#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee n SER 2 N 0.00 0.23 -4.55 1.61 7.64 -1.26 -4.93 113.62 112.35 1vee n SER 2 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1vee n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1vee n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vee s SER 3 N -3.51 6.52 0.00 6.43 1.04 -1.26 -4.61 113.70 118.32 1vee s SER 3 Ca 0.00 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.91 1vee s SER 3 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1vee s SER 3 CO 0.00 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.36 1vee n GLY 4 N 6.75 4.09 2.69 7.32 0.00 -1.26 -4.98 105.19 119.80 1vee n GLY 4 Ca 0.33 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1vee n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vee n SER 5 N 0.00 2.36 -4.82 1.61 7.64 -1.26 -4.92 113.62 114.24 1vee n SER 5 Ca 0.00 -2.08 -0.30 0.00 1.01 0.00 0.00 58.87 57.49 1vee n SER 5 Cb 0.00 -0.72 0.07 0.00 -1.01 0.00 0.00 64.21 62.54 1vee n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vee s SER 6 N 3.82 5.04 0.00 6.43 1.04 -1.26 -2.93 113.70 125.84 1vee s SER 6 Ca 0.21 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1vee s SER 6 Cb 0.06 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1vee s SER 6 CO -0.01 -1.64 0.00 0.61 0.98 0.00 0.00 173.24 173.18 1vee n GLY 7 N -2.14 -0.88 3.22 7.32 0.00 -1.24 -4.93 105.19 106.54 1vee n GLY 7 Ca 0.07 0.66 -0.09 0.00 0.00 0.00 0.00 46.02 46.67 1vee n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 8 N 2.00 0.10 0.08 1.61 0.01 -1.26 -4.36 113.70 111.88 1vee s SER 8 Ca 0.00 -0.65 -0.31 0.00 1.31 0.00 0.00 55.95 56.30 1vee s SER 8 Cb 0.00 0.35 -0.18 0.00 0.21 0.00 0.00 66.02 66.40 1vee s SER 8 CO 0.00 -0.74 1.64 0.00 0.41 0.00 0.00 173.24 174.55 1vee h ALA 9 N 2.72 -0.74 -0.32 1.44 0.00 -1.77 -1.46 119.26 119.13 1vee h ALA 9 Ca -0.34 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1vee h ALA 9 Cb 1.20 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1vee h ALA 9 CO 0.55 -0.92 -0.07 0.87 0.00 0.00 0.00 179.25 179.69 1vee h LYS 10 N -0.74 0.01 -0.11 0.00 1.57 -1.88 -0.86 116.57 114.57 1vee h LYS 10 Ca -0.07 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1vee h LYS 10 Cb 0.58 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1vee h LYS 10 CO 0.10 0.01 -0.06 -0.97 -0.57 0.00 0.00 179.45 177.96 1vee h ASN 11 N 0.01 -0.19 -0.91 0.86 -1.24 -1.96 -1.37 115.58 110.77 1vee h ASN 11 Ca 0.16 0.05 0.05 0.00 0.71 0.00 0.00 56.30 57.26 1vee h ASN 11 Cb 0.23 0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.33 1vee h ASN 11 CO -0.32 -0.08 0.60 0.00 -1.29 0.00 0.00 177.43 176.33 1vee h ALA 12 N 1.04 1.46 -0.13 1.57 0.00 -0.75 -0.46 119.26 122.01 1vee h ALA 12 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vee h ALA 12 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1vee h ALA 12 CO -0.14 0.42 0.04 -0.92 0.00 0.00 0.00 179.25 178.65 1vee h TYR 13 N 1.09 0.21 -0.80 0.00 3.20 -0.64 -2.62 116.97 117.41 1vee h TYR 13 Ca 0.38 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.27 1vee h TYR 13 Cb 0.11 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 1vee h TYR 13 CO -0.00 0.32 0.50 1.15 -1.64 0.00 0.00 178.16 178.50 1vee h THR 14 N 0.03 1.09 -0.37 1.81 2.02 -0.66 -2.15 112.91 114.68 1vee h THR 14 Ca 0.04 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1vee h THR 14 Cb 0.21 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1vee h THR 14 CO -0.00 0.18 0.12 0.11 0.37 0.00 0.00 175.52 176.29 1vee h LYS 15 N 0.96 0.53 -0.65 6.66 1.79 -0.88 -1.15 116.57 123.84 1vee h LYS 15 Ca 0.33 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1vee h LYS 15 Cb 0.06 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1vee h LYS 15 CO -0.13 0.47 0.37 -0.07 -1.08 0.00 0.00 179.45 179.01 1vee h LEU 16 N 0.53 0.80 0.00 2.94 3.38 -1.03 0.15 115.31 122.09 1vee h LEU 16 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vee h LEU 16 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1vee h LEU 16 CO -0.01 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1vee n GLY 17 N -1.10 -0.43 0.00 0.83 0.00 -0.47 -2.20 105.19 101.81 1vee n GLY 17 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1vee n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vee n THR 18 N -1.02 0.00 -3.91 2.61 -1.04 -0.47 -5.00 114.28 105.45 1vee n THR 18 Ca 0.09 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.80 1vee n THR 18 Cb 0.05 0.50 -0.16 0.00 -1.82 0.00 0.00 70.33 68.90 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1vee s ASP 19 N -1.96 3.33 0.23 8.00 2.15 -0.08 -5.00 116.67 123.33 1vee s ASP 19 Ca 0.00 -0.92 -0.07 0.00 0.43 0.00 0.00 52.55 51.99 1vee s ASP 19 Cb 0.00 -1.03 0.20 0.00 -0.30 0.00 0.00 42.92 41.79 1vee s ASP 19 CO 0.00 -0.21 1.86 0.44 -0.17 0.00 0.00 175.17 177.09 1vee h ASP 20 N 8.05 1.09 0.87 -0.34 3.32 -1.90 -1.89 116.42 125.62 1vee h ASP 20 Ca -0.21 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1vee h ASP 20 Cb 1.09 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1vee h ASP 20 CO 0.41 0.86 0.00 0.59 -1.72 0.00 0.00 179.24 179.38 1vee n ASN 21 N -4.37 0.42 -4.77 6.45 4.13 -1.26 -4.76 115.26 111.10 1vee n ASN 21 Ca 0.09 0.58 -0.38 0.00 1.68 0.00 0.00 54.58 56.55 1vee n ASN 21 Cb 0.08 -0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 37.59 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vee s ALA 22 N -3.14 3.25 0.04 5.41 0.00 -0.71 -1.70 121.76 124.90 1vee s ALA 22 Ca 0.08 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 1vee s ALA 22 Cb 0.11 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1vee s ALA 22 CO 0.42 0.03 -0.03 -0.65 0.00 0.00 0.00 175.76 175.53 1vee s GLN 23 N -1.86 0.50 -0.14 0.00 -1.52 0.58 -4.88 119.66 112.34 1vee s GLN 23 Ca 0.49 -0.96 -0.05 0.00 -1.95 0.00 0.00 55.36 52.88 1vee s GLN 23 Cb -0.23 0.13 -0.04 0.00 -0.22 0.00 0.00 33.01 32.65 1vee s GLN 23 CO 0.30 -0.07 0.05 -1.17 -0.25 0.00 0.00 175.29 174.14 1vee s LEU 24 N -2.29 3.78 -0.24 2.90 0.20 -1.26 -0.74 118.68 121.02 1vee s LEU 24 Ca -0.03 0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.94 1vee s LEU 24 Cb -0.00 -1.92 0.07 0.00 -0.43 0.00 0.00 46.19 43.91 1vee s LEU 24 CO -0.06 0.27 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.04 1vee s LEU 25 N -0.23 2.49 -0.31 -0.68 2.96 0.05 -2.41 118.68 120.55 1vee s LEU 25 Ca 0.07 -1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 52.47 1vee s LEU 25 Cb -0.12 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.48 1vee s LEU 25 CO 0.02 -0.27 1.01 -1.81 -1.32 0.00 0.00 176.35 173.98 1vee s ASP 26 N 1.45 6.89 0.00 3.68 1.01 0.17 -1.07 116.67 128.79 1vee s ASP 26 Ca -0.03 1.00 0.18 0.00 0.71 0.00 0.00 52.55 54.41 1vee s ASP 26 Cb -0.18 -2.52 0.36 0.00 1.01 0.00 0.00 42.92 41.59 1vee s ASP 26 CO -0.08 -0.81 1.28 2.30 0.21 0.00 0.00 175.17 178.07 1vee n ILE 27 N 5.75 0.60 -1.11 0.77 -5.35 -0.24 -1.26 119.36 118.52 1vee n ILE 27 Ca 0.10 -0.80 -0.31 0.00 -0.27 0.00 0.00 62.75 61.48 1vee n ILE 27 Cb 0.47 0.85 0.12 0.00 -1.74 0.00 0.00 39.64 39.35 1vee n ILE 27 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1vee s ARG 28 N -1.21 1.69 0.44 6.28 0.52 -1.26 -3.17 118.95 122.25 1vee s ARG 28 Ca 0.31 1.17 -0.24 0.00 -0.52 0.00 0.00 55.73 56.45 1vee s ARG 28 Cb 0.18 -1.83 -0.08 0.00 0.52 0.00 0.00 34.95 33.74 1vee s ARG 28 CO 0.25 -2.04 1.24 0.00 0.02 0.00 0.00 175.30 174.77 1vee s ALA 29 N -2.84 3.10 0.59 2.13 0.00 -1.26 -4.15 121.76 119.33 1vee s ALA 29 Ca 0.63 1.10 0.29 0.00 0.00 0.00 0.00 51.96 53.98 1vee s ALA 29 Cb -0.19 -3.44 1.56 0.00 0.00 0.00 0.00 23.12 21.05 1vee s ALA 29 CO 0.57 -0.78 1.98 1.15 0.00 0.00 0.00 175.76 178.68 1vee h THR 30 N 2.13 0.39 -0.65 0.00 2.02 -1.99 -0.23 112.91 114.57 1vee h THR 30 Ca -0.49 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 1vee h THR 30 Cb 1.25 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1vee h THR 30 CO 0.61 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.65 1vee h ALA 31 N 1.57 1.03 0.00 6.16 0.00 -2.01 -2.20 119.26 123.82 1vee h ALA 31 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1vee h ALA 31 Cb 0.87 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1vee h ALA 31 CO -0.00 0.63 -0.13 -0.44 0.00 0.00 0.00 179.25 179.31 1vee h ASP 32 N 0.99 0.00 0.26 