#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vvd s LYS 2 N 0.00 0.83 0.20 5.55 0.00 -1.26 -4.58 119.74 120.48 1vvd s LYS 2 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 55.97 54.73 1vvd s LYS 2 Cb 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 37.83 36.91 1vvd s LYS 2 CO 0.00 0.19 0.92 0.00 0.00 0.00 0.00 175.35 176.46 1vvd s GLN 4 N -0.90 2.09 0.10 0.00 -0.21 -1.26 0.25 119.66 119.73 1vvd s GLN 4 Ca 0.41 -2.24 -0.35 0.00 0.02 0.00 0.00 55.36 53.21 1vvd s GLN 4 Cb -0.25 -1.61 -0.18 0.00 1.00 0.00 0.00 33.01 31.97 1vvd s GLN 4 CO 0.31 -0.22 0.97 -1.13 -2.12 0.00 0.00 175.29 173.09 1vvd n SER 5 N -1.14 0.11 -4.77 5.90 3.41 0.65 -4.64 113.62 113.13 1vvd n SER 5 Ca -0.12 1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 59.31 1vvd n SER 5 Cb 0.67 -1.02 0.05 0.00 -0.26 0.00 0.00 64.21 63.65 1vvd n SER 5 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1vvd s PRO 6 N -0.33 2.77 0.89 4.33 0.04 -1.26 -5.04 135.00 136.39 1vvd s PRO 6 Ca 0.79 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1vvd s PRO 6 Cb -1.06 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 31.66 1vvd s PRO 6 CO 0.55 -1.27 1.16 -1.25 0.04 0.00 0.00 177.00 176.23 1vvd s PRO 7 N -4.22 1.31 1.16 0.56 0.04 -1.26 -4.82 135.00 127.77 1vvd s PRO 7 Ca 0.66 0.18 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 1vvd s PRO 7 Cb -0.20 -1.87 0.27 0.00 0.04 0.00 0.00 34.50 32.74 1vvd s PRO 7 CO 0.43 -2.06 1.11 -1.54 0.04 0.00 0.00 177.00 174.99 1vvd s SER 8 N -4.25 1.31 0.01 6.66 1.04 -1.26 -4.66 113.70 112.56 1vvd s SER 8 Ca 0.64 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1vvd s SER 8 Cb -0.13 -1.05 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 1vvd s SER 8 CO 0.52 -3.89 0.01 2.30 0.98 0.00 0.00 173.24 173.16 1vvd n ILE 9 N -4.62 0.00 -1.33 -1.02 -5.35 -1.22 -4.97 119.36 100.86 1vvd n ILE 9 Ca 0.12 -0.07 -0.27 0.00 -0.27 0.00 0.00 62.75 62.25 1vvd n ILE 9 Cb 0.59 0.04 -0.17 0.00 -1.74 0.00 0.00 39.64 38.36 1vvd n ILE 9 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1vvd n SER 10 N -2.71 -0.62 -1.85 7.28 2.88 -1.26 -0.48 113.62 116.85 1vvd n SER 10 Ca 0.00 -0.20 -0.03 0.00 -1.33 0.00 0.00 58.87 57.31 1vvd n SER 10 Cb 0.02 -0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 62.85 1vvd n SER 10 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1vvd n ASN 11 N 6.80 -1.30 -1.28 -3.46 3.02 -1.26 -4.22 115.26 113.55 1vvd n ASN 11 Ca 0.59 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 1vvd n ASN 11 Cb 0.08 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 1vvd n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vvd n GLY 12 N -0.34 5.41 3.59 7.41 0.00 0.37 -2.72 105.19 118.91 1vvd n GLY 12 Ca -0.03 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 1vvd n GLY 12 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vvd s ARG 13 N -0.97 2.03 0.00 1.61 1.70 -1.02 -3.40 118.95 118.90 1vvd s ARG 13 Ca 0.00 -1.67 0.02 0.00 -0.47 0.00 0.00 55.73 53.61 1vvd s ARG 13 Cb 0.00 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.87 1vvd s ARG 13 CO 0.00 -0.88 -0.06 -3.38 -1.08 0.00 0.00 175.30 169.90 1vvd s HIS 14 N -2.80 0.54 -0.38 5.89 -3.43 -1.26 0.27 115.29 114.13 1vvd s HIS 14 Ca 0.26 -0.15 0.02 0.00 -0.80 0.00 0.00 55.06 54.39 1vvd s HIS 14 Cb -0.02 -0.34 0.29 0.00 -1.43 0.00 0.00 32.58 31.08 1vvd s HIS 14 CO 0.18 -0.02 1.21 -1.71 -2.00 0.00 0.00 174.74 172.40 1vvd n ASN 15 N 2.74 -1.73 0.00 7.38 4.05 -1.25 -4.84 115.26 121.60 1vvd n ASN 15 Ca -0.14 -2.37 0.00 0.00 0.45 0.00 0.00 54.58 52.52 1vvd n ASN 15 Cb 0.58 1.23 0.00 0.00 1.23 0.00 0.00 39.78 42.82 1vvd n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vvd n GLY 16 N 1.06 -2.84 0.55 8.20 0.00 -1.26 -4.90 