#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghe s VAL 2 N 0.00 4.18 0.04 -0.39 -7.23 -1.26 -4.25 120.40 111.49 3ghe s VAL 2 Ca 0.00 1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 61.97 3ghe s VAL 2 Cb 0.00 -4.27 0.03 0.00 0.56 0.00 0.00 36.38 32.70 3ghe s VAL 2 CO 0.00 0.50 0.38 -1.58 -0.31 0.00 0.00 175.10 174.09 3ghe s GLN 3 N -1.11 0.87 -0.05 4.82 2.00 -0.14 -5.00 119.66 121.04 3ghe s GLN 3 Ca 0.40 -0.37 -0.02 0.00 -2.00 0.00 0.00 55.36 53.37 3ghe s GLN 3 Cb -0.25 0.38 0.03 0.00 0.80 0.00 0.00 33.01 33.98 3ghe s GLN 3 CO 0.30 -0.29 0.10 -0.51 -0.50 0.00 0.00 175.29 174.40 3ghe s LEU 4 N -1.93 0.90 -0.13 3.68 1.43 -1.26 -2.11 118.68 119.27 3ghe s LEU 4 Ca -0.06 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3ghe s LEU 4 Cb -0.01 0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.45 3ghe s LEU 4 CO -0.02 -0.13 -0.02 -0.69 0.23 0.00 0.00 176.35 175.72 3ghe s VAL 5 N 1.07 0.72 0.40 -1.59 1.01 -0.75 -4.04 120.40 117.22 3ghe s VAL 5 Ca -0.09 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3ghe s VAL 5 Cb -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3ghe s VAL 5 CO -0.05 0.13 0.57 0.00 0.00 0.00 0.00 175.10 175.75 3ghe s GLN 6 N 1.81 2.97 0.22 2.72 0.00 -1.26 -1.33 119.66 124.79 3ghe s GLN 6 Ca 0.02 -0.93 -0.22 0.00 -0.00 0.00 0.00 55.36 54.24 3ghe s GLN 6 Cb -0.14 -2.71 0.05 0.00 0.00 0.00 0.00 33.01 30.21 3ghe s GLN 6 CO -0.07 -0.18 0.89 -1.54 0.00 0.00 0.00 175.29 174.39 3ghe s SER 7 N -4.25 -0.14 0.00 12.60 1.04 -0.13 -4.81 113.70 118.01 3ghe s SER 7 Ca 0.49 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.31 3ghe s SER 7 Cb -0.10 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3ghe s SER 7 CO 0.34 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3ghe n GLY 8 N -0.52 0.60 3.71 7.32 0.00 -1.26 -0.32 105.19 114.72 3ghe n GLY 8 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3ghe n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ghe s GLY 9 N -1.81 1.64 0.00 -0.02 0.00 -1.26 -4.42 107.32 101.45 3ghe s GLY 9 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3ghe s GLY 9 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.30 3ghe n GLY 10 N -0.82 -1.31 3.54 0.20 0.00 -0.31 -4.91 105.19 101.58 3ghe n GLY 10 Ca 0.08 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 3ghe n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ghe s LEU 11 N 0.00 3.51 0.28 0.99 2.96 -1.26 -1.32 118.68 123.84 3ghe s LEU 11 Ca 0.00 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3ghe s LEU 11 Cb 0.00 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3ghe s LEU 11 CO 0.00 0.12 0.24 0.68 -1.32 0.00 0.00 176.35 176.07 3ghe s VAL 12 N 0.69 0.00 0.27 1.68 -7.23 -0.52 -5.00 120.40 110.27 3ghe s VAL 12 Ca 0.01 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3ghe s VAL 12 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3ghe s VAL 12 CO 0.02 0.00 0.13 -1.10 -0.31 0.00 0.00 175.10 173.84 3ghe s GLN 13 N -3.69 2.66 0.10 4.82 -0.21 -1.26 -1.53 119.66 120.55 3ghe s GLN 13 Ca 0.39 -1.23 -0.36 0.00 0.02 0.00 0.00 55.36 54.19 3ghe s GLN 13 Cb 0.04 -2.39 -0.17 0.00 1.00 0.00 0.00 33.01 31.49 3ghe s GLN 13 CO 0.22 0.36 1.26 -2.30 -2.12 0.00 0.00 175.29 172.70 3ghe n PRO 14 N -1.08 1.03 0.00 2.91 -0.02 -1.26 -0.22 135.00 136.35 3ghe n PRO 14 Ca -0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ghe n PRO 14 Cb 0.59 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3ghe n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghe n GLY 15 N 2.30 2.04 1.99 -1.23 0.00 0.15 -4.91 105.19 105.53 3ghe n GLY 15 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 3ghe n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghe n GLY 16 N -2.00 -2.39 3.17 -0.02 0.00 0.69 -3.87 105.19 100.76 3ghe n GLY 16 Ca 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 3ghe n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ghe s SER 17 N -3.26 0.20 0.06 1.61 1.04 -1.26 -1.70 113.70 110.39 3ghe s SER 17 Ca 0.40 -0.68 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 3ghe s SER 17 Cb -0.03 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 3ghe s SER 17 CO 0.30 -0.66 0.17 -0.76 0.98 0.00 0.00 173.24 173.28 3ghe s LEU 18 N -2.71 1.47 -0.23 2.42 1.43 -0.60 -5.00 118.68 115.46 3ghe s LEU 18 Ca 0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3ghe s LEU 18 Cb 0.04 0.92 0.06 0.00 0.03 0.00 0.00 46.19 47.24 3ghe s LEU 18 CO -0.09 -0.61 -0.04 -0.60 0.23 0.00 0.00 176.35 175.24 3ghe s ARG 19 N -3.04 1.48 0.08 1.70 3.00 -1.26 0.06 118.95 120.96 3ghe s ARG 19 Ca -0.01 -0.94 -0.17 0.00 -1.00 0.00 0.00 55.73 53.61 3ghe s ARG 19 Cb 0.01 -2.53 -0.06 0.00 0.00 0.00 0.00 34.95 32.37 3ghe s ARG 19 CO -0.06 -0.62 0.52 -0.51 0.00 0.00 0.00 175.30 174.62 3ghe s LEU 20 N 1.45 4.46 0.23 -0.88 1.43 0.18 -4.48 118.68 121.07 3ghe s LEU 20 Ca -0.05 1.12 0.11 0.00 -1.03 0.00 0.00 54.13 54.29 3ghe s LEU 20 Cb -0.19 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3ghe s LEU 20 CO -0.07 0.24 -0.17 -0.44 0.23 0.00 0.00 176.35 176.14 3ghe s SER 21 N -1.29 3.79 -0.21 2.29 0.01 0.56 -1.56 113.70 117.29 3ghe s SER 21 Ca 0.30 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.66 3ghe s SER 21 Cb -0.17 -0.44 0.10 0.00 0.21 0.00 0.00 66.02 65.72 3ghe s SER 21 CO 0.18 0.08 0.45 0.00 0.41 0.00 0.00 173.24 174.35 3ghe s VAL 23 N 2.65 3.87 0.33 0.00 1.01 -0.44 -1.00 120.40 126.81 3ghe s VAL 23 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3ghe s VAL 23 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3ghe s VAL 23 CO -0.14 0.42 0.54 0.00 0.00 0.00 0.00 175.10 175.92 3ghe s ALA 24 N 1.11 3.70 -0.28 5.51 0.00 -0.62 -1.81 121.76 129.36 3ghe s ALA 24 Ca 0.02 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 3ghe s ALA 24 Cb -0.14 -2.12 0.12 0.00 0.00 0.00 0.00 23.12 20.97 3ghe s ALA 24 CO 0.01 0.03 0.95 -1.54 0.00 0.00 0.00 175.76 175.22 3ghe s SER 25 N -3.90 -0.54 0.00 0.00 1.04 -0.89 -4.90 113.70 104.51 3ghe s SER 25 Ca 0.40 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.81 3ghe s SER 25 Cb -0.10 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.09 3ghe s SER 25 CO 0.35 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3ghe n GLY 26 N 2.80 0.93 3.51 7.32 0.00 -1.26 -0.97 105.19 117.51 3ghe n GLY 26 Ca -0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3ghe n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ghe s PHE 27 N -2.00 -0.50 -0.90 1.61 -0.12 -1.26 -4.52 117.98 110.29 3ghe s PHE 27 Ca 0.00 0.64 -0.24 0.00 -0.05 0.00 0.00 56.93 57.27 3ghe s PHE 27 Cb 0.00 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 3ghe s PHE 27 CO 0.00 -0.59 1.92 0.99 -0.05 0.00 0.00 175.22 177.50 3ghe s THR 28 N -2.16 3.47 0.22 -4.49 2.01 -1.26 -4.84 115.64 108.59 3ghe s THR 28 Ca -0.03 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 3ghe s THR 28 Cb -0.01 -4.05 0.26 0.00 0.01 0.00 0.00 72.50 68.72 3ghe s THR 28 CO -0.01 -0.99 1.62 0.15 -0.69 0.00 0.00 174.62 174.70 3ghe h PHE 29 N 11.27 -0.34 0.00 4.92 3.57 -1.96 -1.81 116.94 132.59 3ghe h PHE 29 Ca 0.10 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3ghe h PHE 29 Cb 1.01 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3ghe h PHE 29 CO 1.22 -0.29 0.00 0.27 -2.23 0.00 0.00 178.31 177.28 3ghe n ASN 30 N -5.45 0.13 -0.00 0.41 6.94 -1.26 -2.46 115.26 113.57 3ghe n ASN 30 Ca 0.09 -1.35 0.09 0.00 -0.02 0.00 0.00 54.58 53.38 3ghe n ASN 30 Cb 0.36 -0.06 -0.11 