0.00 5.19 -1.39 -1.22 116.42 120.24 1vee h ASP 32 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1vee h ASP 32 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1vee h ASP 32 CO 0.00 0.13 0.00 -0.26 -3.12 0.00 0.00 179.24 175.99 1vee h PHE 33 N 0.00 0.00 0.00 4.55 -1.00 -1.46 0.23 116.94 119.26 1vee h PHE 33 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1vee h PHE 33 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1vee h PHE 33 CO 0.00 0.00 -1.57 0.54 -1.61 0.00 0.00 178.31 175.67 1vee n ARG 34 N -2.64 0.70 -0.04 1.51 1.74 -0.51 -3.58 116.66 113.85 1vee n ARG 34 Ca -0.01 -0.12 0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1vee n ARG 34 Cb 0.11 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 30.04 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vee n GLN 35 N -1.95 0.70 0.00 5.56 6.02 -0.40 -4.77 117.38 122.55 1vee n GLN 35 Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1vee n GLN 35 Cb 0.39 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1vee n GLN 35 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1vee n VAL 36 N -2.43 0.00 0.00 5.09 3.14 0.67 -5.00 118.33 119.81 1vee n VAL 36 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1vee n VAL 36 Cb 0.78 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 1vee n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vee n GLY 37 N 1.00 1.04 3.36 7.55 0.00 -0.99 -4.27 105.19 112.87 1vee n GLY 37 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1vee n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 38 N -4.00 -0.37 0.95 1.61 0.01 -0.48 -4.11 113.70 107.31 1vee s SER 38 Ca 0.00 -0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.03 1vee s SER 38 Cb 0.00 0.50 0.17 0.00 0.21 0.00 0.00 66.02 66.90 1vee s SER 38 CO 0.00 -0.82 1.22 -2.16 0.41 0.00 0.00 173.24 171.89 1vee s PRO 39 N -3.28 0.77 0.04 12.44 0.04 -1.26 -0.28 135.00 143.47 1vee s PRO 39 Ca -0.01 -0.10 0.01 0.00 0.04 0.00 0.00 61.00 60.95 1vee s PRO 39 Cb 0.00 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1vee s PRO 39 CO -0.08 -2.38 -0.06 0.54 0.04 0.00 0.00 177.00 175.06 1vee s ASN 40 N -4.50 0.68 0.00 6.66 2.20 -1.24 -4.56 114.94 114.18 1vee s ASN 40 Ca 0.69 -0.59 0.00 0.00 -0.94 0.00 0.00 52.86 52.02 1vee s ASN 40 Cb -0.09 0.07 0.00 0.00 -2.00 0.00 0.00 41.25 39.23 1vee s ASN 40 CO 0.53 -0.27 0.43 2.30 -2.94 0.00 0.00 177.10 177.15 1vee n ILE 41 N 1.34 0.00 0.14 0.54 -5.35 -1.26 -4.80 119.36 109.97 1vee n ILE 41 Ca -0.22 -0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.38 1vee n ILE 41 Cb 0.55 1.14 0.64 0.00 -1.74 0.00 0.00 39.64 40.24 1vee n ILE 41 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1vee h LYS 42 N 0.00 0.04 -0.64 6.28 1.57 -1.85 -0.99 116.57 120.98 1vee h LYS 42 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1vee h LYS 42 Cb 0.93 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1vee h LYS 42 CO 0.00 0.03 0.29 0.78 -0.57 0.00 0.00 179.45 179.98 1vee h GLY 43 N 0.04 0.98 1.65 3.86 0.00 -1.90 -1.34 103.07 106.35 1vee h GLY 43 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1vee h GLY 43 CO -0.01 0.45 -0.35 1.41 0.00 0.00 0.00 176.54 178.04 1vee h LEU 44 N 0.91 0.41 0.00 3.11 3.38 -1.59 -3.47 115.31 118.06 1vee h LEU 44 Ca 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1vee h LEU 44 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1vee h LEU 44 CO -0.03 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1vee n GLY 45 N -0.22 1.89 3.62 0.83 0.00 -0.51 -5.01 105.19 105.80 1vee n GLY 45 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1vee n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vee s LYS 46 N -0.00 2.04 0.14 1.61 -0.14 -1.14 -4.97 119.74 117.28 1vee s LYS 46 Ca 0.00 -2.27 0.05 0.00 -1.36 0.00 0.00 55.97 52.39 1vee s LYS 46 Cb 0.00 -1.04 -0.04 0.00 -1.68 0.00 0.00 37.83 35.07 1vee s LYS 46 CO 0.00 -0.41 -0.11 -1.59 -0.76 0.00 0.00 175.35 172.48 1vee s LYS 47 N -3.78 1.06 0.69 1.68 -2.85 -1.26 -2.41 119.74 112.86 1vee s LYS 47 Ca 0.16 -1.42 0.01 0.00 -1.00 0.00 0.00 55.97 53.73 1vee s LYS 47 Cb 0.02 -0.68 0.12 0.00 -2.06 0.00 0.00 37.83 35.24 1vee s LYS 47 CO 