105.19 106.00 1vvd n GLY 16 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1vvd n GLY 16 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vvd n TYR 17 N -0.42 0.00 -2.87 1.61 4.01 -1.26 -4.99 117.16 113.23 1vvd n TYR 17 Ca 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1vvd n TYR 17 Cb 0.00 0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1vvd n TYR 17 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1vvd n GLU 18 N 0.00 0.00 0.00 -0.72 0.28 -1.26 -5.08 120.64 113.86 1vvd n GLU 18 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1vvd n GLU 18 Cb 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 1vvd n GLU 18 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1vvd n ASP 19 N -0.43 2.74 -4.90 -1.84 5.75 -1.26 -4.84 116.55 111.78 1vvd n ASP 19 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.46 1vvd n ASP 19 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1vvd n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1vvd s PHE 20 N -1.87 3.48 0.00 2.11 0.08 -1.26 0.24 117.98 120.76 1vvd s PHE 20 Ca 0.00 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.57 1vvd s PHE 20 Cb 0.00 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1vvd s PHE 20 CO 0.00 0.46 0.17 0.66 -0.10 0.00 0.00 175.22 176.41 1vvd n TYR 21 N 0.16 0.00 0.00 0.36 4.02 0.69 -4.87 117.16 117.51 1vvd n TYR 21 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1vvd n TYR 21 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1vvd n TYR 21 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1vvd n THR 22 N -0.11 0.00 -3.67 -0.72 -2.24 -1.02 -4.18 114.28 102.35 1vvd n THR 22 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1vvd n THR 22 Cb 0.10 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 1vvd n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vvd s ASP 23 N -4.00 -0.67 0.00 3.42 2.15 -1.26 -2.00 116.67 114.31 1vvd s ASP 23 Ca 0.00 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.22 1vvd s ASP 23 Cb 0.00 1.22 0.00 0.00 -0.30 0.00 0.00 42.92 43.84 1vvd s ASP 23 CO 0.00 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1vvd n GLY 24 N 3.13 0.72 3.51 2.66 0.00 0.34 -4.83 105.19 110.72 1vvd n GLY 24 Ca -0.16 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1vvd n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vvd s SER 25 N -2.66 3.93 0.09 1.61 0.01 -1.04 -4.95 113.70 110.70 1vvd s SER 25 Ca 0.00 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 56.64 1vvd s SER 25 Cb 0.00 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 1vvd s SER 25 CO 0.00 0.11 -0.20 -0.69 0.41 0.00 0.00 173.24 172.87 1vvd s VAL 26 N -1.70 1.59 -0.16 3.43 1.01 -1.25 -0.17 120.40 123.14 1vvd s VAL 26 Ca 0.23 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.77 1vvd s VAL 26 Cb -0.08 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1vvd s VAL 26 CO 0.13 -0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.30 1vvd s VAL 27 N -1.13 1.90 -0.58 2.92 1.01 -0.92 -4.72 120.40 118.88 1vvd s VAL 27 Ca 0.05 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 1vvd s VAL 27 Cb -0.10 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1vvd s VAL 27 CO 0.04 0.52 1.58 -0.89 0.00 0.00 0.00 175.10 176.34 1vvd s THR 28 N 1.28 3.60 -0.04 3.92 2.01 -1.26 0.17 115.64 125.32 1vvd s THR 28 Ca 0.03 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1vvd s THR 28 Cb -0.13 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 1vvd s THR 28 CO -0.11 -1.10 1.60 -0.31 -0.69 0.00 0.00 174.62 174.01 1vvd s TYR 29 N 7.12 2.17 0.00 4.92 1.51 -1.26 -3.92 117.35 127.89 1vvd s TYR 29 Ca 0.58 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.96 1vvd s TYR 29 Cb -0.12 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.86 