0.00 -2.36 0.00 0.00 39.78 37.60 3ghe n ASN 30 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ghe n ASN 31 N -0.37 0.83 -4.43 0.53 3.02 -0.68 -4.83 115.26 109.34 3ghe n ASN 31 Ca 0.00 -0.67 -0.27 0.00 -0.03 0.00 0.00 54.58 53.60 3ghe n ASN 31 Cb 0.03 1.23 -0.12 0.00 -0.61 0.00 0.00 39.78 40.31 3ghe n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ghe s TYR 32 N -2.84 2.33 0.36 3.10 1.51 -1.03 -4.94 117.35 115.85 3ghe s TYR 32 Ca 0.03 -0.35 -0.25 0.00 -1.01 0.00 0.00 57.07 55.49 3ghe s TYR 32 Cb 0.13 -1.18 -0.09 0.00 -0.11 0.00 0.00 41.96 40.70 3ghe s TYR 32 CO 0.74 0.46 1.00 -1.58 -1.11 0.00 0.00 175.55 175.06 3ghe s TRP 33 N -1.50 3.45 0.01 2.71 0.52 -1.26 -4.33 118.94 118.55 3ghe s TRP 33 Ca 0.19 1.70 0.08 0.00 0.02 0.00 0.00 56.10 58.10 3ghe s TRP 33 Cb -0.09 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.17 3ghe s TRP 33 CO 0.09 -0.26 -0.26 -1.64 0.02 0.00 0.00 176.95 174.90 3ghe s MET 34 N -2.30 1.93 0.32 4.98 -1.94 -1.04 -1.52 119.30 119.73 3ghe s MET 34 Ca 0.54 -0.99 0.05 0.00 -1.71 0.00 0.00 55.69 53.58 3ghe s MET 34 Cb -0.20 -1.97 -0.06 0.00 2.01 0.00 0.00 34.83 34.60 3ghe s MET 34 CO 0.26 0.53 0.02 -1.12 -0.01 0.00 0.00 175.02 174.69 3ghe s SER 35 N -0.88 2.62 -0.11 3.03 0.01 0.65 -1.56 113.70 117.46 3ghe s SER 35 Ca 0.10 -1.32 0.01 0.00 1.31 0.00 0.00 55.95 56.06 3ghe s SER 35 Cb -0.10 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.01 3ghe s SER 35 CO 0.00 -0.51 -0.13 0.26 0.41 0.00 0.00 173.24 173.28 3ghe s TRP 36 N -3.16 1.82 0.01 2.43 0.52 0.11 -0.84 118.94 119.84 3ghe s TRP 36 Ca 0.34 -0.89 0.07 0.00 0.02 0.00 0.00 56.10 55.64 3ghe s TRP 36 Cb 0.07 -1.36 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 3ghe s TRP 36 CO 0.14 -0.50 -0.20 0.08 0.02 0.00 0.00 176.95 176.49 3ghe s VAL 37 N 1.22 1.63 0.27 4.03 1.01 0.81 0.14 120.40 129.51 3ghe s VAL 37 Ca -0.02 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.01 3ghe s VAL 37 Cb -0.14 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3ghe s VAL 37 CO -0.04 0.33 -0.13 0.00 0.00 0.00 0.00 175.10 175.26 3ghe s ARG 38 N -0.83 1.56 -0.20 2.72 1.70 0.16 0.23 118.95 124.29 3ghe s ARG 38 Ca 0.08 -1.74 -0.04 0.00 -0.47 0.00 0.00 55.73 53.55 3ghe s ARG 38 Cb -0.08 -1.39 0.09 0.00 -0.57 0.00 0.00 34.95 33.00 3ghe s ARG 38 CO 0.00 0.18 0.22 -1.14 -1.08 0.00 0.00 175.30 173.48 3ghe s GLN 39 N -3.63 0.18 0.47 3.89 0.74 -0.47 -1.09 119.66 119.75 3ghe s GLN 39 Ca 0.28 0.20 -0.22 0.00 0.05 0.00 0.00 55.36 55.67 3ghe s GLN 39 Cb -0.00 -1.22 -0.08 0.00 1.10 0.00 0.00 33.01 32.81 3ghe s GLN 39 CO 0.12 -0.65 1.09 0.00 -0.55 0.00 0.00 175.29 175.29 3ghe s ALA 40 N 2.32 2.91 -0.20 1.58 0.00 -1.26 -1.06 121.76 126.04 3ghe s ALA 40 Ca 0.07 0.75 -0.42 0.00 0.00 0.00 0.00 51.96 52.35 3ghe s ALA 40 Cb -0.16 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 19.47 3ghe s ALA 40 CO -0.12 -0.45 1.41 -2.30 0.00 0.00 0.00 175.76 174.30 3ghe n PRO 41 N -0.70 0.39 -1.05 0.00 -0.02 -1.26 -0.57 135.00 131.78 3ghe n PRO 41 Ca 0.08 0.14 -0.02 0.00 -2.02 0.00 0.00 63.50 61.69 3ghe n PRO 41 Cb 0.50 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 3ghe n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghe n GLY 42 N 2.98 0.34 1.82 -1.23 0.00 -1.26 -4.99 105.19 102.86 3ghe n GLY 42 Ca 0.25 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3ghe n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ghe n LYS 43 N -0.76 1.36 -1.19 1.61 5.02 0.27 -5.16 118.16 119.30 3ghe n LYS 43 Ca -0.02 -1.84 -0.13 0.00 -2.02 0.00 0.00 58.31 54.30 3ghe n LYS 43 Cb 0.33 0.46 0.09 0.00 -0.02 0.00 0.00 35.03 35.89 3ghe n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ghe n GLY 44 N 1.94 -0.53 3.88 0.72 0.00 -1.26 -4.70 105.19 105.25 3ghe n GLY 44 Ca -0.10 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 3ghe n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghe s LEU 45 N 0.00 3.78 -0.18 0.99 1.43 -1.26 -4.22 118.68 119.21 3ghe s LEU 45 Ca 0.36 1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 54.46 3ghe s LEU 45 Cb -0.01 -3.97 0.08 0.00 0.03 0.00 0.00 46.19 42.32 3ghe s LEU 45 CO 0.24 -0.45 0.39 -0.70 0.23 0.00 0.00 176.35 176.07 3ghe s GLU 46 N -4.09 0.30 0.21 1.70 2.12 -0.25 -4.99 118.70 113.70 3ghe s GLU 46 Ca 0.50 0.95 -0.30 0.00 0.36 0.00 0.00 54.97 56.48 3ghe s GLU 46 Cb -0.10 0.22 -0.09 0.00 0.26 0.00 0.00 34.13 34.41 3ghe s GLU 46 CO 0.35 -0.24 1.41 -0.46 -0.54 0.00 0.00 175.26 175.78 3ghe s TRP 47 N 2.41 3.11 -0.20 5.30 -0.00 -1.26 -0.66 118.94 127.63 3ghe s TRP 47 Ca -0.02 1.04 -0.06 0.00 -0.00 0.00 0.00 56.10 57.06 3ghe s TRP 47 Cb -0.12 -3.75 -0.10 0.00 -0.00 0.00 0.00 33.47 29.50 3ghe s TRP 47 CO -0.12 -2.48 -0.23 0.28 -0.00 0.00 0.00 176.95 174.40 3ghe n VAL 48 N 2.71 1.11 -3.57 5.86 0.31 0.12 -4.67 118.33 120.20 3ghe n VAL 48 Ca 0.08 -0.34 -0.06 0.00 -0.01 0.00 0.00 64.34 64.01 3ghe n VAL 48 Cb 0.41 -1.54 -0.02 0.00 -0.91 0.00 0.00 33.84 31.79 3ghe n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ghe s ALA 49 N -2.38 -1.93 0.25 3.52 0.00 -1.08 -1.68 121.76 118.47 3ghe s ALA 49 Ca -0.27 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3ghe s ALA 49 Cb 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 3ghe s ALA 49 CO 0.39 -0.72 0.45 0.54 0.00 0.00 0.00 175.76 176.42 3ghe s ASN 50 N -2.47 -0.01 -0.07 0.00 2.20 -0.68 0.07 114.94 113.98 3ghe s ASN 50 Ca 0.08 -1.01 -0.06 0.00 -0.94 0.00 0.00 52.86 50.94 3ghe s ASN 50 Cb -0.01 0.58 0.02 0.00 -2.00 0.00 0.00 41.25 39.84 3ghe s ASN 50 CO -0.06 -1.13 0.18 -0.51 -2.94 0.00 0.00 177.10 172.64 3ghe s ILE 51 N -3.95 -0.01 1.09 0.54 2.07 -0.60 -1.97 121.20 118.36 3ghe s ILE 51 Ca 0.24 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.39 3ghe s ILE 51 Cb -0.00 -0.26 0.24 0.00 0.13 0.00 0.00 42.46 42.57 3ghe s ILE 51 CO 0.10 0.01 1.06 -0.75 -1.91 0.00 0.00 174.94 173.45 3ghe s LYS 52 N 0.33 -0.29 0.56 3.50 2.20 0.22 -2.51 119.74 123.75 3ghe s LYS 52 Ca -0.02 0.78 0.33 0.00 -0.36 0.00 0.00 55.97 56.71 3ghe s LYS 52 Cb -0.03 -1.63 1.60 0.00 -1.51 0.00 0.00 37.83 36.26 3ghe s LYS 52 CO -0.01 -3.28 2.09 -0.56 -0.36 0.00 0.00 175.35 173.22 3ghe h GLN 52 N -2.30 0.00 -0.49 4.03 -0.00 -1.88 -2.37 115.11 112.10 3ghe h GLN 52 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.07 3ghe h GLN 52 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 3ghe h GLN 52 CO 0.52 0.06 0.00 -0.40 -0.00 0.00 0.00 178.83 179.02 3ghe n ASP 53 N -3.32 2.73 0.00 0.06 5.75 -1.26 -4.88 116.55 115.63 3ghe n ASP 53 Ca -0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3ghe n ASP 53 Cb 0.24 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3ghe n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ghe n GLY 54 N 1.32 0.26 0.03 6.12 0.00 -0.89 -4.85 105.19 107.18 3ghe n GLY 54 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 3ghe n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ghe n ASN 55 N -0.19 0.76 -4.64 1.61 4.13 -1.26 -4.87 115.26 110.81 3ghe n ASN 55 Ca 0.00 0.41 -0.42 0.00 1.68 0.00 0.00 54.58 56.25 3ghe n ASN 55 Cb 0.09 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.65 3ghe n ASN 55 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3ghe s ASP 56 N -4.45 6.24 -0.02 6.41 1.11 -1.26 -4.90 116.67 119.80 3ghe s ASP 56 Ca -0.06 2.29 0.05 0.00 0.18 0.00 0.00 52.55 55.01 3ghe s ASP 56 Cb 0.01 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 3ghe s ASP 56 CO 0.09 -1.27 -0.17 -0.54 1.18 0.00 0.00 175.17 174.46 