#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vve s LYS 2 N 0.00 1.64 -0.34 7.34 0.00 -1.26 -4.61 119.74 122.50 1vve s LYS 2 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 55.97 54.06 1vve s LYS 2 Cb 0.00 -0.83 0.12 0.00 0.00 0.00 0.00 37.83 37.12 1vve s LYS 2 CO 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 175.35 175.32 1vve s GLN 4 N 1.37 -0.44 0.27 0.00 1.11 -1.26 0.22 119.66 120.92 1vve s GLN 4 Ca 0.13 0.01 -0.29 0.00 0.01 0.00 0.00 55.36 55.22 1vve s GLN 4 Cb -0.20 -1.68 -0.14 0.00 -1.01 0.00 0.00 33.01 29.98 1vve s GLN 4 CO -0.17 -3.21 1.08 -1.13 0.01 0.00 0.00 175.29 171.87 1vve n SER 5 N -4.42 1.49 -4.76 5.90 3.41 0.72 -4.61 113.62 111.35 1vve n SER 5 Ca 0.11 1.17 -0.33 0.00 -0.26 0.00 0.00 58.87 59.57 1vve n SER 5 Cb 0.59 -1.30 0.06 0.00 -0.26 0.00 0.00 64.21 63.31 1vve n SER 5 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1vve s PRO 6 N -1.32 2.57 0.85 4.33 0.04 -1.26 -5.02 135.00 135.18 1vve s PRO 6 Ca 0.61 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 1vve s PRO 6 Cb -0.71 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.01 1vve s PRO 6 CO 0.58 -1.43 1.12 -1.25 0.04 0.00 0.00 177.00 176.07 1vve s PRO 7 N -4.29 1.67 -0.74 0.56 0.04 -1.26 -4.83 135.00 126.15 1vve s PRO 7 Ca 0.66 0.42 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 1vve s PRO 7 Cb -0.20 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1vve s PRO 7 CO 0.46 -1.86 1.24 -1.54 0.04 0.00 0.00 177.00 175.33 1vve s SER 8 N -4.04 6.17 0.54 6.66 1.04 -1.26 -4.68 113.70 118.13 1vve s SER 8 Ca 0.62 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1vve s SER 8 Cb -0.14 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1vve s SER 8 CO 0.53 -1.77 0.00 2.30 0.98 0.00 0.00 173.24 175.28 1vve n ILE 9 N 6.33 0.00 -1.69 -1.02 -5.35 -0.70 -4.71 119.36 112.21 1vve n ILE 9 Ca 0.03 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.09 1vve n ILE 9 Cb 0.49 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 1vve n ILE 9 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1vve s SER 10 N -1.55 6.15 -1.70 7.28 1.04 -1.26 -2.84 113.70 120.81 1vve s SER 10 Ca 0.00 2.35 -0.14 0.00 0.48 0.00 0.00 55.95 58.64 1vve s SER 10 Cb 0.00 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.73 1vve s SER 10 CO 0.00 -1.34 0.49 0.59 0.98 0.00 0.00 173.24 173.96 1vve n ASN 11 N 8.86 -1.41 -3.64 7.02 4.13 -1.26 -4.23 115.26 124.72 1vve n ASN 11 Ca 0.23 -1.16 -0.13 0.00 1.68 0.00 0.00 54.58 55.20 1vve n ASN 11 Cb 0.43 -2.11 -0.07 0.00 -1.54 0.00 0.00 39.78 36.48 1vve n ASN 11 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1vve s GLY 12 N -3.67 -0.52 0.00 7.41 0.00 -1.13 -1.74 107.32 107.67 1vve s GLY 12 Ca 0.51 1.96 0.00 0.00 0.00 0.00 0.00 44.72 47.19 1vve s GLY 12 CO 0.98 1.72 0.00 0.54 0.00 0.00 0.00 173.10 176.33 1vve n ARG 13 N 2.86 1.00 -3.67 2.90 1.74 0.70 -1.73 116.66 120.47 1vve n ARG 13 Ca -0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.82 1vve n ARG 13 Cb 0.56 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.88 1vve n ARG 13 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1vve s HIS 14 N 0.71 -0.55 0.00 -1.55 -3.43 -1.26 0.26 115.29 109.47 1vve s HIS 14 Ca 0.00 1.