1vvd s TYR 29 CO 0.23 -3.57 0.00 0.43 -1.11 0.00 0.00 175.55 171.53 1vvd n SER 30 N 6.74 -0.36 -3.49 2.29 7.64 0.78 -4.77 113.62 122.45 1vvd n SER 30 Ca 0.16 -0.21 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 1vvd n SER 30 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1vvd n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vvd n ASN 32 N -0.30 1.91 -4.46 0.00 2.85 -1.10 -4.71 115.26 109.44 1vvd n ASN 32 Ca -0.12 1.03 -0.17 0.00 -0.11 0.00 0.00 54.58 55.22 1vvd n ASN 32 Cb 0.63 -1.45 -0.12 0.00 1.24 0.00 0.00 39.78 40.09 1vvd n ASN 32 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vvd n SER 33 N 0.04 1.21 0.00 1.20 2.88 -1.26 -1.27 113.62 116.42 1vvd n SER 33 Ca 0.09 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 1vvd n SER 33 Cb 0.41 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 1vvd n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vvd n GLY 34 N 5.99 0.76 3.76 0.46 0.00 -1.26 -5.13 105.19 109.77 1vvd n GLY 34 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1vvd n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vvd s TYR 35 N 0.00 3.71 0.28 1.61 2.02 -0.40 -4.83 117.35 119.75 1vvd s TYR 35 Ca 0.00 1.31 -0.27 0.00 -0.37 0.00 0.00 57.07 57.73 1vvd s TYR 35 Cb 0.00 -2.69 -0.09 0.00 -0.40 0.00 0.00 41.96 38.78 1vvd s TYR 35 CO 0.00 0.33 0.93 0.45 -1.57 0.00 0.00 175.55 175.69 1vvd s SER 36 N -0.17 7.46 -0.41 2.29 0.15 0.81 -4.58 113.70 119.25 1vvd s SER 36 Ca 0.34 1.86 -0.19 0.00 0.70 0.00 0.00 55.95 58.66 1vvd s SER 36 Cb -0.19 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1vvd s SER 36 CO 0.19 0.03 0.55 -0.22 1.20 0.00 0.00 173.24 175.00 1vvd s LEU 37 N -1.67 4.58 0.19 3.45 2.96 -1.26 -1.31 118.68 125.62 1vvd s LEU 37 Ca 0.46 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1vvd s LEU 37 Cb -0.22 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1vvd s LEU 37 CO 0.27 -0.65 0.22 -0.63 -1.32 0.00 0.00 176.35 174.24 1vvd s ILE 38 N 2.50 4.79 -0.53 6.68 -1.09 -0.84 -4.81 121.20 127.91 1vvd s ILE 38 Ca 0.18 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1vvd s ILE 38 Cb -0.15 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1vvd s ILE 38 CO 0.16 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 1vvd n GLY 39 N -0.75 0.25 2.76 6.18 0.00 -1.26 0.26 105.19 112.62 1vvd n GLY 39 Ca -0.08 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1vvd n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vvd n ASN 40 N 0.00 6.58 -2.39 1.61 2.85 -1.26 -4.92 115.26 117.72 1vvd n ASN 40 Ca 0.00 -3.75 0.00 0.00 -0.11 0.00 0.00 54.58 50.72 1vvd n ASN 40 Cb 0.00 -0.93 0.00 0.00 1.24 0.00 0.00 39.78 40.09 1vvd n ASN 40 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1vvd n SER 41 N -0.32 0.00 0.00 1.20 3.41 -1.26 -4.60 113.62 112.05 1vvd n SER 41 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1vvd n SER 41 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1vvd n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vvd n GLY 42 N -0.69 2.65 3.15 5.00 0.00 -1.25 -4.47 105.19 109.59 1vvd n GLY 42 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1vvd n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vvd n VAL 43 N 0.00 0.00 -3.45 1.61 0.31 0.46 -4.53 118.33 112.73 1vvd n VAL 43 Ca 0.00 -0.46 -0.22 0.00 -0.01 0.00 0.00 64.34 63.65 1vvd n VAL 43 Cb 0.00 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 1vvd n VAL 43 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1vvd s LEU 44 N 0.00 0.18 -0.42 7.52 2.96 0.79 -2.17 118.68 127.54 1vvd s LEU 44 Ca 0.64 -1.