41 0.00 0.00 173.24 174.05 3i2c s ALA 23 N 2.03 3.62 0.08 0.00 0.00 0.14 -1.49 121.76 126.15 3i2c s ALA 23 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3i2c s ALA 23 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3i2c s ALA 23 CO -0.20 -0.90 0.01 0.00 0.00 0.00 0.00 175.76 174.67 3i2c s ALA 24 N 2.78 3.32 -0.12 0.00 0.00 -0.11 -0.09 121.76 127.54 3i2c s ALA 24 Ca 0.39 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 3i2c s ALA 24 Cb -0.16 -1.23 0.10 0.00 0.00 0.00 0.00 23.12 21.84 3i2c s ALA 24 CO 0.08 0.70 0.86 -1.54 0.00 0.00 0.00 175.76 175.87 3i2c s SER 25 N -2.23 -0.50 0.00 0.00 1.04 -1.02 -4.78 113.70 106.21 3i2c s SER 25 Ca 0.25 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.26 3i2c s SER 25 Cb -0.12 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3i2c s SER 25 CO 0.18 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3i2c n GLY 26 N 0.92 0.38 3.40 7.32 0.00 -1.26 -0.73 105.19 115.22 3i2c n GLY 26 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3i2c n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i2c s PHE 27 N -2.00 0.43 -0.92 1.61 -0.71 -1.26 -4.46 117.98 110.66 3i2c s PHE 27 Ca 0.00 -0.77 -0.24 0.00 -1.04 0.00 0.00 56.93 54.87 3i2c s PHE 27 Cb 0.00 -0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.82 3i2c s PHE 27 CO 0.00 -0.79 1.54 1.21 -1.34 0.00 0.00 175.22 175.84 3i2c s ASN 28 N -2.99 6.10 0.22 1.98 2.47 -1.26 -4.85 114.94 116.60 3i2c s ASN 28 Ca 0.20 -1.01 -0.08 0.00 0.42 0.00 0.00 52.86 52.39 3i2c s ASN 28 Cb 0.02 -2.56 0.33 0.00 -1.45 0.00 0.00 41.25 37.60 3i2c s ASN 28 CO 0.03 -1.87 1.74 0.15 -3.72 0.00 0.00 177.10 173.44 3i2c h PHE 29 N 10.45 0.45 0.00 0.43 3.57 -1.97 -2.79 116.94 127.09 3i2c h PHE 29 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3i2c h PHE 29 Cb 1.03 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3i2c h PHE 29 CO 1.23 0.10 0.00 0.27 -2.23 0.00 0.00 178.31 177.68 3i2c n ASN 30 N -4.98 0.00 -0.07 0.41 6.94 -1.26 -2.48 115.26 113.82 3i2c n ASN 30 Ca 0.11 -0.39 -0.04 0.00 -0.02 0.00 0.00 54.58 54.24 3i2c n ASN 30 Cb 0.31 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.59 3i2c n ASN 30 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3i2c n THR 31 N -0.87 0.90 -3.68 5.53 -2.24 -1.05 -3.97 114.28 108.90 3i2c n THR 31 Ca 0.05 -0.66 -0.37 0.00 -2.27 0.00 0.00 64.05 60.80 3i2c n THR 31 Cb 0.02 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 3i2c n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3i2c s TYR 32 N -2.64 3.66 0.46 4.78 1.51 -1.03 -4.72 117.35 119.37 3i2c s TYR 32 Ca -0.08 0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 56.51 3i2c s TYR 32 Cb 0.07 -2.12 -0.07 0.00 -0.11 0.00 0.00 41.96 39.72 3i2c s TYR 32 CO 0.73 0.69 1.21 0.00 -1.11 0.00 0.00 175.55 177.07 3i2c s ALA 33 N -1.03 3.00 0.20 3.71 0.00 -1.26 -4.48 121.76 121.90 3i2c s ALA 33 Ca 0.19 1.04 0.11 0.00 0.00 0.00 0.00 51.96 53.30 3i2c s ALA 33 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3i2c s ALA 33 CO 0.09 -0.78 -0.23 -1.64 0.00 0.00 0.00 175.76 173.20 3i2c s MET 34 N -2.63 1.51 0.05 0.00 1.00 0.93 -1.43 119.30 118.72 3i2c s MET 34 Ca 0.63 -1.54 0.02 0.00 0.00 0.00 0.00 55.69 54.80 3i2c s MET 34 Cb -0.32 -1.76 -0.03 0.00 0.00 0.00 0.00 34.83 32.72 3i2c s MET 34 CO 0.39 0.37 -0.07 -1.01 0.00 0.00 0.00 175.02 174.70 3i2c s HIS 35 N -1.84 0.64 0.05 -0.03 3.76 -0.73 -0.72 115.29 116.43 3i2c s HIS 35 Ca 0.21 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3i2c s HIS 35 Cb -0.07 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 3i2c s HIS 35 CO 0.10 -0.12 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.12 3i2c s TRP 36 N -1.85 2.60 0.03 1.40 0.52 -0.69 -1.19 118.94 119.76 3i2c s TRP 36 Ca -0.07 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 55.84 3i2c s TRP 36 Cb -0.07 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.78 3i2c s TRP 36 CO -0.01 0.30 -0.05 0.08 0.02 0.00 0.00 176.95 177.28 3i2c s VAL 37 N -0.99 0.35 0.32 4.03 1.01 0.35 -1.28 120.40 124.19 3i2c s VAL 37 Ca 0.16 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.37 3i2c s VAL 37 Cb -0.11 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 3i2c s VAL 37 CO 0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 175.10 174.70 3i2c s ARG 38 N -1.29 1.74 -0.29 2.72 1.70 0.15 -0.10 118.95 123.59 3i2c s ARG 38 Ca -0.10 -1.87 0.01 0.00 -0.47 0.00 0.00 55.73 53.30 3i2c s ARG 38 Cb -0.09 -1.66 0.18 0.00 -0.57 0.00 0.00 34.95 32.82 3i2c s ARG 38 CO -0.00 0.19 0.55 -1.14 -1.08 0.00 0.00 175.30 173.81 3i2c s GLN 39 N -3.59 0.52 0.61 3.89 0.74 -0.29 -0.82 119.66 120.71 3i2c s GLN 39 Ca 0.31 0.75 -0.17 0.00 0.05 0.00 0.00 55.36 56.30 3i2c s GLN 39 Cb 0.00 0.25 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 3i2c s GLN 39 CO 0.15 -0.77 1.15 0.00 -0.55 0.00 0.00 175.29 175.28 3i2c s ALA 40 N 2.78 2.52 -0.16 1.58 0.00 -1.26 -0.83 121.76 126.39 3i2c s ALA 40 Ca 0.16 0.80 -0.38 0.00 0.00 0.00 0.00 51.96 52.54 3i2c s ALA 40 Cb -0.14 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 3i2c s ALA 40 CO -0.22 -1.15 1.73 -2.30 0.00 0.00 0.00 175.76 173.82 3i2c n PRO 41 N -1.86 1.48 -2.37 0.00 -0.02 -1.26 -1.38 135.00 129.59 3i2c n PRO 41 Ca 0.12 0.54 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3i2c n PRO 41 Cb 0.51 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3i2c n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2c n GLY 42 N 4.02 -0.07 0.00 -1.23 0.00 -1.26 -5.02 105.19 101.63 3i2c n GLY 42 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i2c n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i2c n LYS 43 N -2.26 0.69 -2.33 1.61 5.02 -0.48 -5.17 118.16 115.23 3i2c n LYS 43 Ca -0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.94 3i2c n LYS 43 Cb 0.59 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.73 3i2c n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2c n GLY 44 N 1.58 0.19 3.77 0.72 0.00 -1.26 -4.78 105.19 105.41 3i2c n GLY 44 Ca 0.00 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 3i2c n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2c s LEU 45 N 0.00 4.36 -0.02 0.99 1.43 -1.26 -4.25 118.68 119.93 3i2c s LEU 45 Ca 0.65 0.