3ghe s LYS 57 N 4.86 1.48 0.05 8.23 1.02 -1.26 -0.61 119.74 133.51 3ghe s LYS 57 Ca 0.87 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 56.31 3ghe s LYS 57 Cb -0.37 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.54 3ghe s LYS 57 CO 0.37 0.32 -0.15 0.71 -0.92 0.00 0.00 175.35 175.68 3ghe s TYR 58 N -0.25 1.33 0.09 3.18 1.51 -0.83 -5.01 117.35 117.37 3ghe s TYR 58 Ca 0.03 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3ghe s TYR 58 Cb -0.08 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 3ghe s TYR 58 CO 0.00 0.05 -0.05 0.71 -1.11 0.00 0.00 175.55 175.16 3ghe s TYR 59 N -0.92 0.82 0.33 2.71 1.51 -1.26 -1.69 117.35 118.84 3ghe s TYR 59 Ca 0.02 -0.98 -0.21 0.00 -1.01 0.00 0.00 57.07 54.90 3ghe s TYR 59 Cb -0.08 -0.49 -0.10 0.00 -0.11 0.00 0.00 41.96 41.18 3ghe s TYR 59 CO 0.02 -0.23 0.84 0.54 -1.11 0.00 0.00 175.55 175.61 3ghe s VAL 60 N -3.72 4.45 0.29 0.71 0.11 -0.68 -4.94 120.40 116.63 3ghe s VAL 60 Ca 0.12 1.40 0.05 0.00 -2.93 0.00 0.00 61.98 60.62 3ghe s VAL 60 Cb 0.06 -3.77 0.29 0.00 -1.53 0.00 0.00 36.38 31.43 3ghe s VAL 60 CO -0.05 -0.04 1.76 0.44 -3.33 0.00 0.00 175.10 173.88 3ghe h ASP 61 N 2.69 0.66 0.28 3.54 3.45 -1.96 -2.35 116.42 122.73 3ghe h ASP 61 Ca -0.48 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.09 3ghe h ASP 61 Cb 1.18 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3ghe h ASP 61 CO 0.64 0.21 0.00 -1.54 -1.57 0.00 0.00 179.24 176.98 3ghe n SER 62 N -4.84 0.07 0.00 6.45 3.41 -1.26 -2.71 113.62 114.74 3ghe n SER 62 Ca 0.22 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 3ghe n SER 62 Cb 0.57 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3ghe n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ghe n VAL 63 N -1.58 0.02 -1.82 -3.33 0.24 -0.90 -4.96 118.33 106.01 3ghe n VAL 63 Ca 0.02 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 3ghe n VAL 63 Cb 0.10 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 3ghe n VAL 63 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ghe s LYS 64 N -0.02 4.16 0.00 7.34 1.02 -1.10 -1.33 119.74 129.81 3ghe s LYS 64 Ca 0.00 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.49 3ghe s LYS 64 Cb 0.00 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3ghe s LYS 64 CO 0.00 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 3ghe n GLY 65 N 3.91 3.01 0.12 -3.33 0.00 -1.26 -4.79 105.19 102.84 3ghe n GLY 65 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 3ghe n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghe n ARG 66 N -0.29 0.68 -4.20 1.61 1.74 -0.61 -4.98 116.66 110.62 3ghe n ARG 66 Ca 0.00 0.10 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 3ghe n ARG 66 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 3ghe n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ghe s PHE 67 N -2.49 3.31 -0.16 -1.55 2.99 -0.44 -1.53 117.98 118.11 3ghe s PHE 67 Ca -0.27 0.30 -0.02 0.00 0.00 0.00 0.00 56.93 56.95 3ghe s PHE 67 Cb 0.08 -1.83 0.05 0.00 0.00 0.00 0.00 43.02 41.31 3ghe s PHE 67 CO 0.64 0.56 -0.01 0.99 -0.00 0.00 0.00 175.22 177.40 3ghe s THR 68 N -0.96 0.73 0.13 0.64 2.01 -0.37 -4.84 115.64 112.97 3ghe s THR 68 Ca 0.15 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3ghe s THR 68 Cb -0.12 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 3ghe s THR 68 CO 0.04 0.02 0.47 -0.51 -0.69 0.00 0.00 174.62 173.95 3ghe s ILE 69 N 1.79 5.00 0.15 1.82 2.07 -1.26 -1.46 121.20 129.31 3ghe s ILE 69 Ca 0.01 0.54 -0.20 0.00 -1.41 0.00 0.00 60.65 59.59 3ghe s ILE 69 Cb -0.15 -3.67 0.05 0.00 0.13 0.00 0.00 42.46 38.82 3ghe s ILE 69 CO -0.07 0.20 0.51 -0.94 -1.91 0.00 0.00 174.94 172.73 3ghe s SER 70 N -1.89 -0.41 0.10 4.50 1.04 -1.03 -5.01 113.70 111.00 3ghe s SER 70 Ca 0.37 -0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 3ghe s SER 70 Cb -0.14 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3ghe s SER 70 CO 0.19 -0.93 0.01 0.00 0.98 0.00 0.00 173.24 173.49 3ghe s ARG 71 N -3.78 0.83 -0.33 4.02 1.70 -1.26 -0.33 118.95 119.80 3ghe s ARG 71 Ca 0.02 -1.36 -0.02 0.00 -0.47 0.00 0.00 55.73 53.90 3ghe s ARG 71 Cb 0.00 0.12 0.12 0.00 -0.57 0.00 0.00 34.95 34.62 3ghe s ARG 71 CO -0.12 -0.17 0.17 0.34 -1.08 0.00 0.00 175.30 174.44 3ghe s ASP 72 N -3.02 3.36 0.54 -2.89 3.68 -0.40 -4.99 116.67 112.95 3ghe s ASP 72 Ca 0.17 -1.80 0.36 0.00 2.13 0.00 0.00 52.55 53.41 3ghe s ASP 72 Cb 0.07 -0.47 1.90 0.00 -1.45 0.00 0.00 42.92 42.97 3ghe s ASP 72 CO -0.03 -0.37 2.10 0.78 0.13 0.00 0.00 175.17 177.78 3ghe h ASN 73 N 7.67 0.00 0.46 -0.34 2.35 -1.95 -0.99 115.58 122.77 3ghe h ASN 73 Ca -0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3ghe h ASN 73 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3ghe h ASN 73 CO 0.37 0.00 -0.44 0.00 -1.65 0.00 0.00 177.43 175.71 3ghe h ALA 74 N 2.01 1.25 0.00 -0.83 0.00 -1.95 -3.27 119.26 116.48 3ghe h ALA 74 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3ghe h ALA 74 Cb 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3ghe h ALA 74 CO 0.00 0.55 -0.41 1.63 0.00 0.00 0.00 179.25 181.02 3ghe n LYS 75 N -3.99 1.19 -3.94 0.00 5.02 -0.41 -4.99 118.16 111.04 3ghe n LYS 75 Ca -0.02 -2.76 -0.32 0.00 -2.02 0.00 0.00 58.31 53.20 3ghe n LYS 75 Cb 0.47 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 3ghe n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ghe n ASN 76 N -0.94 -2.98 -4.41 4.39 3.02 -1.01 -4.84 115.26 108.49 3ghe n ASN 76 Ca 0.15 -0.78 -0.31 0.00 -0.03 0.00 0.00 54.58 53.61 3ghe n ASN 76 Cb 0.73 -2.48 -0.14 0.00 -0.61 0.00 0.00 39.78 37.28 3ghe n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ghe s SER 77 N -3.03 3.53 -0.04 6.41 0.01 -1.11 -1.58 113.70 117.88 3ghe s SER 77 Ca 0.62 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.47 3ghe s SER 77 Cb -0.34 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.38 3ghe s SER 77 CO 0.77 0.27 -0.22 -0.22 0.41 0.00 0.00 173.24 174.24 3ghe s LEU 78 N -1.24 2.25 0.18 2.44 2.96 -0.17 -1.27 118.68 123.83 3ghe s LEU 78 Ca 0.13 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3ghe s LEU 78 Cb -0.10 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 3ghe s LEU 78 CO 0.03 0.30 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.92 3ghe s PHE 79 N -0.48 1.44 -0.23 5.38 0.40 0.56 -1.27 117.98 123.78 3ghe s PHE 79 Ca 0.06 -0.77 -0.03 0.00 -0.60 0.00 0.00 56.93 55.58 3ghe s PHE 79 Cb -0.11 -0.76 0.12 0.00 0.51 0.00 0.00 43.02 42.78 3ghe s PHE 79 CO 0.01 0.10 0.32 -1.17 0.70 0.00 0.00 175.22 175.18 3ghe s LEU 80 N -3.24 -0.45 -0.25 -0.37 2.96 -0.60 -2.47 118.68 114.26 3ghe s LEU 80 Ca 0.21 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 54.01 3ghe s LEU 80 Cb 0.03 0.86 -0.02 0.00 0.50 0.00 0.00 46.19 47.56 3ghe s LEU 80 CO 0.04 -0.31 0.57 -1.58 -1.32 0.00 0.00 176.35 173.76 3ghe s GLN 81 N 2.47 4.09 -0.26 1.98 2.00 -0.53 -0.65 119.66 128.76 3ghe s GLN 81 Ca 0.11 0.44 -0.06 0.00 -2.00 0.00 0.00 55.36 53.85 3ghe s GLN 81 Cb -0.15 -3.65 -0.01 0.00 0.80 0.00 0.00 33.01 30.00 3ghe s GLN 81 CO -0.14 -0.37 0.03 -1.64 -0.50 0.00 0.00 175.29 172.67 3ghe s MET 82 N 2.38 3.33 0.29 1.67 -1.94 0.11 -1.24 119.30 123.89 3ghe s MET 82 Ca 0.24 -0.68 0.11 0.00 -1.71 0.00 0.00 55.69 53.64 3ghe s MET 82 Cb -0.16 -3.23 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 3ghe s MET 82 CO 0.09 -0.29 -0.13 -0.80 -0.01 0.00 0.00 175.02 173.88 3ghe s ASN 82 N 1.52 3.86 -1.43 3.03 0.01 -0.58 -1.56 114.94 119.79 3ghe s ASN 82 Ca 0.04 -0.96 -0.05 0.00 -0.71 0.00 0.00 52.86 51.19 3ghe s ASN 82 Cb -0.16 -0.44 0.03 0.00 0.41 0.00 0.00 41.25 41.09 3ghe s ASN 82 CO 0.01 -0.02 0.65 -0.24 -1.51 0.00 0.00 177.10 175.99 3ghe n SER 82 N -0.73 -1.71 -4.75 -1.22 2.88 -1.16 -4.66 113.62 102.26 3ghe n SER 82 Ca -0.05 -0.91 -0.39 0.00 -1.33 0.00 0.00 58.87 56.19 3ghe n SER 82 Cb 0.60 -3.50 0.03 0.00 -0.75 0.00 0.00 64.21 60.60 3ghe n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3ghe n LEU 82 N -4.41 5.43 -4.47 2.46 4.77 -0.69 -4.55 117.00 115.55 3ghe n LEU 82 Ca -0.20 1.04 -0.23 0.00 -0.03 0.00 0.00 56.01 56.58 3ghe n LEU 82 Cb 0.63 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.03 3ghe n LEU 82 CO 0.74 -0.38 -0.38 -0.13 -1.33 0.00 0.00 177.39 175.91 3ghe s ARG 83 N -2.72 1.64 0.24 3.23 0.52 -1.26 0.34 118.95 120.94 3ghe s ARG 83 Ca 0.67 -1.