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.08 1vvd s LEU 44 Cb -0.06 0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.79 1vvd s LEU 44 CO 0.49 -0.38 0.96 0.00 -1.32 0.00 0.00 176.35 176.09 1vvd s SER 46 N 2.12 4.25 0.00 0.00 0.01 -0.04 0.13 113.70 120.16 1vvd s SER 46 Ca 0.39 -2.61 0.00 0.00 1.31 0.00 0.00 55.95 55.04 1vvd s SER 46 Cb -0.11 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1vvd s SER 46 CO 0.24 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1vvd n GLY 47 N 3.62 0.79 2.25 3.44 0.00 -1.25 -3.95 105.19 110.09 1vvd n GLY 47 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1vvd n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vvd n GLY 48 N -0.98 -0.07 2.68 -0.02 0.00 -1.21 -4.89 105.19 100.71 1vvd n GLY 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1vvd n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vvd s GLU 49 N -4.39 0.44 0.17 1.61 2.02 -1.25 -4.93 118.70 112.37 1vvd s GLU 49 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1vvd s GLU 49 Cb 0.00 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 1vvd s GLU 49 CO 0.00 -0.69 1.13 -1.58 0.02 0.00 0.00 175.26 174.14 1vvd s TRP 50 N 1.95 3.54 0.06 1.61 0.52 -1.26 -0.86 118.94 124.49 1vvd s TRP 50 Ca 0.01 1.54 -0.06 0.00 0.02 0.00 0.00 56.10 57.61 1vvd s TRP 50 Cb -0.17 -3.32 -0.01 0.00 -1.15 0.00 0.00 33.47 28.82 1vvd s TRP 50 CO -0.11 -0.79 0.10 -1.12 0.02 0.00 0.00 176.95 175.06 1vvd s SER 51 N 0.02 0.22 -0.75 2.95 0.01 0.20 -4.91 113.70 111.43 1vvd s SER 51 Ca 0.51 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 1vvd s SER 51 Cb -0.30 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1vvd s SER 51 CO 0.35 -0.60 0.68 -0.67 0.41 0.00 0.00 173.24 173.40 1vvd n ASP 52 N 0.35 -6.25 -4.76 2.44 2.03 -1.26 -0.15 116.55 108.96 1vvd n ASP 52 Ca -0.17 -0.35 -0.38 0.00 0.52 0.00 0.00 54.79 54.41 1vvd n ASP 52 Cb 0.60 -4.46 -0.06 0.00 -0.72 0.00 0.00 41.12 36.49 1vvd n ASP 52 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1vvd s PRO 53 N -3.64 4.22 1.03 -0.67 0.04 -1.26 -4.10 135.00 130.63 1vvd s PRO 53 Ca 0.21 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.54 1vvd s PRO 53 Cb -0.03 -3.36 0.22 0.00 0.04 0.00 0.00 34.50 31.37 1vvd s PRO 53 CO 0.61 0.34 1.22 -1.25 0.04 0.00 0.00 177.00 177.97 1vvd s PRO 54 N 0.03 0.09 0.32 0.56 0.04 -1.26 -4.86 135.00 129.93 1vvd s PRO 54 Ca 0.25 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.12 1vvd s PRO 54 Cb -0.16 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1vvd s PRO 54 CO 0.12 -2.81 0.21 0.25 0.04 0.00 0.00 177.00 174.80 1vvd n THR 55 N -4.10 0.00 -3.17 1.26 -2.24 0.72 -4.85 114.28 101.91 1vvd n THR 55 Ca 0.13 -1.31 -0.21 0.00 -2.27 0.00 0.00 64.05 60.39 1vvd n THR 55 Cb 0.59 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1vvd n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vvd n GLN 57 N 2.18 3.68 -4.76 0.00 10.64 -0.43 -4.71 117.38 123.98 1vvd n GLN 57 Ca 0.23 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 55.07 1vvd n GLN 57 Cb 0.53 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.76 1vvd n GLN 57 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1vvd s ILE 58 N 1.47 3.10 -0.42 -0.39 1.09 -1.26 0.28 121.20 125.08 1vvd s ILE 58 Ca 0.00 -0.65 0.05 0.00 -1.10 0.00 0.00 60.65 58.96 1vvd s ILE 58 Cb 0.00 -2.30 0.43 0.00 -1.06 0.00 0.00 42.46 39.53 1vvd s ILE 58 CO 0.00 0.53 1.21 1.33 -0.10 0.00 0.00 174.94 177.90 1vvd n VAL 59 N 3.47 2.52 -0.14 2.92 0.24 -1.26 -3.98 118.33 122.10 1vvd n VAL 59 Ca -0.18 -4.62 -0.14 0.00 -2.04 0.00 0.00 64.34 57.36 1vvd n VAL 59 Cb 0.53 -1.22 0.14 0.00 -1.47 0.00 0.00 33.84 31.81 1vvd n VAL 59 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vvd n LYS 60 N -0.57 -3.01 -4.14 7.34 5.02 -1.26 -3.39 118.16 118.16 1vvd n LYS 60 Ca 0.42 -0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 55.92 1vvd