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 3i2c s LEU 45 Cb -0.03 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 3i2c s LEU 45 CO 0.44 0.15 -0.17 -1.61 0.23 0.00 0.00 176.35 175.39 3i2c s GLU 46 N -0.14 1.46 0.25 1.70 2.02 -0.00 -4.99 118.70 119.00 3i2c s GLU 46 Ca 0.24 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 3i2c s GLU 46 Cb -0.16 -1.37 -0.09 0.00 0.10 0.00 0.00 34.13 32.61 3i2c s GLU 46 CO 0.11 0.33 1.04 -0.46 0.02 0.00 0.00 175.26 176.30 3i2c s TRP 47 N -0.28 3.74 -0.20 1.61 -0.00 -1.26 -0.67 118.94 121.88 3i2c s TRP 47 Ca 0.04 1.77 -0.13 0.00 -0.00 0.00 0.00 56.10 57.78 3i2c s TRP 47 Cb -0.08 -3.16 -0.08 0.00 -0.00 0.00 0.00 33.47 30.15 3i2c s TRP 47 CO 0.00 -0.16 -0.30 -0.89 -0.00 0.00 0.00 176.95 175.60 3i2c n ILE 48 N 1.50 1.37 0.00 5.86 5.41 -0.40 -4.58 119.36 128.52 3i2c n ILE 48 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3i2c n ILE 48 Cb 0.46 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3i2c n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i2c n GLY 49 N 1.61 0.77 3.23 7.39 0.00 -1.20 -0.65 105.19 116.34 3i2c n GLY 49 Ca -0.32 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 3i2c n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i2c s ARG 50 N -2.00 1.29 -0.12 1.61 3.52 0.80 -1.70 118.95 122.36 3i2c s ARG 50 Ca 0.00 -0.90 0.03 0.00 -0.13 0.00 0.00 55.73 54.73 3i2c s ARG 50 Cb 0.00 -1.38 -0.00 0.00 -1.56 0.00 0.00 34.95 32.01 3i2c s ARG 50 CO 0.00 0.35 -0.21 -1.50 -0.81 0.00 0.00 175.30 173.13 3i2c s ILE 51 N -0.80 2.30 0.19 4.11 2.07 0.10 -1.21 121.20 127.96 3i2c s ILE 51 Ca 0.06 -0.92 -0.01 0.00 -1.41 0.00 0.00 60.65 58.37 3i2c s ILE 51 Cb -0.09 -1.91 0.04 0.00 0.13 0.00 0.00 42.46 40.63 3i2c s ILE 51 CO 0.02 0.55 0.26 0.54 -1.91 0.00 0.00 174.94 174.40 3i2c n ARG 52 N 3.67 0.25 -1.80 3.50 1.74 0.28 -0.05 116.66 124.24 3i2c n ARG 52 Ca -0.19 -0.62 -0.30 0.00 -0.77 0.00 0.00 57.85 55.97 3i2c n ARG 52 Cb 0.53 -0.20 0.06 0.00 -1.02 0.00 0.00 32.46 31.83 3i2c n ARG 52 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i2c s SER 53 N -2.03 5.06 0.29 0.55 0.15 -1.26 -4.38 113.70 112.08 3i2c s SER 53 Ca 0.17 1.12 0.04 0.00 0.70 0.00 0.00 55.95 57.98 3i2c s SER 53 Cb -0.01 -1.86 0.75 0.00 -1.71 0.00 0.00 66.02 63.18 3i2c s SER 53 CO 0.11 -1.59 1.69 0.50 1.20 0.00 0.00 173.24 175.15 3i2c h LYS 54 N -0.83 0.36 0.00 5.44 3.64 -1.91 0.03 116.57 123.29 3i2c h LYS 54 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3i2c h LYS 54 Cb 1.27 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3i2c h LYS 54 CO 0.63 0.24 0.00 0.66 -2.27 0.00 0.00 179.45 178.71 3i2c h SER 55 N 0.37 0.00 -0.47 4.20 4.64 -1.93 -2.21 113.55 118.16 3i2c h SER 55 Ca 0.57 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.60 3i2c h SER 55 Cb 1.10 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.02 3i2c h SER 55 CO -0.55 0.00 -0.14 1.41 -0.87 0.00 0.00 176.83 176.68 3i2c n HIS 56 N -2.42 1.53 -2.59 4.77 8.25 -0.08 -4.95 115.22 119.73 3i2c n HIS 56 Ca 0.02 -1.85 -0.18 0.00 -0.26 0.00 0.00 57.72 55.45 3i2c n HIS 56 Cb 0.25 -0.55 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 3i2c n HIS 56 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i2c n ASN 57 N -1.04 -5.11 -3.06 0.41 5.03 -0.83 -1.74 115.26 108.92 3i2c n ASN 57 Ca 0.38 -0.02 -0.22 0.00 0.87 0.00 0.00 54.58 55.59 3i2c n ASN 57 Cb 0.99 -4.25 0.02 0.00 -1.02 0.00 0.00 39.78 35.52 3i2c n ASN 57 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3i2c n TYR 58 N -3.88 -1.87 -1.79 3.10 4.02 -0.72 -4.87 117.16 111.15 3i2c n TYR 58 Ca -0.17 0.47 -0.41 0.00 -0.01 0.00 0.00 57.90 57.78 3i2c n TYR 58 Cb 0.64 -4.03 0.00 0.00 -0.02 0.00 0.00 39.34 35.94 3i2c n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i2c s ALA 59 N -3.09 3.49 0.06 -0.72 0.00 -0.71 -4.48 121.76 116.31 3i2c s ALA 59 Ca 0.30 1.56 0.08 0.00 0.00 0.00 0.00 51.96 53.90 3i2c s ALA 59 Cb -0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3i2c s ALA 59 CO 0.38 -1.11 -0.23 -0.08 0.00 0.00 0.00 175.76 174.72 3i2c s THR 60 N -1.14 1.83 -0.11 0.00 -1.32 -1.26 -0.56 115.64 113.09 3i2c s THR 60 Ca 0.55 -1.36 -0.08 0.00 -1.21 0.00 0.00 61.69 59.59 3i2c s THR 60 Cb -0.46 -1.60 0.04 0.00 -1.51 0.00 0.00 72.50 68.96 3i2c s THR 60 CO 0.62 0.17 0.27 -1.81 -2.21 0.00 0.00 174.62 171.66 3i2c s ASP 61 N -1.42 -0.29 0.08 8.08 1.11 -0.35 -4.98 116.67 118.90 3i2c s ASP 61 Ca 0.09 0.55 0.07 0.00 0.18 0.00 0.00 52.55 53.44 3i2c s ASP 61 Cb -0.09 0.50 -0.03 0.00 1.07 0.00 0.00 42.92 44.37 3i2c s ASP 61 CO 0.03 -0.13 -0.19 -0.31 1.18 0.00 0.00 175.17 175.75 3i2c s TYR 62 N 0.65 1.60 0.29 4.23 1.51 -1.26 -0.14 117.35 124.22 3i2c s TYR 62 Ca -0.04 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 3i2c s TYR 62 Cb -0.06 -0.90 -0.11 0.00 -0.11 0.00 0.00 41.96 40.78 3i2c s TYR 62 CO -0.04 0.14 1.54 0.00 -1.11 0.00 0.00 175.55 176.08 3i2c s ALA 63 N -1.10 3.70 0.21 3.71 0.00 0.17 -4.86 121.76 123.59 3i2c s ALA 63 Ca 0.04 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 3i2c s ALA 63 Cb -0.10 -3.62 0.27 0.00 0.00 0.00 0.00 23.12 19.68 3i2c s ALA 63 CO 0.03 -0.92 1.70 0.22 0.00 0.00 0.00 175.76 176.79 3i2c h ASP 64 N 4.78 -0.06 0.00 0.00 -0.00 -1.94 -2.38 116.42 116.81 3i2c h ASP 64 Ca -0.47 0.12 0.00 0.00 -0.00 0.00 0.00 57.03 56.68 3i2c h ASP 64 Cb 1.22 0.17 0.00 0.00 -0.00 0.00 0.00 39.33 40.73 3i2c h ASP 64 CO 0.78 -0.02 0.38 -0.81 -0.00 0.00 0.00 179.24 179.57 3i2c n PRO 65 N -5.16 0.02 0.00 0.28 -0.04 -1.26 -0.55 135.00 128.29 3i2c n PRO 65 Ca 0.08 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3i2c n PRO 65 Cb 0.32 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3i2c n PRO 65 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i2c n VAL 66 N -1.44 0.32 -0.30 0.52 0.24 -0.90 -4.92 118.33 111.84 3i2c n VAL 66 Ca -0.00 -0.44 0.10 0.00 -2.04 0.00 0.00 64.34 61.95 3i2c n VAL 66 Cb 0.38 1.03 0.22 0.00 -1.47 0.00 0.00 33.84 34.01 3i2c n VAL 66 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3i2c h LYS 67 N 0.00 0.07 -0.13 7.34 3.11 -0.79 -1.21 116.57 124.96 3i2c h LYS 67 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3i2c h LYS 67 Cb 0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 3i2c h LYS 67 CO 0.00 0.04 0.00 -0.25 -2.81 0.00 0.00 179.45 176.43 3i2c n ASP 68 N -5.41 2.99 -0.02 4.20 8.00 -1.26 -4.55 116.55 120.49 3i2c n ASP 68 Ca 0.18 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3i2c n ASP 68 Cb 0.61 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.57 3i2c n ASP 68 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i2c n ARG 69 N 1.28 1.48 -4.35 -1.24 1.74 -0.51 -5.01 116.66 110.04 3i2c n ARG 69 Ca 0.14 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 3i2c n ARG 69 Cb 0.56 -1.21 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 3i2c n ARG 69 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i2c s PHE 70 N -2.40 2.76 -0.07 -1.55 0.40 -0.85 -0.31 117.98 115.96 3i2c s PHE 70 Ca -0.04 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3i2c s PHE 70 Cb 0.04 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.11 3i2c s PHE 70 CO 0.34 0.39 0.00 0.99 0.70 0.00 0.00 175.22 177.64 3i2c s THR 71 N -1.11 0.36 -0.07 0.64 2.01 0.09 -4.93 115.64 112.62 3i2c s THR 71 Ca 0.19 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 3i2c s THR 71 Cb -0.11 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3i2c s THR 71 CO 0.11 0.25 0.30 -0.63 -0.69 0.00 0.00 174.62 173.96 3i2c s ILE 72 N 1.91 5.24 0.05 1.82 1.01 -1.26 -1.15 121.20 128.81 3i2c s ILE 72 Ca 0.04 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 3i2c s ILE 72 Cb -0.12 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3i2c s ILE 72 CO -0.05 0.55 0.04 -0.55 0.00 0.00 0.00 174.94 174.93 3i2c s SER 73 N -0.73 0.31 -0.12 3.58 0.15 -0.30 -4.98 113.70 111.61 3i2c s SER 73 Ca 0.19 -0.73 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 3i2c s SER 73 Cb -0.14 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 3i2c s SER 73 CO 0.08 -0.54 0.27 -0.60 1.20 0.00 0.00 173.24 173.65 3i2c s ARG 74 N -3.11 0.22 -0.61 5.44 3.52 -1.26 -0.13 118.95 123.01 3i2c s ARG 74 Ca -0.01 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 3i2c s ARG 74 Cb 0.02 -0.09 0.15 0.00 -1.56 0.00 0.00 34.95 33.48 3i2c s ARG 74 CO -0.07 -0.19 0.40 0.34 -0.81 0.00 0.00 175.30 174.97 3i2c s ASP 75 N 1.52 4.86 0.13 -2.12 3.68 0.70 -4.99 116.67 120.46 3i2c s ASP 75 Ca -0.07 -3.09 -0.25 0.00 2.13 0.00 0.00 52.55 51.27 3i2c s ASP 75 Cb -0.10 -1.75 -0.03 0.00 -1.45 0.00 0.00 42.92 39.58 3i2c s ASP 75 CO -0.09 -0.27 1.64 0.44 0.13 0.00 0.00 175.17 177.02 3i2c h ASP 76 N 6.57 -0.72 0.18 -0.34 3.45 -1.96 0.23 116.42 123.82 3i2c h ASP 76 Ca -0.01 0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 3i2c h ASP 76 Cb 0.90 0.31 -0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3i2c h ASP 76 CO 0.71 -0.30 -0.01 0.77 -1.57 0.00 0.00 179.24 178.85 3i2c h SER 77 N -0.34 0.00 -0.01 6.45 4.64 -1.97 -1.55 113.55 120.77 3i2c h SER 77 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3i2c h SER 77 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3i2c h SER 77 CO -0.25 0.01 -0.08 0.00 -0.87 0.00 0.00 176.83 175.63 3i2c n GLN 78 N -3.19 1.17 -3.43 4.77 6.02 -0.96 -5.03 117.38 116.74 3i2c n GLN 78 Ca -0.02 -0.80 -0.20 0.00 -0.01 0.00 0.00 57.00 55.97 3i2c n GLN 78 Cb 0.12 -1.10 0.08 0.00 1.02 0.00 0.00 30.24 30.35 3i2c n GLN 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i2c n GLY 79 N 0.65 -0.37 3.46 1.08 0.00 0.74 -4.79 105.19 105.95 3i2c n GLY 79 Ca 0.04 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3i2c n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2c s LEU 80 N -6.47 2.64 -0.05 0.99 1.43 -0.77 -0.93 118.68 115.52 3i2c s LEU 80 Ca 0.34 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3i2c s LEU 80 Cb -0.15 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3i2c s LEU 80 CO 0.67 0.30 -0.22 -0.22 0.23 0.00 0.00 176.35 177.11 3i2c s LEU 81 N -1.07 2.28 0.11 1.79 0.20 -0.55 -0.21 118.68 121.23 3i2c s LEU 81 Ca 0.13 -0.40 0.09 0.00 0.69 0.00 0.00 54.13 54.63 3i2c s LEU 81 Cb -0.11 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 3i2c s LEU 81 CO 0.03 0.29 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.85 3i2c s TYR 82 N -0.42 1.86 -0.30 5.38 2.02 0.82 -0.31 117.35 126.40 3i2c s TYR 82 Ca 0.04 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3i2c s TYR 82 Cb -0.12 -1.01 0.10 0.00 -0.40 0.00 0.00 41.96 40.53 3i2c s TYR 82 CO 0.01 0.23 0.11 -1.17 -1.57 0.00 0.00 175.55 173.16 3i2c s LEU 83 N -1.95 1.39 -0.22 -1.29 0.20 -0.67 -1.14 118.68 115.00 3i2c s LEU 83 Ca 0.08 -1.44 -0.16 0.00 0.69 0.00 0.00 54.13 53.29 3i2c s LEU 83 Cb -0.10 -0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 45.02 3i2c s LEU 83 CO 0.05 -0.42 0.43 -1.48 -0.29 0.00 0.00 176.35 174.63 3i2c s LEU 84 N 1.86 4.12 -0.28 -0.68 0.05 -0.30 -1.57 118.68 121.88 3i2c s LEU 84 Ca 0.09 0.51 -0.04 0.00 0.05 0.00 0.00 54.13 54.73 3i2c s LEU 84 Cb -0.17 -2.55 0.02 0.00 -2.05 0.00 0.00 46.19 41.44 3i2c s LEU 84 CO -0.30 -0.13 0.02 0.00 -0.55 0.00 0.00 176.35 175.39 3i2c s MET 85 N 1.59 2.93 0.28 1.48 0.23 0.01 -0.73 119.30 125.09 3i2c s MET 85 Ca 0.19 -0.95 0.03 0.00 -1.03 0.00 0.00 55.69 53.94 3i2c s MET 85 Cb -0.15 -3.22 -0.03 0.00 -1.53 0.00 0.00 34.83 29.90 3i2c s MET 85 CO 0.09 -0.45 0.44 -0.80 -2.03 0.00 0.00 175.02 172.27 3i2c s ASN 86 N 1.41 6.31 -0.95 -1.18 0.02 0.57 -2.35 114.94 118.78 3i2c s ASN 86 Ca 0.01 0.25 -0.11 0.00 -1.02 0.00 0.00 52.86 51.99 3i2c s ASN 86 Cb -0.17 -1.94 0.01 0.00 0.02 0.00 0.00 41.25 39.16 3i2c s ASN 86 CO -0.00 -0.16 0.68 -3.20 0.02 0.00 0.00 177.10 174.44 3i2c n ASN 87 N -1.52 -5.38 -4.77 -1.22 5.15 -1.02 -4.76 115.26 101.75 3i2c n ASN 87 Ca -0.07 -0.88 -0.33 0.00 -0.60 0.00 0.00 54.58 52.70 3i2c n ASN 87 Cb 0.56 -2.73 0.05 0.00 -0.53 0.00 0.00 39.78 37.14 3i2c n ASN 87 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i2c s LEU 88 N -5.58 3.33 0.09 1.20 1.43 -0.27 -4.69 118.68 114.19 3i2c s LEU 88 Ca 0.20 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.29 3i2c s LEU 88 Cb -0.09 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 3i2c s LEU 88 CO 0.87 -1.67 -0.11 -0.54 0.23 0.00 0.00 176.35 175.13 3i2c s LYS 89 N -4.25 0.86 0.30 1.70 1.02 -1.26 -0.27 119.74 117.84 3i2c s LYS 89 Ca 0.66 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.53 3i2c s LYS 89 Cb -0.20 -0.64 0.71 0.00 -0.52 0.00 0.00 37.83 37.19 3i2c s LYS 89 CO 0.44 0.11 1.57 1.15 -0.92 0.00 0.00 175.35 177.70 3i2c h THR 90 N 3.72 0.01 0.00 2.17 2.02 -1.98 0.57 112.91 119.42 3i2c h THR 90 Ca -0.38 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3i2c h THR 90 Cb 1.19 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3i2c h THR 90 CO 0.50 0.00 -0.06 1.05 0.37 0.00 0.00 175.52 177.38 3i2c h GLU 91 N 0.00 0.00 0.00 6.66 9.09 -1.96 -2.64 114.58 125.74 3i2c h GLU 91 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 3i2c h GLU 91 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 3i2c h GLU 91 CO -0.95 0.06 0.00 -0.25 0.05 0.00 0.00 179.01 177.92 3i2c n ASP 92 N -3.32 0.00 -4.64 3.06 8.00 0.19 -4.75 116.55 115.09 3i2c n ASP 92 Ca -0.01 0.24 -0.45 0.00 0.71 0.00 0.00 54.79 55.28 3i2c n ASP 92 Cb 0.22 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 3i2c n ASP 92 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i2c n THR 93 N -1.38 0.59 -3.61 -3.53 -1.04 -1.00 -4.86 114.28 99.46 3i2c n THR 93 Ca 0.06 -0.20 -0.01 0.00 -2.04 0.00 0.00 64.05 61.87 3i2c n THR 93 Cb 0.16 -2.19 -0.01 0.00 -1.82 0.00 0.00 70.33 66.48 3i2c n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2c s ALA 94 N 5.30 -2.17 -0.02 2.41 0.00 -0.63 -4.48 121.76 122.18 3i2c s ALA 94 Ca 0.94 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 3i2c s ALA 94 Cb -0.53 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3i2c s ALA 94 CO 0.44 -0.90 0.92 1.41 0.00 0.00 0.00 175.76 177.63 3i2c s MET 95 N -2.44 4.53 -0.04 0.00 -2.45 -0.01 -1.28 119.30 117.61 3i2c s MET 95 Ca 0.13 1.31 0.01 0.00 -1.25 0.00 0.00 55.69 55.88 3i2c s MET 95 Cb 0.03 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.61 3i2c s MET 95 CO -0.04 -0.04 -0.04 0.71 1.05 0.00 0.00 175.02 176.66 3i2c s TYR 96 N 1.01 2.98 -0.02 4.11 1.51 -0.76 -1.14 117.35 125.04 3i2c s TYR 96 Ca 0.49 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.63 3i2c s TYR 96 Cb -0.20 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3i2c s TYR 96 CO 0.26 0.39 -0.13 0.71 -1.11 0.00 0.00 175.55 175.66 3i2c s TYR 97 N -0.92 1.20 0.04 2.71 2.02 0.86 -1.97 117.35 121.29 3i2c s TYR 97 Ca 0.15 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3i2c