0.10 0.09 0.95 0.00 0.10 0.00 0.00 175.35 176.58 1vee s ALA 48 N -3.13 3.92 -0.01 0.59 0.00 -1.26 -4.54 121.76 117.32 1vee s ALA 48 Ca 0.16 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.33 1vee s ALA 48 Cb 0.01 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1vee s ALA 48 CO 0.01 -1.32 -0.07 0.08 0.00 0.00 0.00 175.76 174.47 1vee s VAL 49 N -3.03 0.57 -0.30 0.00 1.01 -1.01 -5.02 120.40 112.60 1vee s VAL 49 Ca 0.65 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1vee s VAL 49 Cb -0.05 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1vee s VAL 49 CO 0.43 0.18 -0.01 -0.94 0.00 0.00 0.00 175.10 174.75 1vee s SER 50 N 0.05 4.70 -0.30 3.32 1.04 -1.26 -0.66 113.70 120.59 1vee s SER 50 Ca -0.00 -1.65 -0.01 0.00 0.48 0.00 0.00 55.95 54.77 1vee s SER 50 Cb -0.05 -1.63 0.12 0.00 0.10 0.00 0.00 66.02 64.56 1vee s SER 50 CO -0.00 -0.29 0.23 -0.89 0.98 0.00 0.00 173.24 173.27 1vee s THR 51 N 1.08 -0.23 0.07 2.02 2.01 -0.39 -5.00 115.64 115.20 1vee s THR 51 Ca -0.01 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1vee s THR 51 Cb -0.20 -0.97 -0.09 0.00 0.01 0.00 0.00 72.50 71.25 1vee s THR 51 CO -0.05 -0.62 1.88 0.54 -0.69 0.00 0.00 174.62 175.68 1vee s VAL 52 N 2.07 2.87 0.36 3.82 0.11 -1.26 -4.22 120.40 124.16 1vee s VAL 52 Ca 0.11 0.10 -0.25 0.00 -2.93 0.00 0.00 61.98 59.01 1vee s VAL 52 Cb -0.16 -3.07 -0.09 0.00 -1.53 0.00 0.00 36.38 31.53 1vee s VAL 52 CO -0.29 -0.01 1.00 -0.47 -3.33 0.00 0.00 175.10 172.01 1vee s TYR 53 N 3.68 3.47 -0.18 1.54 5.04 -1.19 -5.00 117.35 124.72 1vee s TYR 53 Ca 0.84 1.71 -0.04 0.00 -2.44 0.00 0.00 57.07 57.13 1vee s TYR 53 Cb -0.43 -3.04 0.09 0.00 0.35 0.00 0.00 41.96 38.92 1vee s TYR 53 CO 0.38 -0.24 0.26 0.54 -1.34 0.00 0.00 175.55 175.15 1vee s ASN 54 N -1.56 0.79 0.64 4.32 4.22 -1.26 -5.01 114.94 117.08 1vee s ASN 54 Ca 0.54 0.18 0.28 0.00 -2.14 0.00 0.00 52.86 51.72 1vee s ASN 54 Cb -0.21 0.62 1.51 0.00 1.28 0.00 0.00 41.25 44.45 1vee s ASN 54 CO 0.26 -0.29 1.87 1.23 -2.04 0.00 0.00 177.10 178.14 1vee h GLY 55 N 8.28 0.00 2.00 0.45 0.00 -1.98 -0.33 103.07 111.49 1vee h GLY 55 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1vee h GLY 55 CO 0.22 0.00 -0.13 0.83 0.00 0.00 0.00 176.54 177.46 1vee h GLU 56 N 0.00 0.00 -1.55 4.80 5.08 -2.03 -3.34 114.58 117.54 1vee h GLU 56 Ca 0.07 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.98 1vee h GLU 56 Cb 0.89 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.80 1vee h GLU 56 CO -0.00 0.13 -1.01 -3.47 -1.00 0.00 0.00 179.01 173.66 1vee n ASP 57 N -3.36 -0.07 0.09 1.42 -0.08 -0.14 -5.00 116.55 109.42 1vee n ASP 57 Ca -0.00 -3.07 -0.13 0.00 -1.51 0.00 0.00 54.79 50.07 1vee n ASP 57 Cb 0.33 -0.05 -0.06 0.00 2.34 0.00 0.00 41.12 43.68 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1vee h LYS 58 N 3.28 -0.55 -0.67 -0.67 1.57 -1.69 -1.32 116.57 116.53 1vee h LYS 58 Ca 0.05 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1vee h LYS 58 Cb 0.98 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1vee h LYS 58 CO 0.42 -0.36 0.20 -1.00 -0.57 0.00 0.00 179.45 178.13 1vee h PRO 59 N -0.57 1.03 -0.63 3.15 0.13 -1.94 -2.60 132.00 130.57 1vee h PRO 59 Ca 0.04 -0.22 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1vee h PRO 59 Cb 0.62 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.54 1vee h PRO 59 CO -0.25 0.89 0.33 0.78 -0.23 0.00 0.00 178.00 179.52 1vee h GLY 60 N 1.06 0.92 0.86 1.56 0.00 -1.90 -2.13 103.07 103.44 1vee h GLY 60 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1vee h GLY 60 CO -0.01 0.11 0.06 -2.75 0.00 0.00 0.00 176.54 173.95 1vee h PHE 61 N 0.60 0.36 -0.84 5.60 3.57 -1.00 -3.17 116.94 122.05 1vee h PHE 61 Ca 0.29 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.86 1vee h PHE 61 Cb 0.23 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 1vee h PHE 61 CO -0.10 0.45 0.48 -0.07 -2.23 0.00 0.00 178.31 176.83 1vee h LEU 62 N 0.17 0.66 -1.76 0.59 3.38 -1.03 -1.11 115.31 116.20 1vee h LEU 62 Ca 0.07 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1vee h LEU 62 Cb 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1vee h LEU 62 CO 0.00 0.36 0.20 0.07 0.09 0.00 