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.00 3ghe s ARG 83 Cb -0.43 -1.38 0.28 0.00 0.52 0.00 0.00 34.95 33.95 3ghe s ARG 83 CO 0.52 0.10 1.89 0.00 0.02 0.00 0.00 175.30 177.83 3ghe h ALA 84 N 2.20 1.22 0.00 2.13 0.00 -1.97 -0.92 119.26 121.92 3ghe h ALA 84 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ghe h ALA 84 Cb 1.24 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ghe h ALA 84 CO 0.68 0.49 0.00 -0.85 0.00 0.00 0.00 179.25 179.56 3ghe n GLU 85 N -4.49 0.26 0.00 0.00 0.00 -1.26 -1.62 120.64 113.53 3ghe n GLU 85 Ca 0.12 0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.53 3ghe n GLU 85 Cb 0.08 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 30.50 3ghe n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ghe n ASP 86 N -1.23 0.88 -4.67 -1.84 8.00 -0.35 -4.88 116.55 112.46 3ghe n ASP 86 Ca 0.08 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 3ghe n ASP 86 Cb 0.10 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3ghe n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ghe s THR 87 N -2.43 3.05 -0.10 -3.53 2.01 -0.64 -4.91 115.64 109.10 3ghe s THR 87 Ca 0.28 0.16 -0.32 0.00 0.31 0.00 0.00 61.69 62.12 3ghe s THR 87 Cb 0.20 -3.11 0.13 0.00 0.01 0.00 0.00 72.50 69.73 3ghe s THR 87 CO 0.48 -0.01 1.41 0.00 -0.69 0.00 0.00 174.62 175.82 3ghe s ALA 88 N 4.09 -2.68 -0.09 7.40 0.00 -0.45 -4.41 121.76 125.63 3ghe s ALA 88 Ca 0.84 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 3ghe s ALA 88 Cb -0.41 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3ghe s ALA 88 CO 0.38 -1.12 0.43 0.08 0.00 0.00 0.00 175.76 175.54 3ghe s VAL 89 N -2.00 5.15 -0.20 0.00 1.01 -0.23 -0.96 120.40 123.17 3ghe s VAL 89 Ca 0.24 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 3ghe s VAL 89 Cb 0.04 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3ghe s VAL 89 CO -0.05 0.41 0.03 -0.31 0.00 0.00 0.00 175.10 175.18 3ghe s TYR 90 N 0.11 3.10 0.00 5.22 1.51 0.13 -1.37 117.35 126.06 3ghe s TYR 90 Ca 0.24 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 3ghe s TYR 90 Cb -0.15 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3ghe s TYR 90 CO 0.10 -0.15 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.26 3ghe s PHE 91 N 0.95 2.89 -0.12 2.71 0.40 0.14 -1.33 117.98 123.61 3ghe s PHE 91 Ca 0.02 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 3ghe s PHE 91 Cb -0.14 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 3ghe s PHE 91 CO 0.02 0.37 -0.03 0.00 0.70 0.00 0.00 175.22 176.29 3ghe s ALA 93 N -0.19 1.43 -0.15 0.00 0.00 -0.02 -2.44 121.76 120.40 3ghe s ALA 93 Ca 0.04 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.38 3ghe s ALA 93 Cb -0.13 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3ghe s ALA 93 CO 0.02 -0.18 0.14 0.50 0.00 0.00 0.00 175.76 176.24 3ghe s ARG 94 N -3.81 3.68 -0.20 0.00 3.52 -0.59 -0.25 118.95 121.30 3ghe s ARG 94 Ca 0.19 -0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.52 3ghe s ARG 94 Cb 0.04 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 3ghe s ARG 94 CO 0.02 0.63 0.21 -1.21 -0.81 0.00 0.00 175.30 174.13 3ghe s GLU 95 N -0.58 4.19 0.12 5.12 2.02 -0.57 -2.20 118.70 126.80 3ghe s GLU 95 Ca 0.13 -0.10 0.08 0.00 0.02 0.00 0.00 54.97 55.10 3ghe s GLU 95 Cb -0.12 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3ghe s GLU 95 CO 0.02 0.21 -0.12 -0.59 0.02 0.00 0.00 175.26 174.80 3ghe s PHE 96 N 0.60 2.66 -0.21 1.61 -0.12 0.57 -4.03 117.98 119.06 3ghe s PHE 96 Ca 0.11 -0.20 -0.19 0.00 -0.05 0.00 0.00 56.93 56.61 3ghe s PHE 96 Cb -0.12 -1.38 -0.03 0.00 -0.63 0.00 0.00 43.02 40.86 3ghe s PHE 96 CO 0.02 0.43 0.55 0.45 -0.05 0.00 0.00 175.22 176.63 3ghe s SER 97 N -2.33 6.58 -0.57 1.98 0.15 -1.26 -2.13 113.70 116.12 3ghe s SER 97 Ca 0.21 0.70 -0.11 0.00 0.70 0.00 0.00 55.95 57.44 3ghe s SER 97 Cb -0.10 -2.31 0.14 0.00 -1.71 0.00 0.00 66.02 62.04 3ghe s SER 97 CO 0.13 -0.23 0.47 -0.55 1.20 0.00 0.00 173.24 174.26 3ghe s SER 98 N 1.24 5.98 -0.25 5.45 0.15 -1.26 -5.04 113.70 119.98 3ghe s SER 98 Ca 0.25 -2.11 -0.15 0.00 0.70 0.00 0.00 55.95 54.64 3ghe s SER 98 Cb -0.16 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3ghe s SER 98 CO 0.10 -0.69 0.39 -0.47 1.20 0.00 0.00 173.24 173.76 3ghe s TYR 99 N 1.08 3.29 -0.23 3.44 5.04 -1.26 -4.33 117.35 124.38 3ghe s TYR 99 Ca 0.08 0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 55.18 3ghe s TYR 99 Cb -0.24 -2.56 0.07 0.00 0.35 0.00 0.00 41.96 39.58 3ghe s TYR 99 CO -0.01 -0.15 0.03 -0.08 -1.34 0.00 0.00 175.55 174.00 3ghe s THR 100 N 1.82 0.77 -0.25 4.34 -1.32 -0.75 -5.01 115.64 115.23 3ghe s THR 100 Ca 0.17 -0.86 -0.08 0.00 -1.21 0.00 0.00 61.69 59.71 3ghe s THR 100 Cb -0.15 -1.30 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 3ghe s THR 100 CO 0.09 -0.30 0.08 -0.62 -2.21 0.00 0.00 174.62 171.66 3ghe s ASP 100 N 1.73 5.24 -0.45 8.08 2.15 -1.26 -0.49 116.67 131.67 3ghe s ASP 100 Ca 0.01 -0.18 0.04 0.00 0.43 0.00 0.00 52.55 52.85 3ghe s ASP 100 Cb -0.17 -1.94 0.44 0.00 -0.30 0.00 0.00 42.92 40.94 3ghe s ASP 100 CO -0.12 -0.03 1.42 1.41 -0.17 0.00 0.00 175.17 177.69 3ghe n HIS 100 N 4.90 3.00 0.00 -5.34 8.25 -1.26 -5.03 115.22 119.74 3ghe n HIS 100 Ca -0.16 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.72 3ghe n HIS 100 Cb 0.51 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.03 3ghe n HIS 100 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ghe n LEU 100 N -0.70 0.00 0.29 2.41 4.77 -1.26 -5.16 117.00 117.36 3ghe n LEU 100 Ca 0.48 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.61 3ghe n LEU 100 Cb 0.78 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.70 3ghe n LEU 100 CO 0.48 0.00 1.06 -0.33 -1.33 0.00 0.00 177.39 177.27 3ghe h GLU 100 N 0.00 0.00 -3.99 3.23 3.07 -2.03 -3.56 114.58 111.29 3ghe h GLU 100 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 3ghe h GLU 100 Cb 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 27.59 3ghe h GLU 100 CO 0.00 0.00 -0.76 0.71 -1.40 0.00 0.00 179.01 177.56 3ghe s TYR 100 N -3.93 0.51 -0.05 4.33 1.51 0.35 -5.26 117.35 114.82 3ghe s TYR 100 Ca -0.03 -0.10 0.04 0.00 -1.01 0.00 0.00 57.07 55.97 3ghe s TYR 100 Cb 0.09 -0.47 -0.00 0.00 -0.11 0.00 0.00 41.96 41.47 3ghe s TYR 100 CO 0.28 -0.12 -0.17 0.34 -1.11 0.00 0.00 175.55 174.77 3ghe s ASP 100 N 0.66 2.23 0.00 2.29 2.15 -1.26 -1.82 116.67 120.92 3ghe s ASP 100 Ca -0.08 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.53 3ghe s ASP 100 Cb -0.11 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.79 3ghe s ASP 100 CO -0.01 0.14 0.00 -1.22 -0.17 0.00 0.00 175.17 173.91 3ghe n TYR 100 