n LYS 60 Cb 0.74 -0.94 -0.09 0.00 -0.02 0.00 0.00 35.03 34.72 1vvd n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vvd n PRO 62 N -0.19 0.02 0.00 0.00 -0.04 -1.26 -4.70 135.00 128.83 1vvd n PRO 62 Ca -0.03 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1vvd n PRO 62 Cb 0.64 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 1vvd n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1vvd n HIS 63 N -2.38 0.00 -2.40 0.54 8.25 -1.26 -4.97 115.22 112.99 1vvd n HIS 63 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1vvd n HIS 63 Cb 0.01 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 1vvd n HIS 63 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1vvd s PRO 64 N 0.00 3.47 0.48 -0.41 0.04 -1.26 -4.93 135.00 132.39 1vvd s PRO 64 Ca 0.00 -1.70 0.08 0.00 0.04 0.00 0.00 61.00 59.42 1vvd s PRO 64 Cb 0.00 -5.44 0.03 0.00 0.04 0.00 0.00 34.50 29.14 1vvd s PRO 64 CO 0.00 -2.86 0.57 0.95 0.04 0.00 0.00 177.00 175.71 1vvd s THR 65 N 6.59 2.48 0.03 1.26 -4.23 -1.26 -4.62 115.64 115.88 1vvd s THR 65 Ca 0.59 -1.15 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1vvd s THR 65 Cb 0.02 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.34 1vvd s THR 65 CO 0.10 0.00 1.05 -0.51 -0.54 0.00 0.00 174.62 174.72 1vvd s ILE 66 N -2.53 0.00 -0.50 2.99 2.07 -1.26 -4.72 121.20 117.25 1vvd s ILE 66 Ca 0.53 -0.32 -0.28 0.00 -1.41 0.00 0.00 60.65 59.17 1vvd s ILE 66 Cb -0.06 -1.63 0.01 0.00 0.13 0.00 0.00 42.46 40.91 1vvd s ILE 66 CO 0.32 0.00 1.42 -0.55 -1.91 0.00 0.00 174.94 174.22 1vvd s SER 67 N -2.75 6.20 -1.28 4.50 0.15 -1.26 -4.10 113.70 115.17 1vvd s SER 67 Ca 0.11 0.50 -0.20 0.00 0.70 0.00 0.00 55.95 57.06 1vvd s SER 67 Cb 0.00 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1vvd s SER 67 CO -0.03 -1.61 0.38 0.59 1.20 0.00 0.00 173.24 173.77 1vvd n ASN 68 N 9.32 -1.89 -1.06 5.45 3.02 -1.26 -2.29 115.26 126.54 1vvd n ASN 68 Ca 0.14 -1.23 -0.03 0.00 -0.03 0.00 0.00 54.58 53.43 1vvd n ASN 68 Cb 0.49 -1.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.15 1vvd n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vvd n GLY 69 N -2.24 0.20 1.24 7.41 0.00 -1.26 -1.64 105.19 108.91 1vvd n GLY 69 Ca -0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1vvd n GLY 69 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vvd n TYR 70 N -0.18 -1.14 -3.74 1.61 0.18 -1.23 -2.97 117.16 109.69 1vvd n TYR 70 Ca -0.15 0.12 -0.36 0.00 1.88 0.00 0.00 57.90 59.40 1vvd n TYR 70 Cb 0.55 -0.58 -0.09 0.00 -0.38 0.00 0.00 39.34 38.83 1vvd n TYR 70 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 1vvd s LEU 71 N 0.00 4.06 0.00 -3.48 0.05 -1.26 0.32 118.68 118.37 1vvd s LEU 71 Ca 0.08 0.12 0.24 0.00 0.05 0.00 0.00 54.13 54.61 1vvd s LEU 71 Cb -0.01 -2.07 0.51 0.00 -2.05 0.00 0.00 46.19 42.57 1vvd s LEU 71 CO 0.06 0.11 1.44 -1.54 -0.55 0.00 0.00 176.35 175.87 1vvd n SER 72 N 4.01 2.66 0.00 1.48 3.41 -1.00 -4.55 113.62 119.62 1vvd n SER 72 Ca -0.16 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1vvd n SER 72 Cb 0.52 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1vvd n SER 72 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vvd n SER 73 N 1.01 0.00 -3.09 4.04 2.88 -1.25 -4.96 113.62 112.26 1vvd n SER 73 Ca 0.17 0.48 0.04 0.00 -1.33 0.00 0.00 58.87 58.23 1vvd n SER 73 Cb 0.51 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1vvd n SER 73 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1vvd s GLY 74 N -1.26 -1.13 0.08 0.46 0.00 -1.26 -5.03 107.32 99.18 1vvd s GLY 74 Ca 0.00 1.62 -0.10 0.00 0.00 0.00 0.00 44.72 46.24 1vvd s GLY 74 CO 0.00 4.02 0.40 -0.12 0.00 0.00 0.00 173.10 177.40 1vvd s PHE 75 N 2.69 3.58 0.15 1.90 2.19 -1.26 -4.88 117.98 122.35 1vvd s PHE 75 Ca 0.21 0.79 