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.42 1vve s HIS 14 Cb 0.00 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1vve s HIS 14 CO 0.00 -0.39 0.00 -1.71 -2.00 0.00 0.00 174.74 170.64 1vve n ASN 15 N 5.28 0.00 0.00 7.38 4.05 -1.22 -4.91 115.26 125.85 1vve n ASN 15 Ca -0.08 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.95 1vve n ASN 15 Cb 0.50 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.41 1vve n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vve n GLY 16 N 3.13 1.73 0.00 8.20 0.00 -1.26 -3.92 105.19 113.07 1vve n GLY 16 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vve n GLY 16 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vve n TYR 17 N 0.00 0.00 -2.71 1.61 4.19 -1.26 -4.92 117.16 114.07 1vve n TYR 17 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1vve n TYR 17 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1vve n TYR 17 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1vve n GLU 18 N 0.00 -1.31 -0.10 2.98 0.28 -1.25 -5.07 120.64 116.17 1vve n GLU 18 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1vve n GLU 18 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1vve n GLU 18 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1vve n ASP 19 N 0.21 1.44 -2.13 -1.84 9.92 -1.26 -4.90 116.55 118.00 1vve n ASP 19 Ca 0.00 0.25 -0.01 0.00 -0.53 0.00 0.00 54.79 54.49 1vve n ASP 19 Cb 0.00 -0.60 0.01 0.00 -0.64 0.00 0.00 41.12 39.89 1vve n ASP 19 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1vve n PHE 20 N -3.92 -3.55 -0.21 1.24 3.01 -1.26 0.26 117.46 113.02 1vve n PHE 20 Ca -0.38 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 57.99 1vve n PHE 20 Cb 0.76 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1vve n PHE 20 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vve n TYR 21 N -1.65 0.00 0.00 1.38 4.01 0.59 -4.63 117.16 116.86 1vve n TYR 21 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1vve n TYR 21 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1vve n TYR 21 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1vve n THR 22 N 0.00 0.00 -3.90 -0.72 -2.24 -1.06 -4.10 114.28 102.27 1vve n THR 22 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1vve n THR 22 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1vve n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vve s ASP 23 N -4.00 0.16 -0.44 3.42 -1.08 -1.25 -3.12 116.67 110.35 1vve s ASP 23 Ca 0.00 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.41 1vve s ASP 23 Cb 0.00 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.75 1vve s ASP 23 CO 0.00 -0.63 0.00 0.61 0.52 0.00 0.00 175.17 175.67 1vve n GLY 24 N 0.28 0.59 3.93 2.66 0.00 0.25 -4.91 105.19 107.99 1vve n GLY 24 Ca -0.16 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1vve n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vve s SER 25 N -2.30 6.20 0.03 1.61 1.04 -0.98 -4.89 113.70 114.42 1vve s SER 25 Ca 0.00 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 1vve s SER 25 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 1vve s SER 25 CO 0.00 -0.45 -0.00 -0.69 0.98 0.00 0.00 173.24 173.07 1vve s VAL 26 N -2.49 0.13 -0.09 5.02 1.01 -1.25 -0.25 120.40 122.48 1vve s VAL 26 Ca 0.44 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1vve s VAL 26 Cb -0.10 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.70 1vve s VAL 26 CO 0.39 -0.61 0.05 -0.69 0.00 0.00 0.00 175.10 174.23 1vve s VAL 27 N -2.13 0.11 -0.53 2.92 1.01 -0.97 -4.71 120.40 116.11 1vve s VAL 27 Ca -0.10 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1vve s VAL 27 Cb -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1vve s VAL 27 CO -0.03 0.06 1.75 -0.89 0.00 0.00 0.00 175.10 175.99 1vve s THR 28 N 2.07 3.48 0.05 3.92 2.01 -1.26 0.14 115.64 126.04 1vve s THR 28 Ca 0.04 0.37 -0.31 0.00 0.31 0.00 0.00 61.69 62.11 1vve s THR 28 Cb -0.14 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1vve s THR 28 CO -0.06 -0.83 1.51 -0.31 -0.69 0.00 0.00 174.62 174.24 1vve s TYR 29 N 7.90 2.74 0.46 4.92 1.51 -1.26 -3.40 117.35 130.22 1vve s TYR 29 Ca 0.67 0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 57.21 1vve s TYR 29 Cb -0.15 -3.80 -0.08 0.00 -0.11 0.00 0.00 41.96 37.83 1vve