N 3.28 0.00 -3.00 -5.34 4.02 -0.91 -4.92 117.16 110.29 3ghe n TYR 100 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.28 3ghe n TYR 100 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 3ghe n TYR 100 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 3ghe s MET 100 N -2.00 3.58 -0.02 -0.72 -1.94 -1.26 -0.32 119.30 116.63 3ghe s MET 100 Ca 0.00 0.07 0.18 0.00 -1.71 0.00 0.00 55.69 54.22 3ghe s MET 100 Cb 0.00 -3.87 -0.26 0.00 2.01 0.00 0.00 34.83 32.71 3ghe s MET 100 CO 0.00 -0.94 0.42 -0.40 -0.01 0.00 0.00 175.02 174.09 3ghe n ASP 101 N 6.45 0.97 -4.13 3.03 3.85 -0.93 -4.93 116.55 120.86 3ghe n ASP 101 Ca 0.02 -0.09 -0.28 0.00 -0.71 0.00 0.00 54.79 53.73 3ghe n ASP 101 Cb 0.48 1.72 -0.17 0.00 -1.35 0.00 0.00 41.12 41.81 3ghe n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3ghe s VAL 102 N -3.15 1.54 0.06 2.12 1.01 -1.26 -5.00 120.40 115.72 3ghe s VAL 102 Ca -0.05 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3ghe s VAL 102 Cb 0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3ghe s VAL 102 CO 0.73 0.44 -0.15 0.26 0.00 0.00 0.00 175.10 176.38 3ghe s TRP 103 N 0.35 1.27 0.49 5.22 0.52 -1.26 -1.54 118.94 123.98 3ghe s TRP 103 Ca -0.12 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.53 3ghe s TRP 103 Cb -0.15 -0.73 0.11 0.00 -1.15 0.00 0.00 33.47 31.54 3ghe s TRP 103 CO 0.05 0.06 0.67 0.41 0.02 0.00 0.00 176.95 178.15 3ghe n GLY 104 N 1.59 -0.66 0.18 0.98 0.00 -1.02 -4.62 105.19 101.64 3ghe n GLY 104 Ca -0.19 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.15 3ghe n GLY 104 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ghe h LYS 105 N 0.00 0.00 0.00 1.61 2.10 -1.93 -3.46 116.57 114.89 3ghe h LYS 105 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 3ghe h LYS 105 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 3ghe h LYS 105 CO 0.17 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.03 3ghe n GLY 106 N 1.14 1.40 3.21 0.07 0.00 -1.26 -5.00 105.19 104.76 3ghe n GLY 106 Ca 0.03 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 3ghe n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ghe s THR 107 N -2.29 1.55 -0.01 2.61 -1.32 -0.44 -4.89 115.64 110.85 3ghe s THR 107 Ca 0.00 -0.98 -0.21 0.00 -1.21 0.00 0.00 61.69 59.29 3ghe s THR 107 Cb 0.00 -1.32 -0.05 0.00 -1.51 0.00 0.00 72.50 69.62 3ghe s THR 107 CO 0.00 0.31 0.61 -0.89 -2.21 0.00 0.00 174.62 172.44 3ghe s THR 108 N -0.62 4.92 -0.15 5.08 2.01 -1.26 0.23 115.64 125.85 3ghe s THR 108 Ca 0.07 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.34 3ghe s THR 108 Cb -0.08 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.51 3ghe s THR 108 CO 0.00 0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.50 3ghe s VAL 109 N -0.07 1.59 -0.13 3.82 1.01 -0.13 -1.16 120.40 125.32 3ghe s VAL 109 Ca 0.32 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3ghe s VAL 109 Cb -0.18 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3ghe s VAL 109 CO 0.17 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.62 3ghe s THR 110 N 1.46 2.04 -0.25 3.92 2.01 -0.44 -1.34 115.64 123.04 3ghe s THR 110 Ca 0.04 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3ghe s THR 110 Cb -0.13 -1.79 0.06 0.00 0.01 0.00 0.00 72.50 70.64 3ghe s THR 110 CO -0.10 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 3ghe s VAL 111 N 0.71 2.03 0.00 3.82 1.01 -1.26 -1.45 120.40 125.26 3ghe s VAL 111 Ca -0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.35 3ghe s VAL 111 Cb -0.16 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 3ghe s VAL 111 CO 0.01 0.01 0.07 -0.55 0.00 0.00 0.00 175.10 174.64 3ghe s SER 112 N 1.18 0.07 0.00 3.32 0.15 -0.58 -4.31 113.70 113.53 3ghe s SER 112 Ca -0.07 -0.22 0.28 0.00 0.70 0.00 0.00 55.95 56.63 3ghe s SER 112 Cb -0.19 0.17 1.04 0.00 -1.71 0.00 0.00 66.02 65.33 3ghe s SER 112 CO -0.06 -0.27 1.74 -1.54 1.20 0.00 0.00 173.24 174.31 3ghe n SER 113 N 1.84 1.51 -4.78 5.45 3.41 -1.26 -4.02 113.62 115.76 3ghe n SER 113 Ca -0.21 -1.51 -0.33 0.00 -0.26 0.00 0.00 58.87 56.56 3ghe n SER 113 Cb 0.56 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 3ghe n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ghe s ALA 114 N -1.99 2.55 0.21 7.33 0.00 -1.26 -5.05 121.76 123.54 3ghe s ALA 114 Ca 0.38 0.51 0.11 0.00 0.00 0.00 0.00 51.96 52.95 3ghe s ALA 114 Cb 0.21 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3ghe s ALA 114 CO 0.33 -1.14 -0.18 -1.12 0.00 0.00 0.00 175.76 173.65 3ghe s SER 115 N -2.63 3.72 0.14 0.00 0.01 -1.26 -5.02 113.70 108.66 3ghe s SER 115 Ca 0.66 -0.81 -0.35 0.00 1.31 0.00 0.00 55.95 56.76 3ghe s SER 115 Cb -0.19 -0.41 -0.15 0.00 0.21 0.00 0.00 66.02 65.48 3ghe s SER 115 CO 0.40 0.10 1.43 0.41 0.41 0.00 0.00 173.24 175.99 3ghe n THR 116 N -0.00 0.18 -3.65 1.44 -1.04 -1.26 -4.60 114.28 105.34 3ghe n THR 116 Ca -0.10 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.78 3ghe n THR 116 Cb 0.57 -1.20 -0.08 0.00 -1.82 0.00 0.00 70.33 67.79 3ghe n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3ghe s LYS 117 N 0.49 0.64 0.78 -2.82 2.20 0.26 -4.93 119.74 116.35 3ghe s LYS 117 Ca 0.79 1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 57.39 3ghe s LYS 117 Cb -0.79 0.12 0.06 0.00 -1.51 0.00 0.00 37.83 35.70 3ghe s LYS 117 CO 0.44 -0.15 1.09 0.20 -0.36 0.00 0.00 175.35 176.57 3ghe s GLY 118 N 1.48 1.67 0.48 5.54 0.00 -1.26 -1.42 107.32 113.81 3ghe s GLY 118 Ca -0.09 0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 3ghe s GLY 118 CO -0.17 0.58 0.78 2.56 0.00 0.00 0.00 173.10 176.85 3ghe s PRO 119 N -4.92 3.47 -0.22 2.90 0.04 -1.26 -4.55 135.00 130.46 3ghe s PRO 119 Ca 0.61 0.12 -0.07 0.00 0.04 0.00 0.00 61.00 61.70 3ghe s PRO 119 Cb -0.17 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 3ghe s PRO 119 CO 0.56 -0.23 0.07 -1.12 0.04 0.00 0.00 177.00 176.33 3ghe s SER 120 N -4.12 5.34 -0.35 6.66 0.01 -0.17 -4.91 113.70 116.16 3ghe s SER 120 Ca 0.47 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.53 3ghe s SER 120 Cb -0.10 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.20 3ghe s SER 120 CO 0.44 0.04 0.19 -0.69 0.41 0.00 0.00 173.24 173.64 3ghe s VAL 121 N 1.14 4.65 -0.08 3.43 1.01 -1.26 -0.46 120.40 128.83 3ghe s VAL 121 Ca 0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3ghe s VAL 121 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3ghe s VAL 121 CO 0.03 -0.12 -0.02 -0.36 0.00 0.00 0.00 175.10 174.64 3ghe s PHE 122 N 1.59 3.10 0.26 5.22 0.08 -0.00 -4.93 117.98 123.30 3ghe s PHE 122 Ca 0.03 0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 3ghe s PHE 122 Cb -0.18 -1.76 -0.09 0.00 -0.57 0.00 0.00 43.02 40.41 3ghe s PHE 122 CO 0.07 0.44 0.87 -1.25 -0.10 0.00 0.00 175.22 175.25 3ghe s PRO 123 N -0.91 4.57 -0.75 0.24 0.04 -1.26 0.31 135.00 137.24 3ghe s PRO 123 Ca 0.13 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 3ghe s PRO 123 Cb -0.11 -2.98 0.19 0.00 0.04 0.00 0.00 34.50 31.64 3ghe s PRO 123 CO 0.03 0.39 0.62 -0.51 0.04 0.00 0.00 177.00 177.57 3ghe s LEU 124 N -1.73 5.82 0.37 -3.56 1.43 0.13 -4.85 118.68 116.29 3ghe s LEU 124 Ca 0.45 -2.95 -0.28 0.00 -1.03 0.00 0.00 54.13 50.32 3ghe s LEU 124 Cb -0.20 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 43.91 3ghe s LEU 124 CO 0.25 -0.41 1.51 0.00 0.23 0.00 0.00 176.35 177.93 3ghe n ALA 125 N 3.45 2.45 -1.00 4.21 0.00 -1.26 -1.61 120.51 126.75 3ghe n ALA 125 Ca 0.12 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3ghe