0.00 178.44 179.16 1vee h LYS 63 N 0.77 0.31 0.00 1.13 2.10 -1.37 -0.21 116.57 119.30 1vee h LYS 63 Ca 0.42 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 59.03 1vee h LYS 63 Cb 0.44 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1vee h LYS 63 CO -0.27 0.20 -0.08 0.87 -2.00 0.00 0.00 179.45 178.17 1vee h LYS 64 N 0.32 0.00 0.07 0.07 1.57 -1.26 -1.33 116.57 116.01 1vee h LYS 64 Ca 0.12 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.60 1vee h LYS 64 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1vee h LYS 64 CO -0.03 0.08 -1.65 1.28 -0.57 0.00 0.00 179.45 178.56 1vee n LEU 65 N -3.78 2.26 0.17 2.94 7.99 -0.18 -4.20 117.00 122.20 1vee n LEU 65 Ca -0.02 0.32 0.15 0.00 -0.01 0.00 0.00 56.01 56.44 1vee n LEU 65 Cb 0.18 -1.05 0.75 0.00 -0.11 0.00 0.00 43.42 43.18 1vee n LEU 65 CO 0.29 0.58 1.13 -1.28 -1.51 0.00 0.00 177.39 176.60 1vee h SER 66 N -0.45 0.00 1.09 -1.43 0.87 -0.93 0.11 113.55 112.81 1vee h SER 66 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1vee h SER 66 Cb 1.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1vee h SER 66 CO -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.24 1vee n LEU 67 N -4.17 0.37 -0.05 2.23 -0.00 -0.53 -4.07 117.00 110.77 1vee n LEU 67 Ca 0.02 0.55 -0.10 0.00 -0.00 0.00 0.00 56.01 56.47 1vee n LEU 67 Cb 0.31 -0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 43.25 1vee n LEU 67 CO 0.32 -0.15 -0.84 2.29 -0.00 0.00 0.00 177.39 179.00 1vee n LYS 68 N -1.86 0.21 -2.58 1.47 -0.00 -0.23 -4.87 118.16 110.31 1vee n LYS 68 Ca 0.06 0.09 -0.41 0.00 -0.00 0.00 0.00 58.31 58.04 1vee n LYS 68 Cb 0.34 -0.88 -0.03 0.00 -0.00 0.00 0.00 35.03 34.46 1vee n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1vee s PHE 69 N -2.18 2.34 0.19 5.58 0.08 0.22 -4.88 117.98 119.34 1vee s PHE 69 Ca -0.14 -0.17 -0.12 0.00 0.12 0.00 0.00 56.93 56.62 1vee s PHE 69 Cb 0.05 -4.60 0.16 0.00 -0.57 0.00 0.00 43.02 38.07 1vee s PHE 69 CO 0.18 -2.02 1.81 1.57 -0.10 0.00 0.00 175.22 176.66 1vee h LYS 70 N 9.96 0.63 -3.09 0.44 2.10 -1.87 -3.33 116.57 121.40 1vee h LYS 70 Ca -0.24 -0.04 -0.62 0.00 -2.00 0.00 0.00 60.65 57.75 1vee h LYS 70 Cb 1.05 -0.14 -0.42 0.00 -0.90 0.00 0.00 32.23 31.82 1vee h LYS 70 CO 1.28 0.42 -0.59 -0.51 -2.00 0.00 0.00 179.45 178.04 1vee s ASP 71 N -5.59 4.65 0.46 7.07 1.11 -1.26 -4.95 116.67 118.15 1vee s ASP 71 Ca -0.13 -3.72 0.22 0.00 0.18 0.00 0.00 52.55 49.10 1vee s ASP 71 Cb 0.14 -1.59 1.12 0.00 1.07 0.00 0.00 42.92 43.67 1vee s ASP 71 CO 0.75 -0.10 1.95 1.55 1.18 0.00 0.00 175.17 180.49 1vee h PRO 72 N 5.54 0.00 0.00 8.23 0.13 -1.91 -3.19 132.00 140.80 1vee h PRO 72 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vee h PRO 72 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1vee h PRO 72 CO 0.70 0.22 0.02 -0.85 -0.23 0.00 0.00 178.00 177.86 1vee n GLU 73 N -3.73 0.13 -0.00 0.86 0.00 -1.24 -1.39 120.64 115.27 1vee n GLU 73 Ca -0.01 0.63 0.02 0.00 0.00 0.00 0.00 57.16 57.79 1vee n GLU 73 Cb 0.33 -1.96 -0.03 0.00 0.00 0.00 0.00 31.44 29.79 1vee n GLU 73 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1vee n ASN 74 N -2.22 2.76 -4.72 -1.84 0.23 -1.21 -3.75 115.26 104.50 1vee n ASN 74 Ca -0.01 -0.21 -0.41 0.00 -0.53 0.00 0.00 54.58 53.42 1vee n ASN 74 Cb 0.05 1.11 -0.04 0.00 -2.08 0.00 0.00 39.78 38.82 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1vee s THR 75 N -1.93 4.27 -0.12 5.53 2.01 -0.48 -4.71 115.64 120.20 1vee s THR 75 Ca -0.00 1.78 -0.05 0.00 0.31 0.00 0.00 61.69 63.73 1vee s THR 75 Cb 0.02 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1vee s THR 75 CO 0.15 0.22 0.07 -0.89 -0.69 0.00 0.00 174.62 173.48 1vee s THR 76 N 0.38 4.86 -0.35 -0.82 2.01 -0.69 -1.56 115.64 119.47 1vee s THR 76 Ca 0.51 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.49 1vee s THR 76 Cb -0.26 -3.10 0.09 0.00 0.01 0.00 0.00 72.50 69.24 1vee s THR 76 CO 0.31 0.58 0.08 -0.76 -0.69 0.00 0.00 174.62 174.15 1vee s LEU 77 N -0.71 4.73 -0.64 4.42 1.43 -0.52 -0.31 118.68 127.09 1vee s LEU 77 Ca 0.12 -1.96 -0.28 0.00 -1.03 0.00 0.00 54.13 50.99 1vee s LEU 77 Cb -0.12 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1vee s LEU 77 