s TYR 29 CO 0.25 -3.05 0.90 -1.12 -1.11 0.00 0.00 175.55 171.43 1vve s SER 30 N 1.96 6.66 -0.03 2.29 0.01 0.74 -4.79 113.70 120.53 1vve s SER 30 Ca 0.68 1.45 0.07 0.00 1.31 0.00 0.00 55.95 59.46 1vve s SER 30 Cb -0.36 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.40 1vve s SER 30 CO 0.29 -0.47 -0.24 0.00 0.41 0.00 0.00 173.24 173.23 1vve n ASN 32 N 2.68 -2.02 -4.73 0.00 2.85 -0.71 -4.82 115.26 108.52 1vve n ASN 32 Ca -0.16 0.38 -0.42 0.00 -0.11 0.00 0.00 54.58 54.27 1vve n ASN 32 Cb 0.52 -1.20 -0.03 0.00 1.24 0.00 0.00 39.78 40.32 1vve n ASN 32 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1vve s SER 33 N -1.87 6.51 0.00 1.20 1.04 -1.26 -2.08 113.70 117.24 1vve s SER 33 Ca 0.58 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.75 1vve s SER 33 Cb -0.24 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.28 1vve s SER 33 CO 0.66 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1vve n GLY 34 N 3.34 2.92 3.78 7.32 0.00 -1.26 -5.03 105.19 116.26 1vve n GLY 34 Ca 0.12 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1vve n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vve s TYR 35 N -2.22 3.71 0.15 1.61 1.51 -0.89 -4.56 117.35 116.67 1vve s TYR 35 Ca 0.00 1.18 -0.15 0.00 -1.01 0.00 0.00 57.07 57.09 1vve s TYR 35 Cb 0.00 -2.54 -0.07 0.00 -0.11 0.00 0.00 41.96 39.24 1vve s TYR 35 CO 0.00 0.44 0.56 0.45 -1.11 0.00 0.00 175.55 175.89 1vve s SER 36 N -0.48 6.85 -0.56 2.29 0.15 0.73 -4.60 113.70 118.07 1vve s SER 36 Ca 0.29 1.11 -0.18 0.00 0.70 0.00 0.00 55.95 57.87 1vve s SER 36 Cb -0.18 -2.30 0.10 0.00 -1.71 0.00 0.00 66.02 61.93 1vve s SER 36 CO 0.17 0.10 0.62 -0.22 1.20 0.00 0.00 173.24 175.11 1vve s LEU 37 N -1.94 5.57 0.14 3.45 2.96 -1.26 -1.61 118.68 125.99 1vve s LEU 37 Ca 0.38 -1.47 -0.07 0.00 -0.22 0.00 0.00 54.13 52.75 1vve s LEU 37 Cb -0.15 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 1vve s LEU 37 CO 0.19 -1.00 0.42 -0.63 -1.32 0.00 0.00 176.35 174.02 1vve s ILE 38 N 2.33 5.09 0.00 6.68 -1.09 -0.70 -4.80 121.20 128.72 1vve s ILE 38 Ca 0.09 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1vve s ILE 38 Cb -0.25 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1vve s ILE 38 CO 0.06 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1vve n GLY 39 N 0.26 -0.42 3.73 6.18 0.00 -1.26 0.26 105.19 113.94 1vve n GLY 39 Ca -0.03 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 1vve n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1vve s ASN 40 N -4.00 7.05 -0.72 1.61 3.04 -1.26 -4.88 114.94 115.78 1vve s ASN 40 Ca 0.00 2.23 -0.06 0.00 0.04 0.00 0.00 52.86 55.07 1vve s ASN 40 Cb 0.00 -2.60 -0.11 0.00 -1.54 0.00 0.00 41.25 36.99 1vve s ASN 40 CO 0.00 -0.42 2.55 -1.54 -3.04 0.00 0.00 177.10 174.65 1vve n SER 41 N 2.75 5.35 0.00 -4.21 3.41 -1.26 -4.37 113.62 115.28 1vve n SER 41 Ca 0.05 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1vve n SER 41 Cb 0.44 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1vve n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vve n GLY 42 N 3.29 1.49 3.02 5.00 0.00 -1.25 -4.33 105.19 112.40 1vve n GLY 42 Ca 0.47 0.46 -0.27 0.00 0.00 0.00 0.00 46.02 46.67 1vve n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vve n VAL 43 N 0.00 0.00 -3.42 1.61 0.31 0.36 -4.44 118.33 112.75 1vve n VAL 43 Ca 0.00 -0.22 -0.19 0.00 -0.01 0.00 0.00 64.34 63.92 1vve n VAL 43 Cb 0.00 -1.05 -0.10 0.00 -0.91 0.00 0.00 33.84 31.77 1vve n VAL 43 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1vve s LEU 44 N 0.00 -0.07 -0.46 7.52 2.96 -0.79 -2.28 118.68 125.57 1vve s LEU 44 Ca 0.62 -0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 53.35 1vve s LEU 44 Cb -0.08 0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.97 