n ALA 125 Cb 0.41 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3ghe n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ghe n PRO 126 N 0.55 1.59 0.00 0.00 -0.04 -1.26 -4.89 135.00 130.96 3ghe n PRO 126 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3ghe n PRO 126 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 3ghe n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ghe n GLY 134 N 2.84 0.53 3.90 0.55 0.00 -1.26 -4.93 105.19 106.82 3ghe n GLY 134 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 3ghe n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghe s THR 135 N 0.00 2.35 0.03 2.61 -4.23 -1.26 -1.30 115.64 113.84 3ghe s THR 135 Ca 0.00 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3ghe s THR 135 Cb 0.00 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 3ghe s THR 135 CO 0.00 0.00 -0.02 0.00 -0.54 0.00 0.00 174.62 174.06 3ghe s ALA 136 N -2.57 0.18 -0.09 3.99 0.00 0.18 -4.62 121.76 118.83 3ghe s ALA 136 Ca 0.46 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3ghe s ALA 136 Cb -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3ghe s ALA 136 CO 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 175.76 175.76 3ghe s ALA 137 N -1.96 2.95 0.06 0.00 0.00 -1.26 -0.34 121.76 121.21 3ghe s ALA 137 Ca -0.11 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 3ghe s ALA 137 Cb -0.06 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.80 3ghe s ALA 137 CO -0.03 0.48 0.35 -0.48 0.00 0.00 0.00 175.76 176.09 3ghe s LEU 138 N -0.50 0.66 0.00 0.00 0.05 -0.73 -3.98 118.68 114.18 3ghe s LEU 138 Ca 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.09 3ghe s LEU 138 Cb -0.12 1.55 0.00 0.00 -2.05 0.00 0.00 46.19 45.58 3ghe s LEU 138 CO 0.02 -0.67 0.00 0.61 -0.55 0.00 0.00 176.35 175.76 3ghe n GLY 139 N 0.40 2.24 2.89 -3.48 0.00 -0.63 -0.58 105.19 106.03 3ghe n GLY 139 Ca -0.18 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 3ghe n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghe s LEU 141 N 0.31 4.22 -0.64 0.00 2.96 0.15 -1.81 118.68 123.87 3ghe s LEU 141 Ca -0.03 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.49 3ghe s LEU 141 Cb -0.06 -2.10 0.16 0.00 0.50 0.00 0.00 46.19 44.69 3ghe s LEU 141 CO -0.01 -0.15 0.56 -0.69 -1.32 0.00 0.00 176.35 174.75 3ghe s VAL 142 N 1.72 5.05 0.06 1.68 1.01 -0.29 -0.82 120.40 128.81 3ghe s VAL 142 Ca 0.06 -2.02 -0.07 0.00 0.00 0.00 0.00 61.98 59.96 3ghe s VAL 142 Cb -0.17 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3ghe s VAL 142 CO 0.10 -0.91 0.32 -0.75 0.00 0.00 0.00 175.10 173.86 3ghe s LYS 143 N 0.90 3.62 -0.75 2.72 2.20 0.39 -1.90 119.74 126.92 3ghe s LYS 143 Ca 0.10 -0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 3ghe s LYS 143 Cb -0.21 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 3ghe s LYS 143 CO -0.02 0.59 0.62 -0.25 -0.36 0.00 0.00 175.35 175.92 3ghe n ASP 144 N 0.80 -5.08 -4.33 1.43 8.00 -0.86 -1.00 116.55 115.51 3ghe n ASP 144 Ca -0.08 -0.78 -0.22 0.00 0.71 0.00 0.00 54.79 54.42 3ghe n ASP 144 Cb 0.52 -1.80 -0.11 0.00 -0.02 0.00 0.00 41.12 39.71 3ghe n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ghe s TYR 145 N -2.70 1.83 -0.21 1.24 -0.85 -0.38 -4.40 117.35 111.88 3ghe s TYR 145 Ca 0.08 -0.46 -0.16 0.00 -0.52 0.00 0.00 57.07 56.01 3ghe s TYR 145 Cb -0.01 -0.93 0.06 0.00 0.38 0.00 0.00 41.96 41.47 3ghe s TYR 145 CO 0.89 0.32 0.54 0.12 -1.52 0.00 0.00 175.55 175.89 3ghe s PHE 146 N -1.92 -0.69 0.00 -3.49 5.36 -0.51 -0.77 117.98 115.96 3ghe s PHE 146 Ca 0.15 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 3ghe s PHE 146 Cb -0.06 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.92 3ghe s PHE 146 CO 0.06 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.13 3ghe n PRO 147 N 3.46 1.46 -1.18 10.12 -0.04 -1.26 -0.57 135.00 146.98 3ghe n PRO 147 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.98 3ghe n PRO 147 Cb 0.56 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.14 3ghe n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ghe s GLU 148 N -0.84 1.71 0.42 0.54 0.41 -1.26 -4.82 118.70 114.85 3ghe s GLU 148 Ca 0.00 1.05 0.03 0.00 -0.41 0.00 0.00 54.97 55.64 3ghe s GLU 148 Cb 0.00 -1.84 0.03 0.00 -1.78 0.00 0.00 34.13 30.53 3ghe s GLU 148 CO 0.00 -1.99 0.21 -0.35 -0.49 0.00 0.00 175.26 172.64 3ghe n PRO 149 N -3.74 0.92 -3.99 0.39 -0.04 -1.26 -4.90 135.00 122.38 3ghe n PRO 149 Ca 0.08 -2.75 -0.10 0.00 -0.04 0.00 0.00 63.50 60.69 3ghe n PRO 149 Cb 0.54 0.45 -0.11 0.00 -0.04 0.00 0.00 33.50 34.34 3ghe n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ghe s VAL 150 N -2.23 0.17 0.08 0.52 -7.23 -1.26 -4.45 120.40 105.99 3ghe s VAL 150 Ca 0.16 -0.86 0.09 0.00 -1.81 0.00 0.00 61.98 59.56 3ghe s VAL 150 Cb -0.01 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 3ghe s VAL 150 CO 0.10 -0.44 -0.23 0.42 -0.31 0.00 0.00 175.10 174.64 3ghe s THR 151 N -1.33 2.49 -0.01 5.32 -4.23 -0.67 -4.97 115.64 112.24 3ghe s THR 151 Ca -0.14 -1.44 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3ghe s THR 151 Cb -0.09 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 3ghe s THR 151 CO -0.01 0.25 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.52 3ghe s VAL 152 N -0.96 0.83 0.18 2.29 1.01 -1.26 -1.62 120.40 120.87 3ghe s VAL 152 Ca 0.14 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3ghe s VAL 152 Cb -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3ghe s VAL 152 CO 0.05 0.22 0.23 -0.94 0.00 0.00 0.00 175.10 174.66 3ghe s SER 153 N -0.28 0.10 0.07 3.32 1.04 -0.91 -4.97 113.70 112.08 3ghe s SER 153 Ca 0.04 -1.11 0.09 0.00 0.48 0.00 0.00 55.95 55.45 3ghe s SER 153 Cb -0.04 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3ghe s SER 153 CO -0.00 -0.89 -0.24 0.26 0.98 0.00 0.00 173.24 173.35 3ghe s TRP 154 N -4.05 2.09 -1.61 5.02 0.52 -1.26 -0.37 118.94 119.28 3ghe s TRP 154 Ca 0.26 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.92 3ghe s TRP 154 Cb 0.05 -1.20 0.07 0.00 -1.15 0.00 0.00 33.47 31.23 3ghe s TRP 154 CO 0.06 0.18 0.17 0.09 0.02 0.00 0.00 176.95 177.46 3ghe n ASN 155 N 1.47 0.17 -2.80 2.95 3.02 0.46 0.71 115.26 121.23 3ghe n ASN 155 Ca -0.18 -1.25 -0.19 0.00 -0.03 0.00 0.00 54.58 52.94 3ghe n ASN 155 Cb 0.53 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3ghe n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ghe n SER 156 N -2.70 -4.79 0.00 6.41 7.64 -1.26 -1.93 113.62 116.99 3ghe n SER 156 Ca -0.20 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.58 3ghe n SER 156 Cb 0.62 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 3ghe n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ghe n GLY 157 N -1.12 3.03 0.20 0.23 0.00 0.22 -4.94 105.19 102.82 3ghe n GLY 157 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3ghe n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghe h ALA 158 N 0.00 1.00 -3.70 4.61 0.00 -1.30 -3.37 119.26 116.50 3ghe h ALA 158 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3ghe h ALA 158 Cb 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.42 3ghe h ALA 158 CO 0.00 0.00 -0.80 -1.17 0.00 0.00 0.00 179.25 177.28 3ghe s LEU 159 N -4.84 3.04 0.00 0.00 2.96 -1.20 -4.93 118.68 113.70 3ghe s LEU 159 Ca -0.03 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 52.65 3ghe s LEU 159 Cb 0.08 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.32 3ghe s LEU 159 CO 0.24 -0.17 0.00 0.35 -1.32 0.00 0.00 176.35 