s TYR 97 Cb -0.11 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3i2c s TYR 97 CO 0.05 -0.05 0.22 0.00 -1.57 0.00 0.00 175.55 174.20 3i2c s MET 99 N -2.28 0.91 -0.16 0.00 0.23 -0.33 -0.79 119.30 116.88 3i2c s MET 99 Ca 0.32 -1.27 -0.11 0.00 -1.03 0.00 0.00 55.69 53.60 3i2c s MET 99 Cb -0.13 0.28 -0.05 0.00 -1.53 0.00 0.00 34.83 33.41 3i2c s MET 99 CO 0.24 -0.27 0.20 0.50 -2.03 0.00 0.00 175.02 173.66 3i2c s ARG 100 N -3.98 4.03 -0.87 3.16 3.52 -0.27 -1.77 118.95 122.77 3i2c s ARG 100 Ca 0.17 -0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.46 3i2c s ARG 100 Cb 0.06 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 3i2c s ARG 100 CO -0.02 0.41 1.48 -2.00 -0.81 0.00 0.00 175.30 174.36 3i2c s GLU 101 N -0.00 3.25 0.00 5.12 2.12 -0.52 -2.17 118.70 126.51 3i2c s GLU 101 Ca 0.13 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.89 3i2c s GLU 101 Cb -0.12 -4.83 0.00 0.00 0.26 0.00 0.00 34.13 29.44 3i2c s GLU 101 CO 0.02 -2.36 0.00 0.41 -0.54 0.00 0.00 175.26 172.79 3i2c n GLY 102 N 6.26 0.30 0.09 -1.50 0.00 0.19 -4.64 105.19 105.89 3i2c n GLY 102 Ca 0.22 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 3i2c n GLY 102 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2c h ILE 103 N 0.00 0.00 -1.95 -0.61 6.09 -1.93 -3.22 117.51 115.89 3i2c h ILE 103 Ca 0.00 0.00 -0.59 0.00 -1.37 0.00 0.00 64.86 62.90 3i2c h ILE 103 Cb 0.00 0.00 -0.42 0.00 0.47 0.00 0.00 36.82 36.87 3i2c h ILE 103 CO 0.00 0.00 -0.69 -1.22 -3.07 0.00 0.00 178.15 173.17 3i2c n TYR 104 N -3.49 3.71 -0.98 2.19 4.02 -1.26 -4.77 117.16 116.58 3i2c n TYR 104 Ca 0.00 -3.62 0.00 0.00 -0.01 0.00 0.00 57.90 54.27 3i2c n TYR 104 Cb 0.06 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 3i2c n TYR 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2c n GLY 105 N -0.33 0.40 3.84 2.72 0.00 -1.21 -5.01 105.19 105.59 3i2c n GLY 105 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 3i2c n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2c s SER 106 N -2.11 4.49 -0.45 1.61 1.04 -1.26 -4.88 113.70 112.15 3i2c s SER 106 Ca 0.00 1.06 -0.03 0.00 0.48 0.00 0.00 55.95 57.46 3i2c s SER 106 Cb 0.00 -1.72 0.12 0.00 0.10 0.00 0.00 66.02 64.52 3i2c s SER 106 CO 0.00 -1.94 0.25 -0.36 0.98 0.00 0.00 173.24 172.16 3i2c s PHE 107 N -3.33 3.55 -0.04 5.02 2.99 -1.26 -0.64 117.98 124.27 3i2c s PHE 107 Ca 0.61 -2.46 -0.25 0.00 0.00 0.00 0.00 56.93 54.83 3i2c s PHE 107 Cb -0.13 -3.23 -0.22 0.00 0.00 0.00 0.00 43.02 39.45 3i2c s PHE 107 CO 0.52 -0.95 1.09 0.00 -0.00 0.00 0.00 175.22 175.88 3i2c h ALA 108 N 7.88 0.04 -4.48 5.36 0.00 -1.79 -3.46 119.26 122.81 3i2c h ALA 108 Ca -0.11 -0.40 -0.69 0.00 0.00 0.00 0.00 54.91 53.71 3i2c h ALA 108 Cb 1.03 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.54 3i2c h ALA 108 CO 0.70 0.00 -0.88 0.71 0.00 0.00 0.00 179.25 179.78 3i2c s TYR 109 N -3.42 2.27 -0.02 0.00 1.51 -1.26 -5.00 117.35 111.43 3i2c s TYR 109 Ca -0.16 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.52 3i2c s TYR 109 Cb 0.01 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 3i2c s TYR 109 CO 0.72 0.02 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.44 3i2c s TRP 110 N -0.67 1.52 0.90 2.71 0.52 -1.26 -1.11 118.94 121.56 3i2c s TRP 110 Ca 0.10 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.77 3i2c s TRP 110 Cb -0.10 -1.00 0.14 0.00 -1.15 0.00 0.00 33.47 31.35 3i2c s TRP 110 CO 0.00 -0.08 1.10 0.20 0.02 0.00 0.00 176.95 178.19 3i2c s GLY 111 N -0.20 1.64 0.09 0.98 0.00 0.03 -4.66 107.32 105.19 3i2c s GLY 111 Ca 0.02 0.15 0.26 0.00 0.00 0.00 0.00 44.72 45.16 3i2c s GLY 111 CO 0.00 0.62 1.82 0.61 0.00 0.00 0.00 173.10 176.16 3i2c n GLN 112 N -4.01 0.10 0.00 2.90 0.00 -1.25 -4.73 117.38 110.39 3i2c n GLN 112 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 57.00 57.20 3i2c n GLN 112 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.15 3i2c n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i2c n GLY 113 N 1.19 2.28 2.79 2.61 0.00 -1.26 -5.09 105.19 107.72 3i2c n GLY 113 Ca 0.06 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 3i2c n GLY 113 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i2c s THR 114 N -1.60 -0.10 -0.05 2.61 -1.32 -0.83 -4.89 115.64 109.46 3i2c s THR 114 Ca 0.00 0.28 -0.26 0.00 -1.21 0.00 0.00 61.69 60.50 3i2c s THR 114 Cb 0.00 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 3i2c s THR 114 CO 0.00 0.12 0.81 -0.22 -2.21 0.00 0.00 174.62 173.12 3i2c s LEU 115 N 1.55 4.33 -0.21 9.08 2.96 -1.26 -1.83 118.68 133.29 3i2c s LEU 115 Ca -0.04 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3i2c s LEU 115 Cb -0.12 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.31 3i2c s LEU 115 CO -0.04 -0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.01 3i2c s VAL 116 N 0.94 2.72 -0.16 1.68 1.01 -0.40 -1.50 120.40 124.70 3i2c s VAL 116 Ca 0.43 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3i2c s VAL 116 Cb -0.19 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3i2c s VAL 116 CO 0.22 0.39 -0.02 -0.89 0.00 0.00 0.00 175.10 174.79 3i2c s THR 117 N 1.36 4.04 -0.33 3.92 2.01 -0.99 -1.61 115.64 124.04 3i2c s THR 117 Ca 0.04 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 3i2c s THR 117 Cb -0.15 -2.77 0.06 0.00 0.01 0.00 0.00 72.50 69.65 3i2c s THR 117 CO -0.07 0.49 0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 3i2c s VAL 118 N 0.29 3.14 0.25 3.82 1.01 -1.26 -0.42 120.40 127.23 3i2c s VAL 118 Ca -0.02 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 3i2c s VAL 118 Cb -0.14 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.39 3i2c s VAL 118 CO 0.02 -0.25 0.74 -0.94 0.00 0.00 0.00 175.10 174.68 3i2c s SER 119 N 1.38 -0.28 0.11 3.32 1.04 -0.83 -4.41 113.70 114.02 3i2c s SER 119 Ca -0.02 -0.51 0.24 0.00 0.48 0.00 0.00 55.95 56.14 3i2c s SER 119 Cb -0.20 0.68 0.32 0.00 0.10 0.00 0.00 66.02 66.91 3i2c s SER 119 CO -0.01 -1.24 1.29 0.00 0.98 0.00 0.00 173.24 174.26 3i2c n ALA 120 N -0.45 2.99 -1.45 5.32 0.00 -1.26 -4.06 120.51 121.60 3i2c n ALA 120 Ca -0.06 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 3i2c n ALA 120 Cb 0.60 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.97 3i2c n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i2c n ALA 121 N -1.82 -0.45 -2.78 0.00 0.00 -1.26 -4.98 120.51 109.22 3i2c n ALA 121 Ca 0.03 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 3i2c n ALA 121 Cb 0.44 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 3i2c n ALA 121 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i2c s LYS 122 N -2.88 3.55 -0.06 0.00 1.02 -1.26 -5.04 119.74 115.07 3i2c s LYS 122 Ca 0.72 -0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 3i2c s LYS 122 Cb -0.38 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 3i2c s LYS 122 CO 0.51 0.60 1.58 -0.08 -0.92 0.00 0.00 175.35 177.04 3i2c s THR 123 N -1.42 3.67 -0.08 2.17 -1.32 -1.26 -4.74 115.64 112.66 3i2c s THR 123 Ca 0.32 0.85 0.01 