1vve s LEU 44 CO 0.50 -0.39 0.87 0.00 -1.32 0.00 0.00 176.35 176.02 1vve s SER 46 N 2.21 4.53 0.00 0.00 0.15 -1.06 0.85 113.70 120.38 1vve s SER 46 Ca 0.34 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 55.02 1vve s SER 46 Cb -0.11 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1vve s SER 46 CO 0.25 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1vve n GLY 47 N 4.43 0.70 2.71 9.45 0.00 -1.26 -3.94 105.19 117.29 1vve n GLY 47 Ca 0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1vve n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vve n GLY 48 N -0.58 -0.39 2.72 -0.02 0.00 -1.23 -4.87 105.19 100.82 1vve n GLY 48 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1vve n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vve s GLU 49 N -5.37 0.45 0.33 1.61 2.02 -1.25 -4.94 118.70 111.54 1vve s GLU 49 Ca 0.19 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 1vve s GLU 49 Cb -0.08 -0.77 -0.11 0.00 0.10 0.00 0.00 34.13 33.26 1vve s GLU 49 CO 0.23 -1.10 1.56 -1.58 0.02 0.00 0.00 175.26 174.39 1vve s TRP 50 N 1.90 2.65 0.33 1.61 0.52 -1.26 -2.57 118.94 122.12 1vve s TRP 50 Ca 0.13 0.93 0.07 0.00 0.02 0.00 0.00 56.10 57.25 1vve s TRP 50 Cb -0.15 -4.07 -0.03 0.00 -1.15 0.00 0.00 33.47 28.06 1vve s TRP 50 CO -0.20 -3.41 0.27 0.45 0.02 0.00 0.00 176.95 174.08 1vve s SER 51 N 0.23 1.72 -0.96 2.95 0.15 0.23 -4.91 113.70 113.11 1vve s SER 51 Ca 0.59 -1.76 -0.18 0.00 0.70 0.00 0.00 55.95 55.31 1vve s SER 51 Cb -0.48 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1vve s SER 51 CO 0.55 -1.06 0.60 0.47 1.20 0.00 0.00 173.24 175.00 1vve n ASP 52 N -1.53 -4.10 -4.81 5.45 8.00 -1.26 -1.89 116.55 116.40 1vve n ASP 52 Ca 0.07 -1.08 -0.38 0.00 0.71 0.00 0.00 54.79 54.11 1vve n ASP 52 Cb 0.62 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 1vve n ASP 52 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1vve s PRO 53 N -6.13 4.05 0.92 -0.24 0.04 -1.26 -4.35 135.00 128.04 1vve s PRO 53 Ca 0.24 0.51 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 1vve s PRO 53 Cb -0.14 -3.25 0.21 0.00 0.04 0.00 0.00 34.50 31.36 1vve s PRO 53 CO 0.87 0.61 1.20 -0.35 0.04 0.00 0.00 177.00 179.37 1vve n PRO 54 N 2.03 -1.38 -4.26 0.56 -0.04 -1.26 -4.79 135.00 125.86 1vve n PRO 54 Ca -0.12 -1.86 -0.27 0.00 -0.04 0.00 0.00 63.50 61.21 1vve n PRO 54 Cb 0.52 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 1vve n PRO 54 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1vve s THR 55 N -3.58 1.96 -0.44 0.52 -4.23 0.73 -4.90 115.64 105.70 1vve s THR 55 Ca 0.69 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1vve s THR 55 Cb -0.02 -2.72 0.19 0.00 1.34 0.00 0.00 72.50 71.29 1vve s THR 55 CO 0.49 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.97 1vve n GLN 57 N 2.38 2.74 -4.59 0.00 10.64 -0.64 -4.77 117.38 123.15 1vve n GLN 57 Ca 0.27 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 55.11 1vve n GLN 57 Cb 0.48 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.73 1vve n GLN 57 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1vve s ILE 58 N 0.73 3.52 -0.38 -0.39 1.09 -1.26 0.26 121.20 124.76 1vve s ILE 58 Ca 0.00 -0.50 0.09 0.00 -1.10 0.00 0.00 60.65 59.14 1vve s ILE 58 Cb 0.00 -2.50 0.44 0.00 -1.06 0.00 0.00 42.46 39.34 1vve s ILE 58 CO 0.00 0.52 1.09 1.33 -0.10 0.00 0.00 174.94 177.78 1vve n VAL 59 N 3.36 2.04 -1.49 2.92 0.24 -1.26 -4.39 118.33 119.75 1vve n VAL 59 Ca -0.18 -4.31 -0.30 0.00 -2.04 0.00 0.00 64.34 57.51 1vve n VAL 59 Cb 0.53 -0.69 0.11 0.00 -1.47 0.00 0.00 33.84 32.32 1vve n VAL 59 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1vve s LYS 60 N -3.47 1.68 0.37 7.34 1.02 -1.26 -3.31 119.74 122.10 1vve s LYS 60 Ca 0.43 0.57 0.05 0.00 