CO 0.03 -0.41 1.30 -0.31 0.23 0.00 0.00 176.35 177.18 1vee s TYR 78 N 1.04 2.38 -0.15 0.29 2.02 0.08 -3.09 117.35 119.92 1vee s TYR 78 Ca 0.07 0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 56.76 1vee s TYR 78 Cb -0.20 -4.52 -0.01 0.00 -0.40 0.00 0.00 41.96 36.83 1vee s TYR 78 CO -0.06 -1.88 0.90 0.42 -1.57 0.00 0.00 175.55 173.37 1vee s ILE 79 N 5.63 4.83 -0.14 2.71 1.01 -0.76 -0.77 121.20 133.71 1vee s ILE 79 Ca 0.43 1.80 0.02 0.00 0.00 0.00 0.00 60.65 62.90 1vee s ILE 79 Cb -0.08 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.19 1vee s ILE 79 CO 0.21 0.00 -0.22 -0.22 0.00 0.00 0.00 174.94 174.72 1vee s LEU 80 N 2.20 2.09 0.36 2.97 2.96 -0.24 -2.99 118.68 126.04 1vee s LEU 80 Ca 0.42 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1vee s LEU 80 Cb -0.17 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1vee s LEU 80 CO 0.13 0.08 0.07 -0.62 -1.32 0.00 0.00 176.35 174.70 1vee s ASP 81 N 0.82 2.64 0.27 3.68 -1.08 -1.26 -1.08 116.67 120.66 1vee s ASP 81 Ca -0.07 -1.48 -0.01 0.00 -0.52 0.00 0.00 52.55 50.47 1vee s ASP 81 Cb -0.15 0.13 0.36 0.00 -1.46 0.00 0.00 42.92 41.79 1vee s ASP 81 CO -0.02 -0.72 1.75 0.07 0.52 0.00 0.00 175.17 176.77 1vee h LYS 82 N 1.96 0.71 0.00 4.34 2.10 -1.93 -2.28 116.57 121.47 1vee h LYS 82 Ca -0.39 -0.21 -0.20 0.00 -2.00 0.00 0.00 60.65 57.85 1vee h LYS 82 Cb 1.26 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.46 1vee h LYS 82 CO 0.66 0.77 -0.19 1.19 -2.00 0.00 0.00 179.45 179.89 1vee n PHE 83 N -4.19 -0.28 -0.10 0.07 3.72 -1.26 -0.97 117.46 114.45 1vee n PHE 83 Ca 0.02 -1.14 0.26 0.00 -0.05 0.00 0.00 57.45 56.54 1vee n PHE 83 Cb 0.33 0.10 0.68 0.00 -0.94 0.00 0.00 39.48 39.65 1vee n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vee h ASP 84 N 0.82 0.00 0.00 4.37 5.19 -1.85 -3.34 116.42 121.60 1vee h ASP 84 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1vee h ASP 84 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1vee h ASP 84 CO 0.15 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.88 1vee n GLY 85 N -1.62 0.25 0.17 2.75 0.00 -1.26 -3.48 105.19 101.99 1vee n GLY 85 Ca 0.16 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1vee n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vee n ASN 86 N 0.41 1.39 -0.21 1.61 3.02 -1.26 -4.89 115.26 115.33 1vee n ASN 86 Ca 0.00 -1.21 -0.01 0.00 -0.03 0.00 0.00 54.58 53.33 1vee n ASN 86 Cb 0.00 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1vee n ASN 86 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 87 N 0.22 -0.36 -0.14 6.41 7.64 -1.23 -0.62 113.62 125.55 1vee n SER 87 Ca 0.03 0.93 -0.11 0.00 1.01 0.00 0.00 58.87 60.72 1vee n SER 87 Cb 0.11 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 1vee n SER 87 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vee h GLU 88 N 0.00 0.80 -0.69 1.43 5.08 -1.90 0.18 114.58 119.47 1vee h GLU 88 Ca 0.18 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1vee h GLU 88 Cb 0.31 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1vee h GLU 88 CO -0.53 0.93 0.44 1.25 -1.00 0.00 0.00 179.01 180.11 1vee h LEU 89 N 0.61 0.81 -0.67 1.33 7.12 -1.25 -0.99 115.31 122.27 1vee h LEU 89 Ca 0.10 -0.04 -0.12 0.00 0.13 0.00 0.00 57.88 57.95 1vee h LEU 89 Cb 0.65 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1vee h LEU 89 CO 0.04 0.60 -0.26 0.58 -0.13 0.00 0.00 178.44 179.28 1vee h VAL 90 N 0.94 1.27 -0.61 1.05 2.07 -0.72 -1.59 116.25 118.67 1vee h VAL 90 Ca 0.25 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1vee h VAL 90 Cb -0.08 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1vee h VAL 90 CO -0.05 0.46 0.36 0.00 0.02 0.00 0.00 177.57 178.35 1vee h ALA 91 N 1.06 0.78 -0.30 1.67 0.00 0.14 -1.92 119.26 120.68 1vee h ALA 91 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1vee h ALA 91 Cb 0.77 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vee h ALA 91 CO 0.06 0.27 -0.16 0.93 0.00 0.00 0.00 179.25 180.36 1vee h GLU 92 N 0.83 0.64 0.10 0.00 4.39 -1.03 -2.11 114.58 117.39 1vee h GLU 92 Ca 0.22 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1vee h GLU 92 Cb 0.00 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1vee