0.00 -1.21 0.00 0.00 61.69 61.65 3i2c s THR 123 Cb -0.13 -3.55 0.02 0.00 -1.51 0.00 0.00 72.50 67.33 3i2c s THR 123 CO 0.20 -0.07 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.58 3i2c s THR 124 N 3.75 0.88 0.62 5.08 2.01 -0.05 -4.95 115.64 122.98 3i2c s THR 124 Ca 0.70 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 3i2c s THR 124 Cb -0.32 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 3i2c s THR 124 CO 0.27 0.32 1.15 -2.16 -0.69 0.00 0.00 174.62 173.51 3i2c s PRO 125 N 1.22 2.93 0.45 4.92 0.04 -1.26 -1.69 135.00 141.62 3i2c s PRO 125 Ca -0.05 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 3i2c s PRO 125 Cb -0.14 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3i2c s PRO 125 CO -0.02 -1.18 0.77 -1.25 0.04 0.00 0.00 177.00 175.36 3i2c s PRO 126 N -3.67 3.60 -0.38 0.56 0.04 -1.26 -4.53 135.00 129.37 3i2c s PRO 126 Ca 0.72 0.25 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 3i2c s PRO 126 Cb -0.24 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 31.94 3i2c s PRO 126 CO 0.36 -0.14 0.21 -1.12 0.04 0.00 0.00 177.00 176.34 3i2c s SER 127 N -3.83 5.69 -0.24 6.66 0.01 -0.62 -4.94 113.70 116.43 3i2c s SER 127 Ca 0.48 -1.08 -0.26 0.00 1.31 0.00 0.00 55.95 56.40 3i2c s SER 127 Cb -0.10 -2.01 -0.00 0.00 0.21 0.00 0.00 66.02 64.12 3i2c s SER 127 CO 0.41 -0.40 0.90 -0.69 0.41 0.00 0.00 173.24 173.86 3i2c s VAL 128 N 1.52 4.79 -0.02 3.43 1.01 -1.26 -2.67 120.40 127.20 3i2c s VAL 128 Ca 0.02 1.72 0.06 0.00 0.00 0.00 0.00 61.98 63.78 3i2c s VAL 128 Cb -0.20 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3i2c s VAL 128 CO 0.06 -0.11 -0.20 -0.31 0.00 0.00 0.00 175.10 174.54 3i2c s TYR 129 N 2.94 2.51 0.45 5.22 2.02 0.71 -4.96 117.35 126.24 3i2c s TYR 129 Ca 0.38 -0.30 -0.21 0.00 -0.37 0.00 0.00 57.07 56.57 3i2c s TYR 129 Cb -0.15 -1.54 -0.10 0.00 -0.40 0.00 0.00 41.96 39.77 3i2c s TYR 129 CO 0.07 0.11 0.99 -1.25 -1.57 0.00 0.00 175.55 173.89 3i2c s PRO 130 N -0.83 4.06 -0.33 -1.71 0.04 -1.26 -0.34 135.00 134.62 3i2c s PRO 130 Ca 0.11 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.42 3i2c s PRO 130 Cb -0.10 -2.16 0.10 0.00 0.04 0.00 0.00 34.50 32.37 3i2c s PRO 130 CO 0.01 -0.19 0.04 -0.51 0.04 0.00 0.00 177.00 176.39 3i2c s LEU 131 N -3.27 4.44 -0.00 -3.56 1.43 -0.44 -4.83 118.68 112.44 3i2c s LEU 131 Ca 0.64 -2.06 0.03 0.00 -1.03 0.00 0.00 54.13 51.72 3i2c s LEU 131 Cb -0.12 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3i2c s LEU 131 CO 0.16 -0.37 -0.09 0.00 0.23 0.00 0.00 176.35 176.29 3i2c s ALA 132 N 0.98 2.94 0.48 4.21 0.00 -1.26 -2.06 121.76 127.04 3i2c s ALA 132 Ca 0.09 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 3i2c s ALA 132 Cb -0.19 -1.08 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 3i2c s ALA 132 CO -0.09 0.60 1.30 -1.25 0.00 0.00 0.00 175.76 176.32 3i2c s PRO 133 N -1.30 3.56 0.40 0.00 0.04 -1.26 -4.95 135.00 131.50 3i2c s PRO 133 Ca 0.16 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 3i2c s PRO 133 Cb -0.11 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.86 3i2c s PRO 133 CO 0.06 -0.81 1.39 0.41 0.04 0.00 0.00 177.00 178.09 3i2c n GLY 134 N 0.62 0.90 0.30 0.56 0.00 -1.26 -4.85 105.19 101.46 3i2c n GLY 134 Ca 0.07 0.25 0.10 0.00 0.00 0.00 0.00 46.02 46.44 3i2c n GLY 134 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3i2c h SER 135 N 2.51 0.37 -1.61 1.61 0.87 -1.89 -2.57 113.55 112.84 3i2c h SER 135 Ca -0.49 0.13 -0.68 0.00 -1.23 0.00 0.00 61.79 59.51 3i2c h SER 135 Cb 1.27 0.09 -0.25 0.00 -0.44 0.00 0.00 62.40 63.07 3i2c h SER 135 CO 0.62 0.09 0.87 0.00 -0.53 0.00 0.00 176.83 177.88 3i2c n ALA 136 N -2.49 6.44 -2.77 6.23 0.00 -1.26 -4.95 120.51 121.72 3i2c n ALA 136 Ca 0.19 -3.71 -0.35 0.00 0.00 0.00 0.00 53.44 49.57 3i2c n ALA 136 Cb 0.53 -1.98 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 3i2c n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i2c s ALA 137 N -3.44 3.36 0.47 0.00 0.00 -0.97 -5.11 121.76 116.08 3i2c s ALA 137 Ca 0.54 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 3i2c s ALA 137 Cb 0.43 -1.64 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 3i2c s ALA 137 CO -0.31 0.47 0.98 -0.65 0.00 0.00 0.00 175.76 176.25 3i2c s GLN 138 N -0.51 4.03 0.80 0.00 1.11 -1.26 -5.05 119.66 118.77 3i2c s GLN 138 Ca 0.09 1.11 -0.12 0.00 0.01 0.00 0.00 55.36 56.46 3i2c s GLN 138 Cb -0.12 -2.15 0.07 0.00 -1.01 0.00 0.00 33.01 29.80 3i2c s GLN 138 CO 0.02 -0.21 1.10 0.99 0.01 0.00 0.00 175.29 177.21 3i2c s THR 139 N -2.30 2.99 -0.40 -0.19 2.01 -1.26 -5.04 115.64 111.46 3i2c s THR 139 Ca 0.62 0.32 0.09 0.00 0.31 0.00 0.00 61.69 63.03 3i2c s THR 139 Cb -0.11 -3.11 0.38 0.00 0.01 0.00 0.00 72.50 69.67 3i2c s THR 139 CO 0.21 -0.42 1.35 0.59 -0.69 0.00 0.00 174.62 175.66 3i2c n ASN 140 N -3.41 -1.87 0.00 3.53 4.13 -1.26 -5.02 115.26 111.36 3i2c n ASN 140 Ca 0.07 -2.42 0.00 0.00 1.68 0.00 0.00 54.58 53.91 3i2c n ASN 140 Cb 0.57 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.82 3i2c n ASN 140 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3i2c n SER 141 N -0.62 0.00 -4.02 6.41 2.88 -1.26 -4.78 113.62 112.23 3i2c n SER 141 Ca -0.04 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.37 3i2c n SER 141 Cb 0.84 -0.05 -0.12 0.00 -0.75 0.00 0.00 64.21 64.13 3i2c n SER 141 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3i2c s MET 142 N 0.00 0.45 0.03 -1.46 1.00 -1.26 -1.82 119.30 116.23 3i2c s MET 142 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 55.69 55.14 3i2c s MET 142 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 34.83 34.60 3i2c s MET 142 CO 0.00 0.03 -0.22 0.54 0.00 0.00 0.00 175.02 175.38 3i2c s VAL 143 N -1.20 2.50 -0.13 -6.03 0.11 -0.49 -4.77 120.40 110.38 3i2c s VAL 143 Ca -0.10 -1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 57.72 3i2c s VAL 143 Cb -0.09 -2.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.74 3i2c s VAL 143 CO 0.00 0.40 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.24 3i2c s THR 144 N -0.83 3.93 0.42 5.04 2.01 -1.26 -1.37 115.64 123.59 3i2c s THR 144 Ca 0.13 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.81 3i2c s THR 144 Cb -0.10 -2.69 -0.06 0.00 0.01 0.00 0.00 72.50 69.66 3i2c s THR 144 CO 0.03 0.53 0.02 -0.76 -0.69 0.00 0.00 174.62 173.76 3i2c s LEU 145 N -0.10 2.56 0.00 4.42 1.43 0.15 -4.62 118.68 122.52 3i2c s LEU 145 Ca 0.02 -1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 51.50 3i2c s LEU 145 Cb -0.13 -0.73 0.06 0.00 0.03 0.00 0.00 46.19 45.42 3i2c s LEU 145 CO 0.02 -0.61 0.77 0.61 0.23 0.00 0.00 176.35 177.37 3i2c n GLY 146 N -1.00 0.95 3.06 -3.19 0.00 -0.88 -0.01 105.19 104.13 3i2c n GLY 146 Ca -0.08 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 3i2c n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2c s LEU 148 N -1.27 2.19 -0.41 0.00 2.96 0.54 -1.22 118.68 121.47 3i2c s LEU 148 Ca -0.06 -0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 3i2c s LEU 148 Cb -0.08 -1.50 0.08 0.00 0.50 0.00 0.00 46.19 45.19 3i2c s LEU 148 CO 0.01 0.01 0.23 -0.69 -1.32 0.00 0.00 176.35 174.59 3i2c s VAL 149 N 1.21 4.06 0.12 1.68 1.01 -0.28 -0.21 120.40 128.00 3i2c s VAL 149 Ca 0.03 -1.45 0.11 0.00 0.00 0.00 0.00 61.98 60.67 3i2c s VAL 149 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3i2c s VAL 149 CO -0.10 -0.49 -0.26 -0.75 0.00 0.00 0.00 175.10 173.50 3i2c s LYS 150 N 1.39 1.38 -0.82 2.72 2.20 -1.09 0.13 119.74 125.65 3i2c s LYS 150 Ca 0.03 -1.32 -0.02 0.00 -0.36 0.00 0.00 55.97 54.30 3i2c s LYS 150 Cb -0.23 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 3i2c s LYS 150 CO 0.01 0.44 0.70 0.41 -0.36 0.00 0.00 175.35 176.55 3i2c n GLY 151 N 0.96 -0.36 3.23 5.54 0.00 -0.94 -1.59 105.19 112.04 3i2c n GLY 151 Ca -0.18 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3i2c n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i2c s TYR 152 N -3.27 1.27 -0.28 1.61 1.13 -0.97 -4.35 117.35 112.50 3i2c s TYR 152 Ca 0.16 -0.68 -0.22 0.00 -1.41 0.00 0.00 57.07 54.92 3i2c s TYR 152 Cb -0.02 -0.65 0.08 0.00 -1.10 0.00 0.00 41.96 40.27 3i2c s TYR 152 CO 0.53 0.09 0.76 0.12 -2.51 0.00 0.00 175.55 174.54 3i2c s PHE 153 N -2.82 -0.83 0.00 -3.49 5.36 -0.68 0.02 117.98 115.54 3i2c s PHE 153 Ca 0.12 1.87 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 3i2c s PHE 153 Cb -0.01 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 3i2c s PHE 153 CO 0.01 -0.40 0.00 -0.35 -1.46 0.00 0.00 175.22 173.02 3i2c n PRO 154 N 3.19 1.52 -1.29 10.12 -0.04 -1.26 -0.87 135.00 146.37 3i2c n PRO 154 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 3i2c n PRO 154 Cb 0.56 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.11 3i2c n PRO 154 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i2c s GLU 155 N -0.09 2.30 0.67 0.54 0.41 -1.26 -4.79 118.70 116.48 3i2c s GLU 155 Ca 0.00 1.14 0.03 0.00 -0.41 0.00 0.00 54.97 55.72 3i2c s GLU 155 Cb 0.00 -1.90 0.11 0.00 -1.78 0.00 0.00 34.13 30.56 3i2c s GLU 155 CO 0.00 -1.60 0.93 -1.25 -0.49 0.00 0.00 175.26 172.85 3i2c s PRO 156 N -4.92 1.87 0.16 0.39 0.04 -1.26 -4.92 135.00 126.35 3i2c s PRO 156 Ca 0.61 -1.29 0.03 0.00 0.04 0.00 0.00 61.00 60.39 3i2c s PRO 156 Cb -0.17 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 3i2c s PRO 156 CO 0.56 -1.26 -0.04 0.14 0.04 0.00 0.00 177.00 176.44 3i2c s VAL 157 N -2.99 0.85 -0.01 -0.36 -7.23 -1.26 -4.63 120.40 104.76 3i2c s VAL 157 Ca 0.65 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 3i2c s VAL 157 Cb -0.05 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3i2c s VAL 157 CO 0.43 -0.61 -0.22 0.42 -0.31 0.00 0.00 175.10 174.81 3i2c s THR 158 N -3.54 1.72 -0.08 5.32 -4.23 -0.95 -4.98 115.64 108.90 3i2c s THR 158 Ca 0.20 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3i2c s THR 158 Cb 0.05 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.47 3i2c s THR 158 CO 0.02 0.47 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.72 3i2c s VAL 159 N -0.52 1.44 0.19 2.29 1.01 -1.26 -2.20 120.40 121.35 3i2c s VAL 159 Ca 0.08 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3i2c s VAL 159 Cb -0.08 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3i2c s VAL 159 CO -0.01 0.42 -0.07 -0.89 0.00 0.00 0.00 175.10 174.56 3i2c s THR 160 N 0.59 1.20 -0.09 3.92 2.01 -1.03 -4.98 115.64 117.26 3i2c s THR 160 Ca -0.15 -2.07 0.04 0.00 0.31 0.00 0.00 61.69 59.81 3i2c s THR 160 Cb -0.16 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3i2c s THR 160 CO 0.05 -0.57 -0.20 0.26 -0.69 0.00 0.00 174.62 173.46 3i2c s TRP 161 N -3.31 2.59 -1.33 4.92 0.52 -1.25 -0.78 118.94 120.31 3i2c s TRP 161 Ca 0.22 -0.72 -0.14 0.00 0.02 0.00 0.00 56.10 55.48 3i2c s TRP 161 Cb 0.03 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 3i2c s TRP 161 CO 0.04 -0.22 0.48 0.09 0.02 0.00 0.00 176.95 177.37 3i2c n ASN 162 N 3.16 -2.19 0.00 2.95 3.02 -0.16 -1.70 115.26 120.34 3i2c n ASN 162 Ca -0.18 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3i2c n ASN 162 Cb 0.52 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 3i2c n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3i2c n SER 163 N -2.66 -1.92 0.00 6.41 7.64 -1.26 -1.10 113.62 120.73 3i2c n SER 163 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3i2c n SER 163 Cb 0.63 -2.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.21 3i2c n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i2c n GLY 164 N -1.11 1.12 0.18 0.23 0.00 -0.82 -5.02 105.19 99.77 3i2c n GLY 164 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i2c n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i2c h SER 165 N 0.00 0.00 -3.59 1.61 0.02 -0.78 -3.36 113.55 107.45 3i2c h SER 165 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 3i2c h SER 165 Cb 0.00 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.29 3i2c h SER 165 CO 0.00 0.42 -0.53 -0.76 -1.14 0.00 0.00 176.83 174.83 3i2c s LEU 166 N -7.56 4.68 0.00 5.07 1.43 -0.69 -4.86 118.68 116.76 3i2c s LEU 166 Ca -0.01 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 3i2c s LEU 166 Cb 0.13 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3i2c s LEU 166 CO 0.71 -0.39 0.40 -1.54 0.23 0.00 0.00 176.35 175.76 3i2c n SER 167 N 4.96 0.70 0.09 2.29 3.41 -1.26 -3.85 113.62 119.96 3i2c n SER 167 Ca -0.12 -1.12 -0.04 0.00 -0.26 0.00 0.00 58.87 57.33 3i2c n SER 167 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3i2c n SER 167 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3i2c h SER 168 N 0.00 -0.24 -1.16 4.04 0.02 -1.94 -3.40 113.55 110.87 3i2c h SER 168 Ca 0.00 0.01 -0.63 0.00 -0.84 0.00 0.00 61.79 60.33 3i2c h SER 168 Cb 0.32 0.06 -0.36 0.00 0.14 0.00 0.00 62.40 62.55 3i2c h SER 168 CO 0.00 0.08 -0.04 0.61 -1.14 0.00 0.00 176.83 176.34 3i2c n GLY 169 N 0.88 6.05 3.79 -3.77 0.00 -1.26 -5.00 105.19 105.88 3i2c n GLY 169 Ca -0.04 -2.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.04 3i2c n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2c s VAL 170 N -4.93 5.05 -0.33 1.61 1.01 -1.26 -3.22 120.40 118.33 3i2c s VAL 170 Ca 0.54 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 3i2c s VAL 170 Cb 0.44 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 33.16 3i2c s VAL 170 CO -0.09 0.49 0.12 -1.00 0.00 0.00 0.00 175.10 174.63 3i2c s HIS 171 N -0.52 1.51 -0.47 5.22 3.76 -0.60 -4.99 115.29 119.20 3i2c s HIS 171 Ca 0.25 -1.70 -0.17 0.00 -0.15 0.00 0.00 55.06 53.28 3i2c s HIS 171 Cb -0.16 -1.59 0.05 0.00 1.11 0.00 0.00 32.58 31.99 3i2c s HIS 171 CO 0.13 -0.86 0.50 0.99 -0.85 0.00 0.00 174.74 174.65 3i2c s THR 172 N 1.50 5.05 0.27 1.30 2.01 -1.26 -1.42 115.64 123.09 3i2c s THR 172 Ca 0.11 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 3i2c s THR 172 Cb -0.18 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 3i2c s THR 172 CO -0.22 -0.64 0.96 -0.36 -0.69 0.00 0.00 174.62 173.67 3i2c s PHE 173 N 2.18 3.85 0.39 4.92 0.40 -0.62 -5.00 117.98 124.10 3i2c s PHE 173 Ca 0.11 1.85 -0.26 0.00 -0.60 0.00 0.00 56.93 58.03 3i2c s PHE 173 Cb -0.20 -2.99 -0.11 0.00 0.51 0.00 0.00 43.02 40.23 3i2c s PHE 173 CO 0.11 0.28 1.14 -0.35 0.70 0.00 0.00 175.22 177.09 3i2c n PRO 174 N 1.14 1.65 -1.93 0.24 -0.04 -1.26 -4.28 135.00 130.52 3i2c n PRO 174 Ca -0.01 0.59 -0.36 0.00 -0.04 0.00 0.00 63.50 63.68 3i2c n PRO 174 Cb 0.48 -2.17 0.04 0.00 -0.04 0.00 0.00 33.50 31.81 3i2c n PRO 174 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2c s ALA 175 N -1.20 2.49 0.02 0.55 0.00 -1.26 -4.86 121.76 117.51 3i2c s ALA 175 Ca 0.61 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.65 3i2c s ALA 175 Cb -0.56 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 3i2c s ALA 175 CO 0.58 -1.26 -0.24 0.08 0.00 0.00 0.00 175.76 174.93 3i2c s VAL 176 N -1.64 1.89 -0.58 0.00 1.01 -1.06 -4.95 120.40 115.07 3i2c s VAL 176 Ca 0.77 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3i2c s VAL 176 Cb -0.30 -1.61 0.15 0.00 0.00 0.00 0.00 36.38 34.62 3i2c s VAL 176 CO 0.35 0.36 0.44 -0.22 0.00 0.00 0.00 175.10 176.03 3i2c s LEU 177 N -1.00 5.69 0.00 3.92 2.96 -1.26 -1.69 118.68 127.30 3i2c s LEU 177 Ca 0.09 -2.39 0.00 0.00 -0.22 0.00 0.00 54.13 51.62 3i2c s LEU 177 Cb -0.09 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3i2c s LEU 177 CO 0.01 -0.55 0.00 0.00 -1.32 0.00 0.00 176.35 174.49 3i2c n GLN 178 N 4.22 2.61 -1.51 1.98 1.13 -0.78 -4.76 117.38 120.27 3i2c n GLN 178 Ca 0.02 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.81 3i2c n GLN 178 Cb 0.41 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.66 3i2c n GLN 178 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3i2c n SER 179 N 0.00 1.94 -2.27 1.08 7.64 -1.26 -3.11 113.62 117.64 3i2c n SER 179 Ca 0.00 -2.58 -0.19 0.00 1.01 0.00 0.00 58.87 57.11 3i2c n SER 179 Cb 0.00 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 61.71 3i2c n SER 179 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i2c n ASP 180 N 15.21 -5.48 -3.78 6.43 10.43 -1.26 -4.98 116.55 133.12 3i2c n ASP 180 Ca 0.44 0.10 -0.14 0.00 2.57 0.00 0.00 54.79 57.76 3i2c n ASP 180 Cb 0.45 -4.62 -0.14 0.00 1.84 0.00 0.00 41.12 38.65 3i2c n ASP 180 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3i2c s LEU 181 N -5.73 1.07 0.32 0.64 1.43 -1.18 -4.83 118.68 110.40 3i2c s LEU 181 Ca 0.00 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 3i2c s LEU 181 Cb 0.00 0.23 -0.09 0.00 0.03 0.00 0.00 46.19 46.36 3i2c s LEU 181 CO 0.00 -0.11 0.82 -0.31 0.23 0.00 0.00 176.35 176.98 3i2c s TYR 182 N 0.84 3.50 -0.06 0.29 2.02 0.10 -1.87 117.35 122.16 3i2c s TYR 182 Ca -0.07 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 3i2c s TYR 182 Cb -0.09 -2.71 0.02 0.00 -0.40 0.00 0.00 41.96 38.79 3i2c s TYR 182 CO -0.04 0.13 -0.05 0.99 -1.57 0.00 0.00 175.55 175.02 3i2c s THR 183 N -1.83 0.65 0.26 -0.71 2.01 -0.68 -2.21 115.64 113.12 3i2c s THR 183 Ca 0.52 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.45 3i2c s THR 183 Cb -0.13 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 3i2c s THR 183 CO 0.19 0.27 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.12 3i2c s LEU 184 N 1.27 2.42 -0.01 4.42 0.20 0.12 -2.55 118.68 124.55 3i2c s LEU 184 Ca -0.05 -1.19 -0.16 0.00 0.69 0.00 0.00 54.13 53.42 3i2c s LEU 184 Cb -0.14 -0.55 0.03 0.00 -0.43 0.00 0.00 46.19 45.10 3i2c s LEU 184 CO -0.02 -0.38 0.35 -0.55 -0.29 0.00 0.00 176.35 175.46 3i2c s SER 185 N -3.40 -0.23 -0.09 3.68 0.15 -1.26 -1.13 113.70 111.42 3i2c s SER 185 Ca 0.29 0.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.00 3i2c s SER 185 Cb 0.04 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 3i2c s SER 185 CO 0.11 -0.50 0.21 -0.55 1.20 0.00 0.00 173.24 173.71 3i2c s SER 186 N -1.45 -0.21 -0.02 5.45 0.15 -0.36 -1.59 113.70 115.68 3i2c s SER 186 Ca -0.12 0.43 0.04 0.00 0.70 0.00 0.00 55.95 57.00 3i2c s SER 186 Cb -0.04 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 3i2c s SER 186 CO 0.03 -0.14 -0.13 -0.94 1.20 0.00 0.00 173.24 173.26 3i2c s SER 187 N 1.01 4.16 -0.04 5.45 1.04 -0.51 -0.59 113.70 124.22 3i2c s SER 187 Ca -0.07 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3i2c s SER 187 Cb -0.09 -0.87 0.01 0.00 0.10 0.00 0.00 66.02 65.17 3i2c s SER 187 CO -0.06 0.32 -0.11 0.54 0.98 0.00 0.00 173.24 174.90 3i2c s VAL 188 N -0.83 0.99 -0.15 5.02 0.11 0.99 -1.56 120.40 124.97 3i2c s VAL 188 Ca 0.13 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3i2c s VAL 188 Cb -0.11 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3i2c s VAL 188 CO 0.03 0.31 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.02 3i2c s THR 189 N 0.39 1.97 0.15 5.04 2.01 -1.20 0.32 115.64 124.33 3i2c s THR 189 Ca -0.08 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.05 3i2c s THR 189 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3i2c s THR 189 CO 0.02 0.53 -0.11 0.68 -0.69 0.00 0.00 174.62 175.05 3i2c s VAL 190 N 0.97 1.23 0.25 3.82 -7.23 -0.47 -4.55 120.40 114.42 3i2c s VAL 190 Ca -0.04 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 3i2c s VAL 190 Cb -0.15 -1.87 -0.12 0.00 0.56 0.00 0.00 36.38 34.80 3i2c s VAL 190 CO -0.05 -0.73 1.63 -2.65 -0.31 0.00 0.00 175.10 172.99 3i2c n PRO 191 N -0.22 2.65 0.00 4.82 -0.02 -1.26 -1.40 135.00 139.58 3i2c n PRO 191 Ca -0.10 0.95 0.05 0.00 -2.02 0.00 0.00 63.50 62.38 3i2c n PRO 191 Cb 0.61 -2.75 0.27 0.00 -0.02 0.00 0.00 33.50 31.61 3i2c n PRO 191 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i2c n SER 192 N 2.86 0.00 -1.04 2.55 3.41 -0.76 -0.97 113.62 119.67 3i2c n SER 192 Ca 0.12 -0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 3i2c n SER 192 Cb 0.35 -0.11 0.16 0.00 -0.26 0.00 0.00 64.21 64.35 3i2c n SER 192 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i2c n SER 193 N -1.11 3.22 -0.77 4.04 3.41 -1.26 -4.06 113.62 117.08 3i2c n SER 193 Ca 0.06 -1.97 0.09 0.00 -0.26 0.00 0.00 58.87 56.79 3i2c n SER 193 Cb 0.05 -0.15 0.24 0.00 -0.26 0.00 0.00 64.21 64.09 3i2c n SER 193 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i2c n THR 194 N 1.39 2.18 -3.64 6.66 -2.24 -0.14 -4.77 114.28 113.72 3i2c n THR 194 Ca 0.17 -1.89 -0.04 0.00 -2.27 0.00 0.00 64.05 60.02 3i2c n THR 194 Cb 0.59 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 3i2c n THR 194 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i2c s TRP 195 N -2.76 -0.53 0.02 4.78 -0.00 -1.26 -2.69 118.94 116.51 3i2c s TRP 195 Ca 0.40 1.10 0.32 0.00 -0.00 0.00 0.00 56.10 57.92 3i2c s TRP 195 Cb 0.32 0.35 1.21 0.00 -0.00 0.00 0.00 33.47 35.35 3i2c s TRP 195 CO 0.08 -0.26 1.93 -1.35 -0.00 0.00 0.00 176.95 177.35 3i2c h PRO 196 N 5.59 0.00 -0.27 5.86 0.11 -1.93 -3.45 132.00 137.90 3i2c h PRO 196 Ca -0.28 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.86 3i2c h PRO 196 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3i2c h PRO 196 CO 0.18 0.00 -0.13 0.45 -0.21 0.00 0.00 178.00 178.30 3i2c n SER 197 N -3.10 -0.22 -4.81 -2.05 2.88 -1.26 -4.52 113.62 100.55 3i2c n SER 197 