0.02 0.00 0.00 55.97 57.04 1vve s LYS 60 Cb 0.41 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.78 1vve s LYS 60 CO -0.10 -1.89 0.04 0.00 -0.92 0.00 0.00 175.35 172.49 1vve h PRO 62 N 1.94 0.00 0.00 0.00 0.13 -1.93 -3.44 132.00 128.70 1vve h PRO 62 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1vve h PRO 62 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1vve h PRO 62 CO 0.73 0.22 0.00 0.72 -0.23 0.00 0.00 178.00 179.44 1vve n HIS 63 N -4.64 0.00 -1.33 1.56 8.25 -1.26 -5.02 115.22 112.77 1vve n HIS 63 Ca -0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 1vve n HIS 63 Cb 0.26 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 1vve n HIS 63 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1vve n PRO 64 N 0.00 2.54 -0.91 -0.41 -0.04 -1.26 -4.90 135.00 130.02 1vve n PRO 64 Ca 0.00 -2.14 -0.09 0.00 -0.04 0.00 0.00 63.50 61.23 1vve n PRO 64 Cb 0.00 -2.96 0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1vve n PRO 64 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1vve n THR 65 N 4.89 0.00 0.00 0.52 -2.24 -1.26 -4.74 114.28 111.46 1vve n THR 65 Ca 0.56 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1vve n THR 65 Cb 0.32 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1vve n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vve n ILE 66 N -2.29 0.00 -2.60 2.28 3.06 -1.26 -4.74 119.36 113.81 1vve n ILE 66 Ca 0.06 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.88 1vve n ILE 66 Cb 0.19 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.35 1vve n ILE 66 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1vve s SER 67 N 0.00 6.67 -0.93 9.51 1.04 -1.26 -4.32 113.70 124.41 1vve s SER 67 Ca 0.00 0.58 -0.21 0.00 0.48 0.00 0.00 55.95 56.80 1vve s SER 67 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1vve s SER 67 CO 0.00 -1.20 0.55 0.59 0.98 0.00 0.00 173.24 174.16 1vve n ASN 68 N 7.72 -3.62 0.00 7.02 3.02 -1.26 -2.80 115.26 125.34 1vve n ASN 68 Ca 0.12 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1vve n ASN 68 Cb 0.49 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 1vve n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vve n GLY 69 N -1.79 -0.12 7.00 7.41 0.00 -1.26 -0.30 105.19 116.13 1vve n GLY 69 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vve n GLY 69 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vve n TYR 70 N -1.95 -1.00 -4.12 1.61 0.18 -1.26 -1.54 117.16 109.08 1vve n TYR 70 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 1vve n TYR 70 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 1vve n TYR 70 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 1vve s LEU 71 N 0.00 2.37 -0.01 -3.48 -0.00 -1.25 0.24 118.68 116.54 1vve s LEU 71 Ca 0.00 -0.76 0.12 0.00 -0.00 0.00 0.00 54.13 53.50 1vve s LEU 71 Cb 0.00 -0.14 -0.18 0.00 -0.00 0.00 0.00 46.19 45.87 1vve s LEU 71 CO 0.00 -0.31 0.33 -0.24 -0.00 0.00 0.00 176.35 176.13 1vve n SER 72 N 0.78 1.77 0.00 1.48 2.88 -0.21 -4.76 113.62 115.55 1vve n SER 72 Ca -0.18 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1vve n SER 72 Cb 0.57 1.42 0.00 0.00 -0.75 0.00 0.00 64.21 65.45 1vve n SER 72 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vve n SER 73 N -1.76 0.00 -3.19 -3.46 2.88 -1.25 -4.84 113.62 102.01 1vve n SER 73 Ca -0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.51 1vve n SER 73 Cb 0.29 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 1vve n SER 73 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1vve s GLY 74 N 0.00 -1.06 -0.71 0.46 0.00 -1.26 -5.01 107.32 99.74 1vve s GLY 74 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 44.72 44.40 1vve s GLY 74 CO 0.00 3.52 1.36 -0.12 0.00 0.00 0.00 173.10 177.85 1vve s