h GLU 92 CO -0.04 0.87 -0.42 1.25 -1.16 0.00 0.00 179.01 179.51 1vee h LEU 93 N 0.39 -1.24 -0.84 1.33 5.85 -0.86 0.17 115.31 120.12 1vee h LEU 93 Ca 0.07 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1vee h LEU 93 Cb 0.68 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1vee h LEU 93 CO 0.05 -0.48 0.24 -0.37 -0.34 0.00 0.00 178.44 177.53 1vee h VAL 94 N -0.64 1.25 0.24 1.05 -1.51 -1.42 -0.74 116.25 114.49 1vee h VAL 94 Ca 0.03 -0.86 -0.01 0.00 -1.23 0.00 0.00 66.70 64.62 1vee h VAL 94 Cb 0.67 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1vee h VAL 94 CO -0.26 0.34 -0.11 0.00 -1.23 0.00 0.00 177.57 176.31 1vee h ALA 95 N 1.19 -0.32 -0.56 5.19 0.00 -0.89 0.80 119.26 124.67 1vee h ALA 95 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1vee h ALA 95 Cb 0.28 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1vee h ALA 95 CO -0.01 -0.64 0.37 -0.07 0.00 0.00 0.00 179.25 178.89 1vee h LEU 96 N -0.40 0.63 -0.57 0.00 4.07 -0.62 -2.52 115.31 115.90 1vee h LEU 96 Ca -0.03 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.96 1vee h LEU 96 Cb 0.30 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1vee h LEU 96 CO 0.05 0.46 0.30 0.78 -1.08 0.00 0.00 178.44 178.95 1vee h ASN 97 N 0.75 0.44 0.00 -0.43 2.35 -0.92 -3.46 115.58 114.31 1vee h ASN 97 Ca 0.21 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1vee h ASN 97 Cb -0.07 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1vee h ASN 97 CO -0.05 0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.63 1vee n GLY 98 N -1.26 0.00 3.74 2.83 0.00 -0.56 -5.09 105.19 104.84 1vee n GLY 98 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1vee n GLY 98 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vee n PHE 99 N 0.00 2.22 0.29 1.61 3.01 0.17 -3.68 117.46 121.08 1vee n PHE 99 Ca 0.00 0.43 -0.18 0.00 1.01 0.00 0.00 57.45 58.72 1vee n PHE 99 Cb 0.00 -2.35 -0.09 0.00 -0.01 0.00 0.00 39.48 37.03 1vee n PHE 99 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1vee h LYS 100 N 1.36 -0.94 -3.82 -1.08 1.63 -0.98 -3.39 116.57 109.34 1vee h LYS 100 Ca -0.51 0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.27 1vee h LYS 100 Cb 1.31 0.21 -0.10 0.00 -0.60 0.00 0.00 32.23 33.05 1vee h LYS 100 CO 0.57 -0.63 -0.21 0.45 -3.45 0.00 0.00 179.45 176.18 1vee s SER 101 N -4.24 -0.05 -0.22 4.20 0.15 -1.25 -5.01 113.70 107.28 1vee s SER 101 Ca -0.17 -1.01 -0.23 0.00 0.70 0.00 0.00 55.95 55.24 1vee s SER 101 Cb 0.04 0.55 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1vee s SER 101 CO 0.57 -1.08 0.65 0.00 1.20 0.00 0.00 173.24 174.57 1vee s ALA 102 N -4.04 -1.61 0.03 5.45 0.00 -1.26 -1.43 121.76 118.89 1vee s ALA 102 Ca 0.25 1.75 0.05 0.00 0.00 0.00 0.00 51.96 54.02 1vee s ALA 102 Cb 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1vee s ALA 102 CO 0.09 -0.31 -0.16 0.71 0.00 0.00 0.00 175.76 176.09 1vee s TYR 103 N 0.15 1.41 -0.28 0.00 1.51 -1.18 -4.13 117.35 114.84 1vee s TYR 103 Ca -0.01 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1vee s TYR 103 Cb -0.04 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1vee s TYR 103 CO 0.02 0.03 0.11 0.00 -1.11 0.00 0.00 175.55 174.61 1vee s ALA 104 N -0.70 3.24 -0.80 3.71 0.00 -1.15 -1.83 121.76 124.22 1vee s ALA 104 Ca 0.04 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.52 1vee s ALA 104 Cb -0.08 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.82 1vee s ALA 104 CO 0.01 -0.66 1.59 0.42 0.00 0.00 0.00 175.76 177.12 1vee s ILE 105 N 1.63 3.63 0.42 0.00 1.09 -1.16 -3.59 121.20 123.22 1vee s ILE 105 Ca 0.06 -0.06 -0.25 0.00 -1.10 0.00 0.00 60.65 59.30 1vee s ILE 105 Cb -0.16 -4.54 -0.10 0.00 -1.06 0.00 0.00 42.46 36.60 1vee s ILE 105 CO 0.05 -1.48 1.27 1.17 -0.10 0.00 0.00 174.94 175.85 1vee n LYS 106 N 9.12 1.92 -0.93 2.79 0.00 -1.26 -1.60 118.16 128.20 1vee n LYS 106 Ca 0.21 0.68 0.00 0.00 0.00 0.00 0.00 58.31 59.20 1vee n LYS 106 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.15 1vee n LYS 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vee n ASP 107 N 0.22 -0.81 0.00 3.14 8.00 -1.26 -4.35 116.55 121.48 1vee n ASP 107 