Ca 0.01 0.48 -0.23 0.00 -1.33 0.00 0.00 58.87 57.79 3i2c n SER 197 Cb 0.34 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 3i2c n SER 197 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i2c s GLU 198 N -5.21 2.36 -0.01 -1.46 2.02 -1.10 -5.07 118.70 110.23 3i2c s GLU 198 Ca -0.04 -1.73 -0.24 0.00 0.02 0.00 0.00 54.97 52.98 3i2c s GLU 198 Cb 0.05 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 3i2c s GLU 198 CO 0.18 -0.19 0.73 0.99 0.02 0.00 0.00 175.26 176.99 3i2c s THR 199 N -2.56 4.90 -0.13 3.63 2.01 -1.26 -4.50 115.64 117.72 3i2c s THR 199 Ca 0.43 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.96 3i2c s THR 199 Cb 0.00 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.47 3i2c s THR 199 CO 0.25 0.31 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 3i2c s VAL 200 N 0.36 1.01 -0.03 3.82 1.01 -1.26 -5.00 120.40 120.31 3i2c s VAL 200 Ca 0.38 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3i2c s VAL 200 Cb -0.19 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3i2c s VAL 200 CO 0.20 0.28 -0.11 -0.89 0.00 0.00 0.00 175.10 174.58 3i2c s THR 201 N 1.70 0.95 -0.19 3.92 2.01 -1.26 -0.75 115.64 122.02 3i2c s THR 201 Ca 0.04 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 3i2c s THR 201 Cb -0.13 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 3i2c s THR 201 CO -0.08 0.28 0.15 0.00 -0.69 0.00 0.00 174.62 174.28 3i2c s ASN 203 N 0.27 6.06 -0.08 0.00 -0.87 0.04 -1.84 114.94 118.53 3i2c s ASN 203 Ca 0.09 -1.73 -0.10 0.00 -1.57 0.00 0.00 52.86 49.55 3i2c s ASN 203 Cb -0.11 -2.16 -0.05 0.00 -0.02 0.00 0.00 41.25 38.91 3i2c s ASN 203 CO -0.01 -0.78 0.24 -0.69 -2.57 0.00 0.00 177.10 173.29 3i2c s VAL 204 N 1.55 5.33 -0.03 1.60 1.01 -0.65 -2.48 120.40 126.73 3i2c s VAL 204 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3i2c s VAL 204 Cb -0.28 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3i2c s VAL 204 CO 0.03 0.59 -0.00 0.00 0.00 0.00 0.00 175.10 175.72 3i2c s ALA 205 N -0.96 0.36 -0.56 5.51 0.00 -0.93 -2.31 121.76 122.86 3i2c s ALA 205 Ca 0.18 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.32 3i2c s ALA 205 Cb -0.14 -0.35 0.15 0.00 0.00 0.00 0.00 23.12 22.78 3i2c s ALA 205 CO 0.07 -0.10 0.37 -1.58 0.00 0.00 0.00 175.76 174.53 3i2c s HIS 206 N 1.08 2.74 0.44 0.00 2.46 -0.86 -2.24 115.29 118.91 3i2c s HIS 206 Ca -0.09 -2.94 0.21 0.00 0.47 0.00 0.00 55.06 52.71 3i2c s HIS 206 Cb -0.13 -2.25 1.17 0.00 -0.13 0.00 0.00 32.58 31.24 3i2c s HIS 206 CO -0.02 -0.68 1.85 -1.35 -2.47 0.00 0.00 174.74 172.07 3i2c h PRO 207 N 5.93 0.31 -0.49 2.88 0.11 -1.82 -1.85 132.00 137.08 3i2c h PRO 207 Ca 0.09 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.24 3i2c h PRO 207 Cb 0.84 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 3i2c h PRO 207 CO 0.60 0.21 0.20 0.00 -0.21 0.00 0.00 178.00 178.80 3i2c h ALA 208 N 1.60 0.61 -0.71 -0.75 0.00 -1.94 -2.36 119.26 115.71 3i2c h ALA 208 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3i2c h ALA 208 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i2c h ALA 208 CO -0.16 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 177.78 3i2c n SER 209 N -4.96 4.09 -3.84 0.00 3.41 -0.74 -4.96 113.62 106.61 3i2c n SER 209 Ca 0.05 -2.11 -0.28 0.00 -0.26 0.00 0.00 58.87 56.27 3i2c n SER 209 Cb 0.17 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3i2c n SER 209 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i2c n SER 210 N 1.51 -4.12 -4.75 4.04 7.64 -0.89 -4.96 113.62 112.08 3i2c n SER 210 Ca 0.25 -0.77 -0.38 0.00 1.01 0.00 0.00 58.87 58.97 3i2c n SER 210 Cb 0.68 -4.01 -0.06 0.00 -1.01 0.00 0.00 64.21 59.81 3i2c n SER 210 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i2c s THR 211 N -3.39 5.03 -0.40 0.44 2.01 -0.95 -4.98 115.64 113.41 3i2c s THR 211 Ca 0.51 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.65 3i2c s THR 211 Cb -0.25 -3.87 0.16 0.00 0.01 0.00 0.00 72.50 68.54 3i2c s THR 211 CO 0.82 0.39 0.30 -0.54 -0.69 0.00 0.00 174.62 174.90 3i2c s LYS 212 N 0.08 0.82 -0.06 4.92 1.02 -1.26 -2.02 119.74 123.23 3i2c s LYS 212 Ca 0.29 -1.87 -0.05 0.00 0.02 0.00 0.00 55.97 54.36 3i2c s LYS 212 Cb -0.17 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 3i2c s LYS 212 CO 0.14 -1.32 0.16 0.08 -0.92 0.00 0.00 175.35 173.49 3i2c s VAL 213 N 0.38 5.46 0.08 3.17 1.01 -0.98 -5.01 120.40 124.51 3i2c s VAL 213 Ca 0.28 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3i2c s VAL 213 Cb -0.06 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3i2c s VAL 213 CO -0.13 0.46 -0.27 -1.81 0.00 0.00 0.00 175.10 173.36 3i2c s ASP 214 N -1.51 3.21 -0.25 3.32 1.01 -1.26 -1.64 116.67 119.55 3i2c s ASP 214 Ca 0.22 -0.65 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 3i2c s ASP 214 Cb -0.12 -0.26 0.09 0.00 1.01 0.00 0.00 42.92 43.63 3i2c s ASP 214 CO 0.12 0.23 0.10 -0.54 0.21 0.00 0.00 175.17 175.29 3i2c s LYS 215 N -1.55 0.28 0.34 8.23 -0.14 -0.77 -4.97 119.74 121.17 3i2c s LYS 215 Ca 0.12 -0.48 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 3i2c s LYS 215 Cb -0.10 -1.55 -0.11 0.00 -1.68 0.00 0.00 37.83 34.40 3i2c s LYS 215 CO 0.04 -0.88 1.44 0.21 -0.76 0.00 0.00 175.35 175.39 3i2c s LYS 216 N 2.02 4.20 -0.39 1.68 2.20 -1.26 -1.84 119.74 126.35 3i2c s LYS 216 Ca 0.06 2.44 -0.17 0.00 -0.36 0.00 0.00 55.97 57.94 3i2c s LYS 216 Cb -0.16 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 3i2c s LYS 216 CO -0.25 -0.43 0.42 0.42 -0.36 0.00 0.00 175.35 175.15 3i2c s ILE 217 N -0.91 5.10 -0.15 5.43 -1.09 0.07 -4.95 121.20 124.71 3i2c s ILE 217 Ca 0.53 -0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.76 3i2c s ILE 217 Cb -0.44 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 3i2c s ILE 217 CO 0.57 -0.29 0.03 0.68 -1.23 0.00 0.00 174.94 174.69 3i2c s VAL 218 N 2.13 4.54 0.17 2.92 -7.23 -1.26 -4.75 120.40 116.92 3i2c s VAL 218 Ca 0.13 -0.14 -0.03 0.00 -1.81 0.00 0.00 61.98 60.13 3i2c s VAL 218 Cb -0.17 -2.99 0.26 0.00 0.56 0.00 0.00 36.38 34.04 3i2c s VAL 218 CO 0.13 0.52 0.92 -2.65 -0.31 0.00 0.00 175.10 173.70 3i2c n PRO 219 N 3.04 -0.05 0.00 4.82 -0.02 -1.26 -4.85 135.00 136.69 3i2c n PRO 219 Ca -0.18 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3i2c n PRO 219 Cb 0.53 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3i2c n PRO 219 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i2c n ARG 220 N -4.90 0.00 -3.84 -0.52 1.74 -1.26 -4.72 116.66 103.16 3i2c n ARG 220 Ca 0.11 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.11 3i2c n ARG 220 Cb 0.34 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.75 3i2c n ARG 220 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i2c s ASP 221 N 0.00 -0.25 0.00 0.55 -1.08 -1.26 -4.87 116.67 109.76 3i2c s ASP 221 Ca 0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 3i2c s ASP 221 Cb 0.00 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 42.14 3i2c s ASP 221 CO 0.00 -1.25 0.45 0.00 0.52 0.00 0.00 175.17 174.89