175.45 3ghe n THR 160 N 4.52 0.00 -3.46 3.68 -2.24 -1.26 -4.12 114.28 111.40 3ghe n THR 160 Ca -0.14 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.22 3ghe n THR 160 Cb 0.44 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3ghe n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ghe s SER 161 N -1.30 6.82 -0.74 3.42 0.01 -1.26 -4.04 113.70 116.61 3ghe s SER 161 Ca 0.00 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.25 3ghe s SER 161 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3ghe s SER 161 CO 0.00 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.51 3ghe n GLY 162 N 1.44 0.28 3.57 3.44 0.00 -1.26 -4.76 105.19 107.88 3ghe n GLY 162 Ca -0.11 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 3ghe n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghe s VAL 163 N -2.38 3.98 -0.20 1.61 1.01 -1.26 -1.39 120.40 121.78 3ghe s VAL 163 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3ghe s VAL 163 Cb 0.00 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.75 3ghe s VAL 163 CO 0.00 0.54 0.13 -2.28 0.00 0.00 0.00 175.10 173.49 3ghe s HIS 164 N -0.22 0.11 -0.32 5.22 2.46 0.95 -5.00 115.29 118.48 3ghe s HIS 164 Ca 0.04 -0.29 -0.12 0.00 0.47 0.00 0.00 55.06 55.16 3ghe s HIS 164 Cb -0.13 -0.65 -0.03 0.00 -0.13 0.00 0.00 32.58 31.64 3ghe s HIS 164 CO 0.02 -0.58 0.24 0.99 -2.47 0.00 0.00 174.74 172.94 3ghe s THR 165 N 2.17 5.28 0.23 0.89 2.01 -1.26 -0.77 115.64 124.20 3ghe s THR 165 Ca 0.04 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 3ghe s THR 165 Cb -0.16 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 3ghe s THR 165 CO -0.14 0.07 0.88 -0.36 -0.69 0.00 0.00 174.62 174.37 3ghe s PHE 166 N 1.76 3.88 0.43 4.92 0.40 0.01 -4.99 117.98 124.40 3ghe s PHE 166 Ca 0.07 1.77 -0.24 0.00 -0.60 0.00 0.00 56.93 57.93 3ghe s PHE 166 Cb -0.17 -2.88 -0.10 0.00 0.51 0.00 0.00 43.02 40.38 3ghe s PHE 166 CO 0.11 0.42 1.16 -2.30 0.70 0.00 0.00 175.22 175.31 3ghe n PRO 167 N 1.28 1.64 -1.47 0.24 -0.02 -1.26 -4.25 135.00 131.16 3ghe n PRO 167 Ca -0.02 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 3ghe n PRO 167 Cb 0.48 -2.25 0.07 0.00 -0.02 0.00 0.00 33.50 31.78 3ghe n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ghe s ALA 168 N -1.24 2.46 -0.12 3.55 0.00 -1.26 -4.81 121.76 120.32 3ghe s ALA 168 Ca 0.63 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 3ghe s ALA 168 Cb -0.52 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3ghe s ALA 168 CO 0.56 -1.46 -0.02 0.54 0.00 0.00 0.00 175.76 175.38 3ghe s VAL 169 N -2.86 4.12 -0.24 0.00 0.11 0.94 -4.92 120.40 117.56 3ghe s VAL 169 Ca 0.61 -0.29 -0.21 0.00 -2.93 0.00 0.00 61.98 59.15 3ghe s VAL 169 Cb -0.16 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.89 3ghe s VAL 169 CO 0.53 0.54 0.66 -0.22 -3.33 0.00 0.00 175.10 173.28 3ghe s LEU 170 N -0.20 4.09 0.55 2.54 2.96 -1.26 -2.41 118.68 124.94 3ghe s LEU 170 Ca 0.05 0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 54.72 3ghe s LEU 170 Cb -0.13 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.65 3ghe s LEU 170 CO 0.02 -0.37 0.82 -1.10 -1.32 0.00 0.00 176.35 174.41 3ghe s GLN 171 N 2.39 2.92 0.58 1.98 -0.21 -0.56 -4.96 119.66 121.81 3ghe s GLN 171 Ca 0.28 -0.22 0.28 0.00 0.02 0.00 0.00 55.36 55.72 3ghe s GLN 171 Cb -0.16 -2.38 1.70 0.00 1.00 0.00 0.00 33.01 33.18 3ghe s GLN 171 CO 0.09 -0.58 2.18 0.77 -2.12 0.00 0.00 175.29 175.64 3ghe h SER 172 N 0.02 0.00 0.76 5.90 0.02 -1.97 0.75 113.55 119.03 3ghe h SER 172 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3ghe h SER 172 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ghe h SER 172 CO 0.59 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 3ghe n SER 173 N -3.91 0.19 0.00 3.07 3.41 -1.26 -4.87 113.62 110.25 3ghe n SER 173 Ca -0.01 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3ghe n SER 173 Cb 0.18 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3ghe n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ghe n GLY 174 N 0.50 0.83 3.88 5.00 0.00 0.26 -4.84 105.19 110.81 3ghe n GLY 174 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3ghe n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghe s LEU 175 N 0.00 4.20 0.38 0.99 1.43 -1.26 -4.83 118.68 119.59 3ghe s LEU 175 Ca 0.00 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3ghe s LEU 175 Cb 0.00 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3ghe s LEU 175 CO 0.00 0.17 0.57 -0.31 0.23 0.00 0.00 176.35 177.01 3ghe s TYR 176 N -1.47 3.27 -0.09 0.29 1.51 0.05 -1.50 117.35 119.40 3ghe s TYR 176 Ca 0.33 0.12 -0.22 0.00 -1.01 0.00 0.00 57.07 56.29 3ghe s TYR 176 Cb -0.13 -2.09 0.05 0.00 -0.11 0.00 0.00 41.96 39.68 3ghe s TYR 176 CO 0.26 -0.11 0.52 -1.12 -1.11 0.00 0.00 175.55 173.99 3ghe s SER 177 N -4.15 -0.48 0.23 2.29 0.01 -1.01 -1.25 113.70 109.34 3ghe s SER 177 Ca 0.45 0.63 -0.10 0.00 1.31 0.00 0.00 55.95 58.24 3ghe s SER 177 Cb -0.10 0.65 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 3ghe s SER 177 CO 0.35 -0.42 0.38 -1.48 0.41 0.00 0.00 173.24 172.48 3ghe s LEU 178 N -0.77 0.55 0.00 2.44 0.05 -0.80 -0.04 118.68 120.12 3ghe s LEU 178 Ca -0.08 -1.04 0.01 0.00 0.05 0.00 0.00 54.13 53.06 3ghe s LEU 178 Cb -0.03 1.39 -0.01 0.00 -2.05 0.00 0.00 46.19 45.50 3ghe s LEU 178 CO 0.05 -1.05 -0.04 -0.44 -0.55 0.00 0.00 176.35 174.32 3ghe s SER 179 N -3.05 0.41 -0.13 1.48 0.01 -1.26 -1.14 113.70 110.02 3ghe s SER 179 Ca 0.26 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.42 3ghe s SER 179 Cb 0.01 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.23 3ghe s SER 179 CO 0.09 -0.00 -0.20 -0.55 0.41 0.00 0.00 173.24 172.99 3ghe s SER 180 N -0.29 2.89 0.06 2.44 0.15 -0.75 -0.81 113.70 117.39 3ghe s SER 180 Ca -0.01 -0.55 0.06 0.00 0.70 0.00 0.00 55.95 56.15 3ghe s SER 180 Cb -0.03 -1.33 -0.03 0.00 -1.71 0.00 0.00 66.02 62.93 3ghe s SER 180 CO -0.00 0.06 -0.16 0.54 1.20 0.00 0.00 173.24 174.88 3ghe s VAL 181 N 0.89 1.25 0.01 4.45 0.11 0.05 -1.30 120.40 125.86 3ghe s VAL 181 Ca -0.07 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.84 3ghe s VAL 181 Cb -0.15 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 3ghe s VAL 181 CO -0.02 -0.04 -0.06 0.54 -3.33 0.00 0.00 175.10 172.19 3ghe s VAL 182 N -0.99 0.45 -0.21 2.04 0.11 0.25 -0.04 120.40 122.02 3ghe s VAL 182 Ca 0.02 -0.47 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 3ghe s VAL 182 Cb -0.09 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 3ghe s VAL 182 CO 0.02 -0.02 0.12 -0.89 -3.33 0.00 0.00 175.10 170.99 3ghe s THR 183 N -0.48 5.19 0.21 5.04 2.01 -0.49 -1.77 115.64 125.36 3ghe s THR 183 Ca -0.01 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.11 3ghe s THR 183 Cb -0.04 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 3ghe s THR 183 CO -0.00 0.42 0.07 0.68 -0.69 0.00 0.00 174.62 175.10 3ghe s VAL 184 N 0.56 0.50 0.15 3.82 -7.23 0.54 -4.79 120.40 113.95 3ghe s VAL 184 Ca 0.06 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 57.94 3ghe s VAL 184 Cb -0.12 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 3ghe s VAL 184 CO 0.00 -0.19 1.40 -2.84 -0.31 0.00 0.00 175.10 173.16 3ghe s PRO 185 N -4.01 4.32 0.51 4.82 0.02 -1.26 0.48 135.00 139.88 3ghe s PRO 185 Ca 0.32 2.13 0.16 0.00 0.02 0.00 0.00 61.00 63.63 3ghe s PRO 185 Cb 0.07 -3.21 1.24 0.00 0.02 0.00 0.00 34.50 32.62 3ghe s PRO 185 CO 0.09 -0.42 2.13 0.77 -0.33 0.00 0.00 177.00 179.25 3ghe h SER 186 N 6.33 0.00 