0.04 0.00 0.33 0.00 0.00 56.93 58.30 1vvd s PHE 75 Cb -0.03 -2.16 -0.04 0.00 -1.31 0.00 0.00 43.02 39.48 1vvd s PHE 75 CO -0.21 0.52 -0.08 0.21 1.83 0.00 0.00 175.22 177.49 1vvd s LYS 76 N -1.91 1.05 0.44 10.12 2.20 -1.26 -5.02 119.74 125.36 1vvd s LYS 76 Ca 0.33 -1.46 0.19 0.00 -0.36 0.00 0.00 55.97 54.68 1vvd s LYS 76 Cb -0.14 -0.54 1.14 0.00 -1.51 0.00 0.00 37.83 36.78 1vvd s LYS 76 CO 0.18 0.03 1.88 0.00 -0.36 0.00 0.00 175.35 177.08 1vvd h ARG 77 N 2.78 0.33 -4.29 4.03 3.08 -1.99 -3.43 114.38 114.89 1vvd h ARG 77 Ca -0.36 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.50 1vvd h ARG 77 Cb 1.19 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 31.02 1vvd h ARG 77 CO 0.64 0.22 -0.56 -1.12 -1.07 0.00 0.00 179.97 178.08 1vvd s SER 78 N -5.72 0.23 0.00 7.04 0.01 -1.26 -4.95 113.70 109.05 1vvd s SER 78 Ca -0.08 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1vvd s SER 78 Cb 0.22 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1vvd s SER 78 CO 0.78 -0.78 0.00 -1.22 0.41 0.00 0.00 173.24 172.43 1vvd n TYR 79 N -0.14 0.00 0.00 2.43 4.02 -1.26 -4.99 117.16 117.23 1vvd n TYR 79 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1vvd n TYR 79 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1vvd n TYR 79 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1vvd n SER 80 N 0.00 0.61 -2.26 7.72 3.41 -1.23 -4.37 113.62 117.50 1vvd n SER 80 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1vvd n SER 80 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1vvd n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vvd n TYR 81 N 0.00 3.12 0.00 7.33 9.36 -1.17 -3.92 117.16 131.88 1vvd n TYR 81 Ca 0.00 -2.76 0.00 0.00 3.32 0.00 0.00 57.90 58.46 1vvd n TYR 81 Cb 0.00 -1.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.44 1vvd n TYR 81 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1vvd n ASN 82 N -0.94 0.00 -3.43 2.98 0.23 0.91 -4.62 115.26 110.39 1vvd n ASN 82 Ca 0.60 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 54.37 1vvd n ASN 82 Cb 0.85 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.57 1vvd n ASN 82 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1vvd n ASP 83 N 0.00 -5.91 -4.62 0.53 8.00 -1.26 0.26 116.55 113.54 1vvd n ASP 83 Ca 0.00 -0.21 -0.43 0.00 0.71 0.00 0.00 54.79 54.86 1vvd n ASP 83 Cb 0.00 -2.51 -0.02 0.00 -0.02 0.00 0.00 41.12 38.57 1vvd n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1vvd s ASN 84 N -2.09 6.55 -0.27 -2.24 4.22 -1.26 -3.04 114.94 116.82 1vvd s ASN 84 Ca 0.26 1.12 -0.10 0.00 -2.14 0.00 0.00 52.86 52.00 1vvd s ASN 84 Cb -0.03 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 39.91 1vvd s ASN 84 CO 0.86 -1.20 0.15 0.68 -2.04 0.00 0.00 177.10 175.55 1vvd s VAL 85 N 4.76 5.06 -0.05 3.54 -7.23 0.73 -4.84 120.40 122.37 1vvd s VAL 85 Ca 0.59 0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 1vvd s VAL 85 Cb -0.16 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 1vvd s VAL 85 CO 0.26 0.29 1.14 -0.62 -0.31 0.00 0.00 175.10 175.86 1vvd s ASP 86 N 1.61 7.12 -0.14 4.85 2.15 -1.26 -1.33 116.67 129.66 1vvd s ASP 86 Ca 0.07 1.77 -0.23 0.00 0.43 0.00 0.00 52.55 54.58 1vvd s ASP 86 Cb -0.15 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 1vvd s ASP 86 CO 0.08 -0.51 0.71 -0.36 -0.17 0.00 0.00 175.17 174.92 1vvd s PHE 87 N 1.92 3.46 -0.37 -5.34 0.08 0.90 -2.37 117.98 116.27 1vvd s PHE 87 Ca 0.54 1.13 -0.11 0.00 0.12 0.00 0.00 56.93 58.62 1vvd s PHE 87 Cb -0.24 -2.85 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 1vvd s PHE 87 CO 0.23 -0.09 0.20 0.21 -0.10 0.00 0.00 175.22 175.67 1vvd s LYS 88 N 1.55 2.90 0.25 0.44 2.20 0.94 -4.78 119.74 123.24 1vvd s LYS 88 Ca 0.34 -1.03 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 