PHE 75 N 1.66 2.21 -0.02 1.90 5.36 -1.26 -4.90 117.98 122.93 1vve s PHE 75 Ca 0.18 0.09 -0.21 0.00 -0.96 0.00 0.00 56.93 56.03 1vve s PHE 75 Cb -0.05 -4.55 -0.05 0.00 -0.34 0.00 0.00 43.02 38.03 1vve s PHE 75 CO -0.06 -2.09 0.61 0.21 -1.46 0.00 0.00 175.22 172.42 1vve s LYS 76 N 5.88 4.34 0.51 10.12 2.20 -1.26 -4.91 119.74 136.62 1vve s LYS 76 Ca 0.40 0.74 0.43 0.00 -0.36 0.00 0.00 55.97 57.18 1vve s LYS 76 Cb -0.09 -3.37 1.65 0.00 -1.51 0.00 0.00 37.83 34.51 1vve s LYS 76 CO 0.16 0.30 1.58 -0.09 -0.36 0.00 0.00 175.35 176.94 1vve h ARG 77 N 5.91 0.00 -4.93 4.03 2.43 -2.00 -3.35 114.38 116.47 1vve h ARG 77 Ca -0.44 -0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.21 1vve h ARG 77 Cb 1.20 -0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.43 1vve h ARG 77 CO 0.71 0.00 -0.82 -1.12 -1.51 0.00 0.00 179.97 177.23 1vve s SER 78 N -4.06 1.83 0.00 -3.80 0.01 -1.26 -4.97 113.70 101.45 1vve s SER 78 Ca -0.06 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1vve s SER 78 Cb 0.29 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1vve s SER 78 CO 0.87 0.10 0.00 -1.22 0.41 0.00 0.00 173.24 173.40 1vve n TYR 79 N 3.35 0.00 0.00 2.43 4.02 -1.26 -5.00 117.16 120.70 1vve n TYR 79 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1vve n TYR 79 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1vve n TYR 79 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1vve n SER 80 N 0.00 0.00 -0.36 7.72 3.41 -1.21 -4.30 113.62 118.88 1vve n SER 80 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1vve n SER 80 Cb 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1vve n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vve n TYR 81 N 0.00 0.28 -1.60 7.33 9.36 -0.91 -4.06 117.16 127.56 1vve n TYR 81 Ca 0.00 -0.58 0.00 0.00 3.32 0.00 0.00 57.90 60.64 1vve n TYR 81 Cb 0.00 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 1vve n TYR 81 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1vve n ASN 82 N -0.15 0.00 -4.51 2.98 4.13 -0.19 -4.16 115.26 113.37 1vve n ASN 82 Ca 0.08 -0.65 -0.14 0.00 1.68 0.00 0.00 54.58 55.56 1vve n ASN 82 Cb 0.42 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.55 1vve n ASN 82 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1vve n ASP 83 N 0.00 0.82 -4.71 6.41 2.03 -1.26 -4.58 116.55 115.26 1vve n ASP 83 Ca 0.00 -1.61 -0.42 0.00 0.52 0.00 0.00 54.79 53.28 1vve n ASP 83 Cb 0.16 -1.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.12 1vve n ASP 83 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1vve s ASN 84 N 7.59 7.00 -0.22 1.67 2.47 -1.26 -2.72 114.94 129.46 1vve s ASN 84 Ca 0.88 2.09 -0.01 0.00 0.42 0.00 0.00 52.86 56.24 1vve s ASN 84 Cb -0.21 -2.58 0.02 0.00 -1.45 0.00 0.00 41.25 37.03 1vve s ASN 84 CO 0.18 -0.54 -0.11 0.68 -3.72 0.00 0.00 177.10 173.59 1vve s VAL 85 N 1.22 2.61 -0.22 -5.21 -7.23 0.53 -4.54 120.40 107.55 1vve s VAL 85 Ca 0.60 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 59.54 1vve s VAL 85 Cb -0.31 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 1vve s VAL 85 CO 0.29 0.33 0.91 -0.62 -0.31 0.00 0.00 175.10 175.70 1vve s ASP 86 N 1.32 6.96 0.17 4.85 2.15 -1.26 -1.64 116.67 129.22 1vve s ASP 86 Ca 0.02 1.20 -0.27 0.00 0.43 0.00 0.00 52.55 53.92 1vve s ASP 86 Cb -0.15 -2.48 -0.08 0.00 -0.30 0.00 0.00 42.92 39.91 1vve s ASP 86 CO -0.07 -0.55 0.85 -0.36 -0.17 0.00 0.00 175.17 174.88 1vve s PHE 87 N 2.81 3.91 -0.75 -5.34 0.08 0.57 -1.05 117.98 118.21 1vve s PHE 87 Ca 0.39 1.74 -0.01 0.00 0.12 0.00 0.00 56.93 59.17 1vve s PHE 87 Cb -0.16 -2.88 0.19 0.00 -0.57 0.00 0.00 43.02 39.60 1vve s PHE 87 CO 0.08 0.43 0.59 0.21 -0.10 0.00 0.00 175.22 176.44 1vve s LYS 88 N -0.90 2.84 -0.05 0.44 2.36 0.65 -4.83 119.74 120.25 