1.08 2.53 0.02 -1.45 -2.63 113.55 119.43 3ghe h SER 186 Ca -0.43 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 3ghe h SER 186 Cb 1.21 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3ghe h SER 186 CO 0.84 0.02 -0.15 0.77 -1.14 0.00 0.00 176.83 177.17 3ghe h SER 187 N 0.00 0.00 1.68 3.07 4.64 -1.91 -3.05 113.55 117.98 3ghe h SER 187 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ghe h SER 187 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ghe h SER 187 CO 0.00 0.15 -0.17 0.77 -0.87 0.00 0.00 176.83 176.71 3ghe h SER 188 N 0.00 0.00 -1.16 4.97 4.64 -1.86 -3.33 113.55 116.81 3ghe h SER 188 Ca -0.00 -0.01 0.33 0.00 -0.47 0.00 0.00 61.79 61.63 3ghe h SER 188 Cb 0.73 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 3ghe h SER 188 CO 0.02 0.01 0.80 -0.07 -0.87 0.00 0.00 176.83 176.72 3ghe h LEU 189 N 0.00 0.17 -0.36 5.97 3.38 -1.61 0.32 115.31 123.17 3ghe h LEU 189 Ca 0.00 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3ghe h LEU 189 Cb 0.93 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3ghe h LEU 189 CO 0.00 0.02 -0.82 1.23 0.09 0.00 0.00 178.44 178.95 3ghe h GLY 190 N 0.14 0.15 0.00 0.83 0.00 -1.81 -3.40 103.07 98.98 3ghe h GLY 190 Ca 0.60 -0.25 -0.30 0.00 0.00 0.00 0.00 47.33 47.37 3ghe h GLY 190 CO -0.13 0.22 -2.05 -1.30 0.00 0.00 0.00 176.54 173.28 3ghe n THR 191 N -3.66 1.04 -2.34 4.70 -2.24 0.08 -4.99 114.28 106.87 3ghe n THR 191 Ca -0.02 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 3ghe n THR 191 Cb 0.77 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 3ghe n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ghe s GLN 192 N -2.35 4.35 0.19 -0.78 2.00 0.89 -5.02 119.66 118.93 3ghe s GLN 192 Ca -0.26 1.84 -0.17 0.00 -2.00 0.00 0.00 55.36 54.78 3ghe s GLN 192 Cb 0.09 -3.47 -0.08 0.00 0.80 0.00 0.00 33.01 30.35 3ghe s GLN 192 CO 0.37 -0.43 0.63 0.95 -0.50 0.00 0.00 175.29 176.31 3ghe s THR 193 N 1.82 4.72 -0.08 -0.34 -4.23 -1.26 -4.71 115.64 111.56 3ghe s THR 193 Ca 0.60 1.03 0.03 0.00 -1.18 0.00 0.00 61.69 62.17 3ghe s THR 193 Cb -0.30 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 69.77 3ghe s THR 193 CO 0.26 0.20 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.07 3ghe s TYR 194 N -1.52 1.89 -0.03 3.99 2.02 -1.26 -4.96 117.35 117.48 3ghe s TYR 194 Ca 0.41 -0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3ghe s TYR 194 Cb -0.15 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3ghe s TYR 194 CO 0.20 -0.33 0.03 0.99 -1.57 0.00 0.00 175.55 174.86 3ghe s THR 195 N 0.53 0.04 -0.15 -0.71 2.01 -1.26 -0.76 115.64 115.34 3ghe s THR 195 Ca -0.16 0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 3ghe s THR 195 Cb -0.17 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 3ghe s THR 195 CO 0.06 0.14 0.33 0.00 -0.69 0.00 0.00 174.62 174.46 3ghe s ASN 197 N 0.40 5.99 -0.17 0.00 -0.87 0.50 -1.36 114.94 119.43 3ghe s ASN 197 Ca 0.18 -1.30 -0.07 0.00 -1.57 0.00 0.00 52.86 50.10 3ghe s ASN 197 Cb -0.13 -2.12 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 3ghe s ASN 197 CO 0.05 -0.58 0.07 -0.69 -2.57 0.00 0.00 177.10 173.38 3ghe s VAL 198 N 1.59 4.84 -0.06 1.60 1.01 0.97 -2.14 120.40 128.21 3ghe s VAL 198 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3ghe s VAL 198 Cb -0.23 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3ghe s VAL 198 CO 0.06 0.48 -0.15 0.21 0.00 0.00 0.00 175.10 175.70 3ghe s ASN 199 N 0.22 1.97 -0.49 3.32 2.47 -0.64 -0.18 114.94 121.60 3ghe s ASN 199 Ca 0.05 -0.33 0.03 0.00 0.42 0.00 0.00 52.86 53.03 3ghe s ASN 199 Cb -0.12 -0.73 0.15 0.00 -1.45 0.00 0.00 41.25 39.10 3ghe s ASN 199 CO 0.00 0.09 0.32 -2.28 -3.72 0.00 0.00 177.10 171.51 3ghe s HIS 200 N 0.34 2.12 0.33 0.43 5.65 0.73 -1.67 115.29 123.22 3ghe s HIS 200 Ca -0.10 -2.60 0.06 0.00 0.25 0.00 0.00 55.06 52.67 3ghe s HIS 200 Cb -0.14 -1.84 0.70 0.00 -1.18 0.00 0.00 32.58 30.13 3ghe s HIS 200 CO 0.03 -0.74 1.88 0.87 -0.65 0.00 0.00 174.74 176.13 3ghe h LYS 201 N 6.19 0.80 -0.97 2.88 1.57 -1.80 -2.00 116.57 123.24 3ghe h LYS 201 Ca 0.09 -0.05 0.23 0.00 -1.87 0.00 0.00 60.65 59.05 3ghe h LYS 201 Cb 0.88 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 3ghe h LYS 201 CO 0.51 0.53 0.63 -1.35 -0.57 0.00 0.00 179.45 179.20 3ghe h PRO 202 N 0.82 0.43 -0.33 3.15 0.11 -1.90 0.91 132.00 135.20 3ghe h PRO 202 Ca 0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3ghe h PRO 202 Cb 0.54 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3ghe h PRO 202 CO -0.20 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 176.74 3ghe n SER 203 N -4.57 3.18 -3.86 -2.05 3.41 -1.01 -4.97 113.62 103.75 3ghe n SER 203 Ca 0.22 -2.26 -0.30 0.00 -0.26 0.00 0.00 58.87 56.27 3ghe n SER 203 Cb 0.75 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3ghe n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ghe n ASN 204 N 0.26 -2.69 -4.01 4.04 4.13 0.31 -4.89 115.26 112.41 3ghe n ASN 204 Ca 0.14 -1.04 -0.25 0.00 1.68 0.00 0.00 54.58 55.11 3ghe n ASN 204 Cb 0.54 -3.04 -0.17 0.00 -1.54 0.00 0.00 39.78 35.58 3ghe n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ghe s THR 205 N -3.72 1.14 0.01 3.41 2.01 -0.81 -5.00 115.64 112.66 3ghe s THR 205 Ca 0.24 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.86 3ghe s THR 205 Cb -0.10 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 3ghe s THR 205 CO 0.89 0.36 -0.23 -0.54 -0.69 0.00 0.00 174.62 174.41 3ghe s LYS 206 N 0.82 1.73 -0.02 4.92 1.02 -1.26 -0.19 119.74 126.75 3ghe s LYS 206 Ca -0.12 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 54.97 3ghe s LYS 206 Cb -0.15 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 3ghe s LYS 206 CO 0.02 0.47 0.04 0.08 -0.92 0.00 0.00 175.35 175.04 3ghe s VAL 207 N -0.64 -0.07 -0.36 3.17 1.01 0.75 -5.00 120.40 119.27 3ghe s VAL 207 Ca 0.09 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 3ghe s VAL 207 Cb -0.09 -0.09 0.07 0.00 0.00 0.00 0.00 36.38 36.26 3ghe s VAL 207 CO 0.00 0.10 0.12 -1.81 0.00 0.00 0.00 175.10 173.51 3ghe s ASP 208 N 1.20 5.20 -0.22 3.32 1.01 -1.26 -0.02 116.67 125.89 3ghe s ASP 208 Ca -0.08 -1.48 -0.07 0.00 0.71 0.00 0.00 52.55 51.63 3ghe s ASP 208 Cb -0.13 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3ghe s ASP 208 CO -0.03 -0.39 0.06 -0.75 0.21 0.00 0.00 175.17 174.27 3ghe s LYS 209 N 1.28 3.76 -0.02 8.23 2.47 -0.47 -4.93 119.74 130.07 3ghe s LYS 209 Ca 0.01 -0.44 -0.29 0.00 -1.56 0.00 0.00 55.97 53.69 3ghe s LYS 209 Cb -0.21 -3.27 -0.03 0.00 -1.46 0.00 0.00 37.83 32.86 3ghe s LYS 209 CO -0.01 -0.02 0.94 0.50 0.16 0.00 0.00 175.35 176.92 3ghe s ARG 210 N 1.16 4.53 -0.43 4.03 3.52 -1.26 -1.52 118.95 128.98 3ghe s ARG 210 Ca 0.04 1.33 -0.09 0.00 -0.13 0.00 0.00 55.73 56.88 3ghe s ARG 210 Cb -0.14 -3.46 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3ghe s ARG 210 CO 0.03 -0.05 0.27 0.08 -0.81 0.00 0.00 175.30 174.82 3ghe s VAL 211 N 1.06 4.16 0.35 7.11 1.01 0.06 -4.86 120.40 129.29 3ghe s VAL 211 Ca 0.49 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 61.03 3ghe s VAL 211 Cb -0.20 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3ghe s VAL 211 CO 0.26 -0.57 0.48 -1.61 0.00 0.00 0.00 175.10 173.65 3ghe s GLU 212 N 1.39 3.03 0.00 2.72 2.02 -1.26 -4.33 118.70 122.28 3ghe s GLU 212 Ca 0.04 -1.08 0.24 0.00 0.02 0.00 0.00 54.97 54.19 3ghe s GLU 212 Cb -0.24 -2.78 1.44 0.00 0.10 0.00 0.00 34.13 32.65 3ghe s GLU 212 CO 0.01 0.00 1.80 1.28 0.02 0.00 0.00 175.26 178.38