1vvd s LYS 88 Cb -0.17 -3.71 -0.12 0.00 -1.51 0.00 0.00 37.83 32.32 1vvd s LYS 88 CO 0.14 -0.66 1.60 0.00 -0.36 0.00 0.00 175.35 176.07 1vvd h LYS 90 N 5.38 -0.04 -1.17 0.00 3.64 -1.61 -3.46 116.57 119.32 1vvd h LYS 90 Ca -0.45 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1vvd h LYS 90 Cb 1.23 0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 32.74 1vvd h LYS 90 CO 0.84 -0.03 0.77 0.71 -2.27 0.00 0.00 179.45 179.47 1vvd s TYR 91 N -3.64 -0.15 -1.14 1.91 2.02 -1.26 -5.01 117.35 110.09 1vvd s TYR 91 Ca -0.03 0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.88 1vvd s TYR 91 Cb 0.02 0.36 -0.03 0.00 -0.40 0.00 0.00 41.96 41.92 1vvd s TYR 91 CO 0.15 -0.07 0.82 0.41 -1.57 0.00 0.00 175.55 175.30 1vvd n GLY 92 N 2.13 -0.93 3.48 0.71 0.00 -1.26 -4.99 105.19 104.33 1vvd n GLY 92 Ca -0.13 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1vvd n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vvd s TYR 93 N -3.47 -0.52 -0.20 1.61 2.02 -1.26 -4.82 117.35 110.71 1vvd s TYR 93 Ca 0.39 0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 57.64 1vvd s TYR 93 Cb -0.10 0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.94 1vvd s TYR 93 CO 0.81 -0.67 -0.03 0.15 -1.57 0.00 0.00 175.55 174.24 1vvd s LYS 94 N -2.56 3.52 -0.90 -0.62 3.01 0.66 -4.74 119.74 118.11 1vvd s LYS 94 Ca -0.02 -0.57 -0.25 0.00 -1.01 0.00 0.00 55.97 54.11 1vvd s LYS 94 Cb -0.01 -3.00 -0.12 0.00 -1.01 0.00 0.00 37.83 33.69 1vvd s LYS 94 CO -0.04 -0.01 2.20 -0.51 0.51 0.00 0.00 175.35 177.50 1vvd s LEU 95 N 1.03 2.88 -0.48 3.17 1.43 -1.25 -0.23 118.68 125.23 1vvd s LEU 95 Ca 0.01 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 1vvd s LEU 95 Cb -0.15 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 1vvd s LEU 95 CO 0.01 -3.65 1.80 -0.55 0.23 0.00 0.00 176.35 174.19 1vvd s SER 96 N 9.36 5.60 0.00 2.29 0.15 0.34 -3.91 113.70 127.54 1vvd s SER 96 Ca 0.83 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1vvd s SER 96 Cb -0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1vvd s SER 96 CO 0.07 -2.03 0.00 0.61 1.20 0.00 0.00 173.24 173.09 1vvd n GLY 97 N 5.53 1.03 3.52 9.45 0.00 -1.26 -0.36 105.19 123.10 1vvd n GLY 97 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1vvd n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vvd s SER 98 N -4.00 -0.54 0.00 1.61 0.15 -1.25 -4.87 113.70 104.80 1vvd s SER 98 Ca 0.00 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1vvd s SER 98 Cb 0.00 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 1vvd s SER 98 CO 0.00 -0.12 0.51 -1.54 1.20 0.00 0.00 173.24 173.29 1vvd n SER 99 N 4.37 0.00 -4.65 5.45 3.41 -1.26 -3.08 113.62 117.85 1vvd n SER 99 Ca -0.14 0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 58.72 1vvd n SER 99 Cb 0.55 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1vvd n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1vvd s SER 100 N -2.24 6.95 0.20 4.04 1.04 -1.26 -0.07 113.70 122.37 1vvd s SER 100 Ca 0.00 1.35 0.09 0.00 0.48 0.00 0.00 55.95 57.86 1vvd s SER 100 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1vvd s SER 100 CO 0.00 -0.81 -0.16 -0.44 0.98 0.00 0.00 173.24 172.81 1vvd s SER 101 N 1.75 2.74 0.01 7.02 0.01 -0.45 -4.60 113.70 120.17 1vvd s SER 101 Ca 0.49 -0.97 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1vvd s SER 101 Cb -0.16 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1vvd s SER 101 CO 0.13 -0.10 -0.07 -0.89 0.41 0.00 0.00 173.24 172.72 1vvd s THR 102 N -2.62 0.54 -0.44 1.44 2.01 0.01 0.26 115.64 116.83 1vvd s THR 102 Ca 0.21 -0.46 -0.27 0.00 0.31 0.00 0.00 61.69 61.47 1vvd s THR 102 Cb -0.03 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1vvd s THR 102 CO 0.08 0.03 