1vve s LYS 88 Ca 0.39 -3.01 -0.37 0.00 -2.55 0.00 0.00 55.97 50.43 1vve s LYS 88 Cb -0.24 -3.76 -0.18 0.00 -1.05 0.00 0.00 37.83 32.60 1vve s LYS 88 CO 0.28 -1.23 1.03 0.00 1.55 0.00 0.00 175.35 176.98 1vve n LYS 90 N 1.61 0.00 -3.61 0.00 5.02 0.60 -4.84 118.16 116.93 1vve n LYS 90 Ca 0.19 0.28 -0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1vve n LYS 90 Cb 0.06 -0.71 -0.06 0.00 -0.02 0.00 0.00 35.03 34.29 1vve n LYS 90 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1vve s TYR 91 N -0.64 -0.52 -1.33 2.13 5.04 -1.26 -4.96 117.35 115.81 1vve s TYR 91 Ca 0.00 1.16 -0.04 0.00 -2.44 0.00 0.00 57.07 55.74 1vve s TYR 91 Cb 0.00 0.37 0.02 0.00 0.35 0.00 0.00 41.96 42.70 1vve s TYR 91 CO 0.00 -0.32 0.91 0.41 -1.34 0.00 0.00 175.55 175.21 1vve n GLY 92 N 1.82 -0.39 3.28 8.97 0.00 -1.26 -4.98 105.19 112.63 1vve n GLY 92 Ca -0.13 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1vve n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vve s TYR 93 N -3.47 -0.14 -0.25 1.61 2.02 -1.26 -4.66 117.35 111.20 1vve s TYR 93 Ca 0.22 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 1vve s TYR 93 Cb -0.11 0.16 0.05 0.00 -0.40 0.00 0.00 41.96 41.66 1vve s TYR 93 CO 0.78 -0.59 -0.12 0.15 -1.57 0.00 0.00 175.55 174.20 1vve s LYS 94 N -3.14 2.42 -0.84 -0.62 1.02 0.59 -4.76 119.74 114.42 1vve s LYS 94 Ca -0.01 -1.23 -0.24 0.00 0.02 0.00 0.00 55.97 54.52 1vve s LYS 94 Cb 0.01 -2.86 -0.20 0.00 -0.52 0.00 0.00 37.83 34.26 1vve s LYS 94 CO -0.07 -0.50 2.45 1.28 -0.92 0.00 0.00 175.35 177.59 1vve n LEU 95 N 4.49 0.60 -4.56 3.17 4.77 -1.25 -2.31 117.00 121.92 1vve n LEU 95 Ca -0.15 -0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.01 1vve n LEU 95 Cb 0.44 -1.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 1vve n LEU 95 CO 0.23 -1.43 1.40 -0.55 -1.33 0.00 0.00 177.39 175.71 1vve s SER 96 N 7.92 5.78 0.00 -1.43 0.15 0.51 -4.22 113.70 122.41 1vve s SER 96 Ca 1.19 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1vve s SER 96 Cb -0.71 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.05 1vve s SER 96 CO 0.39 -2.12 0.00 0.61 1.20 0.00 0.00 173.24 173.32 1vve n GLY 97 N 6.33 0.01 3.31 9.45 0.00 -1.26 -1.52 105.19 121.51 1vve n GLY 97 Ca 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 1vve n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vve s SER 98 N -4.00 -0.49 0.00 1.61 0.15 -1.26 -4.90 113.70 104.81 1vve s SER 98 Ca 0.00 1.04 0.19 0.00 0.70 0.00 0.00 55.95 57.88 1vve s SER 98 Cb 0.00 1.61 0.91 0.00 -1.71 0.00 0.00 66.02 66.83 1vve s SER 98 CO 0.00 -0.24 1.60 -1.54 1.20 0.00 0.00 173.24 174.26 1vve n SER 99 N 5.41 0.00 -3.52 5.45 3.41 -1.26 -3.37 113.62 119.73 1vve n SER 99 Ca -0.08 0.19 -0.26 0.00 -0.26 0.00 0.00 58.87 58.46 1vve n SER 99 Cb 0.49 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1vve n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1vve s SER 100 N -2.73 2.92 0.30 4.04 1.04 -1.26 0.21 113.70 118.22 1vve s SER 100 Ca 0.15 -1.05 0.09 0.00 0.48 0.00 0.00 55.95 55.62 1vve s SER 100 Cb 0.13 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1vve s SER 100 CO 0.31 -0.41 0.10 -0.44 0.98 0.00 0.00 173.24 173.78 1vve s SER 101 N 2.17 4.76 -0.02 7.02 0.01 -0.65 -4.66 113.70 122.34 1vve s SER 101 Ca 0.08 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1vve s SER 101 Cb -0.16 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.22 1vve s SER 101 CO -0.32 -0.15 -0.00 -0.89 0.41 0.00 0.00 173.24 172.29 1vve s THR 102 N -2.34 0.10 -0.65 1.44 2.01 -0.14 0.20 115.64 116.26 1vve s THR 102 Ca 0.35 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.14 1vve s THR 102 Cb -0.05 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.21 1vve s THR 102 CO 0.22 0.09 