1.88 0.00 -0.69 0.00 0.00 174.62 175.92 1vvd n SER 104 N 11.68 -0.45 -4.69 0.00 3.41 -1.25 0.31 113.62 122.64 1vvd n SER 104 Ca 0.23 -1.13 -0.40 0.00 -0.26 0.00 0.00 58.87 57.31 1vvd n SER 104 Cb 0.49 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1vvd n SER 104 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1vvd s PRO 105 N -4.46 4.32 0.00 4.33 0.04 -1.26 -3.84 135.00 134.12 1vvd s PRO 105 Ca 0.39 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1vvd s PRO 105 Cb -0.02 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1vvd s PRO 105 CO 0.28 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1vvd n GLY 106 N 3.45 1.08 1.27 0.56 0.00 -1.26 -4.92 105.19 105.37 1vvd n GLY 106 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1vvd n GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vvd n ASN 107 N 0.00 -2.15 0.00 1.61 0.23 -1.11 -4.94 115.26 108.89 1vvd n ASN 107 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1vvd n ASN 107 Cb 0.00 -1.18 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 1vvd n ASN 107 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1vvd n THR 108 N 0.08 0.00 -3.37 5.53 -2.24 -1.26 -4.77 114.28 108.25 1vvd n THR 108 Ca -0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1vvd n THR 108 Cb 0.01 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.15 1vvd n THR 108 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1vvd s TRP 109 N -3.00 0.16 -0.12 4.78 0.52 -1.26 -3.77 118.94 116.25 1vvd s TRP 109 Ca 0.00 -1.30 -0.09 0.00 0.02 0.00 0.00 56.10 54.73 1vvd s TRP 109 Cb 0.00 -0.60 -0.05 0.00 -1.15 0.00 0.00 33.47 31.67 1vvd s TRP 109 CO 0.00 -0.92 0.20 0.15 0.02 0.00 0.00 176.95 176.40 1vvd s LYS 110 N 1.07 3.74 0.93 4.98 -0.14 -0.57 -2.72 119.74 127.02 1vvd s LYS 110 Ca 0.20 -0.04 -0.12 0.00 -1.36 0.00 0.00 55.97 54.66 1vvd s LYS 110 Cb -0.14 -3.26 0.15 0.00 -1.68 0.00 0.00 37.83 32.89 1vvd s LYS 110 CO -0.04 0.62 1.09 -1.25 -0.76 0.00 0.00 175.35 175.01 1vvd s PRO 111 N -0.62 1.02 0.61 -1.68 0.04 -1.26 -0.81 135.00 132.30 1vvd s PRO 111 Ca 0.15 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 1vvd s PRO 111 Cb -0.13 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1vvd s PRO 111 CO 0.04 -2.39 -0.32 -1.91 0.04 0.00 0.00 177.00 172.47 1vvd n GLU 112 N -3.97 0.00 -2.00 4.56 4.07 -1.10 -4.75 120.64 117.44 1vvd n GLU 112 Ca 0.06 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.76 1vvd n GLU 112 Cb 0.56 -0.93 -0.01 0.00 -0.06 0.00 0.00 31.44 31.01 1vvd n GLU 112 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1vvd s LEU 113 N 5.53 4.27 0.86 4.31 2.01 -1.24 -3.98 118.68 130.43 1vvd s LEU 113 Ca 0.48 2.75 -0.12 0.00 0.01 0.00 0.00 54.13 57.25 1vvd s LEU 113 Cb -0.37 -3.81 0.10 0.00 0.01 0.00 0.00 46.19 42.13 1vvd s LEU 113 CO 0.66 -0.81 1.10 -2.16 1.01 0.00 0.00 176.35 176.15 1vvd s PRO 114 N -2.13 1.59 -0.24 1.29 0.04 -1.18 -4.45 135.00 129.92 1vvd s PRO 114 Ca 0.55 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 1vvd s PRO 114 Cb -0.40 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.35 1vvd s PRO 114 CO 0.53 -1.98 0.01 0.21 0.04 0.00 0.00 177.00 175.81 1vvd s LYS 115 N -5.04 1.14 -1.01 4.56 2.20 0.51 -4.14 119.74 117.97 1vvd s LYS 115 Ca 0.62 -0.89 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 1vvd s LYS 115 Cb -0.16 -2.36 -0.19 0.00 -1.51 0.00 0.00 37.83 33.60 1vvd s LYS 115 CO 0.56 -0.71 2.18 0.00 -0.36 0.00 0.00 175.35 177.02 1vvd n VAL 117 N 8.90 0.00 0.73 0.00 0.24 0.68 -4.65 118.33 124.22 1vvd n VAL 117 Ca 0.43 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.82 1vvd n VAL 117 Cb 0.46 -0.91 0.07 0.00 -1.47 0.00 0.00 33.84 31.99 1vvd n VAL 117 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23