2.32 0.00 -0.69 0.00 0.00 174.62 176.55 1vve s SER 104 N 10.96 -0.50 -0.01 0.00 0.01 -0.62 -1.02 113.70 122.52 1vve s SER 104 Ca 0.90 1.04 0.01 0.00 1.31 0.00 0.00 55.95 59.22 1vve s SER 104 Cb -0.14 -1.54 0.05 0.00 0.21 0.00 0.00 66.02 64.60 1vve s SER 104 CO 0.16 -5.05 0.60 -0.81 0.41 0.00 0.00 173.24 168.56 1vve n PRO 105 N -5.44 1.24 -0.10 12.44 -0.04 -1.26 -3.14 135.00 138.70 1vve n PRO 105 Ca 0.09 -0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1vve n PRO 105 Cb 0.58 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.61 1vve n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vve n GLY 106 N 0.06 2.20 1.82 0.55 0.00 -1.26 -4.63 105.19 103.93 1vve n GLY 106 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1vve n GLY 106 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vve n ASN 107 N 0.25 -2.89 -3.68 1.61 5.15 -1.19 -4.99 115.26 109.52 1vve n ASN 107 Ca 0.07 -0.12 0.02 0.00 -0.60 0.00 0.00 54.58 53.96 1vve n ASN 107 Cb 0.34 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 1vve n ASN 107 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1vve s THR 108 N -3.06 0.00 -0.81 -0.44 -4.23 -1.25 -4.77 115.64 101.08 1vve s THR 108 Ca 0.08 -0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.26 1vve s THR 108 Cb -0.01 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.66 1vve s THR 108 CO 0.14 0.00 0.86 0.26 -0.54 0.00 0.00 174.62 175.34 1vve s TRP 109 N -2.21 3.40 -0.11 3.99 0.23 -1.26 -1.59 118.94 121.39 1vve s TRP 109 Ca 0.20 -1.59 -0.01 0.00 -2.03 0.00 0.00 56.10 52.67 1vve s TRP 109 Cb 0.04 -4.00 -0.03 0.00 0.03 0.00 0.00 33.47 29.50 1vve s TRP 109 CO -0.03 -1.21 -0.05 0.15 0.96 0.00 0.00 176.95 176.77 1vve s LYS 110 N 1.49 3.19 0.93 4.98 -0.14 -0.92 -2.64 119.74 126.62 1vve s LYS 110 Ca 0.21 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 54.18 1vve s LYS 110 Cb -0.12 -2.75 0.15 0.00 -1.68 0.00 0.00 37.83 33.43 1vve s LYS 110 CO -0.06 0.47 1.09 -1.25 -0.76 0.00 0.00 175.35 174.85 1vve s PRO 111 N -0.28 1.00 0.23 -1.68 0.04 -1.26 -0.97 135.00 132.09 1vve s PRO 111 Ca 0.04 0.72 -0.28 0.00 0.04 0.00 0.00 61.00 61.53 1vve s PRO 111 Cb -0.13 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 1vve s PRO 111 CO 0.02 -2.39 0.71 -0.85 0.04 0.00 0.00 177.00 174.53 1vve n GLU 112 N -3.97 0.50 -1.48 4.56 0.28 -1.08 -4.71 120.64 114.73 1vve n GLU 112 Ca 0.06 0.17 -0.41 0.00 -0.16 0.00 0.00 57.16 56.83 1vve n GLU 112 Cb 0.56 -1.32 0.02 0.00 1.43 0.00 0.00 31.44 32.13 1vve n GLU 112 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1vve n LEU 113 N 1.71 0.56 -4.79 -1.84 4.32 -1.25 -4.03 117.00 111.69 1vve n LEU 113 Ca 0.15 0.88 -0.31 0.00 -0.02 0.00 0.00 56.01 56.71 1vve n LEU 113 Cb 0.27 -1.16 0.07 0.00 -1.62 0.00 0.00 43.42 40.98 1vve n LEU 113 CO 0.58 -2.74 0.70 -2.16 -1.22 0.00 0.00 177.39 172.55 1vve s PRO 114 N -1.78 2.54 -0.28 3.23 0.04 -1.22 -4.50 135.00 133.04 1vve s PRO 114 Ca 0.65 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1vve s PRO 114 Cb -0.55 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.12 1vve s PRO 114 CO 0.57 -1.40 -0.04 0.21 0.04 0.00 0.00 177.00 176.38 1vve s LYS 115 N -4.99 1.77 -0.63 4.56 2.20 -0.58 -4.30 119.74 117.77 1vve s LYS 115 Ca 0.60 -1.35 -0.26 0.00 -0.36 0.00 0.00 55.97 54.59 1vve s LYS 115 Cb -0.16 -2.82 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1vve s LYS 115 CO 0.55 -0.70 2.28 0.00 -0.36 0.00 0.00 175.35 177.13 1vve s VAL 117 N 12.26 1.47 0.00 0.00 -7.23 -0.98 -4.75 120.40 121.17 1vve s VAL 117 Ca 0.89 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1vve s VAL 117 Cb -0.14 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1vve s VAL 117 CO 0.18 0.00 0.28 -2.11 -0.31 0.00 0.00 175.10 173.13