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1vee n ASP 107 Cb 0.40 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 108 N -2.07 3.45 0.04 0.44 0.00 -0.63 -1.14 105.19 105.28 1vee n GLY 108 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1vee n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee n ALA 109 N 11.09 1.81 0.74 4.61 0.00 -0.16 -1.12 120.51 137.48 1vee n ALA 109 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.14 1vee n ALA 109 Cb 0.00 0.24 0.05 0.00 0.00 0.00 0.00 19.45 19.75 1vee n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vee n GLU 110 N -2.64 0.18 -0.61 0.00 1.02 -0.14 -2.40 120.64 116.04 1vee n GLU 110 Ca -0.15 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.71 1vee n GLU 110 Cb 0.69 -1.56 0.24 0.00 -0.02 0.00 0.00 31.44 30.79 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vee s GLY 111 N -3.40 1.55 0.59 0.62 0.00 -0.30 -4.78 107.32 101.60 1vee s GLY 111 Ca 0.06 -0.15 0.29 0.00 0.00 0.00 0.00 44.72 44.92 1vee s GLY 111 CO 0.79 0.56 1.90 -0.56 0.00 0.00 0.00 173.10 175.79 1vee h PRO 112 N -2.56 0.00 0.00 2.90 0.13 -1.94 -0.19 132.00 130.33 1vee h PRO 112 Ca -0.61 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.43 1vee h PRO 112 Cb 1.33 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.26 1vee h PRO 112 CO 0.51 0.00 -0.75 2.89 -0.23 0.00 0.00 178.00 180.42 1vee n ARG 113 N -3.65 0.45 -1.19 0.86 1.85 -1.26 -4.80 116.66 108.92 1vee n ARG 113 Ca 0.07 -2.16 -0.29 0.00 -1.00 0.00 0.00 57.85 54.47 1vee n ARG 113 Cb 0.64 -0.56 0.21 0.00 -1.05 0.00 0.00 32.46 31.70 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1vee s GLY 114 N -2.16 1.58 0.24 2.89 0.00 -0.09 -4.43 107.32 105.35 1vee s GLY 114 Ca 0.29 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 44.14 1vee s GLY 114 CO -0.10 0.04 1.56 -0.25 0.00 0.00 0.00 173.10 174.35 1vee h TRP 115 N -2.21 -0.94 0.10 1.90 2.91 -1.06 -1.10 115.95 115.55 1vee h TRP 115 Ca -0.49 0.10 -0.01 0.00 1.13 0.00 0.00 58.89 59.62 1vee h TRP 115 Cb 1.31 0.56 0.00 0.00 -0.51 0.00 0.00 29.16 30.52 1vee h TRP 115 CO -0.96 -0.41 -0.05 -0.07 -1.03 0.00 0.00 178.44 175.92 1vee h LEU 116 N -0.01 -0.12 -1.78 0.65 3.38 -1.77 -2.74 115.31 112.93 1vee h LEU 116 Ca 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1vee h LEU 116 Cb 0.62 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1vee h LEU 116 CO -0.98 0.07 0.00 0.59 0.09 0.00 0.00 178.44 178.21 1vee n ASN 117 N -5.08 2.24 0.00 -0.43 3.02 -0.51 -2.89 115.26 111.62 1vee n ASN 117 Ca -0.08 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1vee n ASN 117 Cb 0.14 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1vee n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 118 N 0.45 1.01 -3.46 6.41 7.64 -0.66 -4.28 113.62 120.73 1vee n SER 118 Ca 0.00 -1.43 -0.19 0.00 1.01 0.00 0.00 58.87 58.26 1vee n SER 118 Cb 0.39 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vee n SER 119 N -0.22 -3.42 -4.30 6.43 7.64 -1.14 -4.82 113.62 113.79 1vee n SER 119 Ca 0.00 -0.72 -0.28 0.00 1.01 0.00 0.00 58.87 58.88 1vee n SER 119 Cb 0.29 -4.77 -0.15 0.00 -1.01 0.00 0.00 64.21 58.57 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vee s LEU 120 N -6.16 2.16 0.49 -3.43 1.43 -1.23 -5.11 118.68 106.82 1vee s LEU 120 Ca 0.17 -0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 52.48 1vee s LEU 120 Cb -0.03 -1.15 -0.07 0.00 0.03 0.00 0.00 46.19 44.97 1vee s LEU 120 CO 0.76 0.22 1.39 -2.65 0.23 0.00 0.00 176.35 176.31 1vee n PRO 121 N 1.85 2.01 -3.84 1.29 -0.02 -1.26 -4.75 135.00 130.29 1vee n PRO 121 Ca -0.17 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 1vee n PRO 121 Cb 0.52 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1vee n PRO 121 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1vee s TRP 122 N -1.23 0.06 -0.74 6.00 -0.11 -1.26 -3.72 118.94 117.93 1vee s TRP 122 Ca 0.65 -0.32 -0.09 0.00 1.22 0.00 0.00 56.10 57.57 1vee s TRP 122 Cb -0.44 -0.02 0.19 0.00 -1.50 0.00 0.00 33.47 31.71 1vee s TRP 122 CO 0.54 -0.47 0.63 0.42 -4.62 0.00 0.00 176.95 173.45 1vee s ILE 123 N -2.87 4.76 0.62 5.86 1.01 0.61 -4.87 121.20 126.33 1vee s ILE 123 Ca -0.03 -2.73 -0.14 0.00 0.00 0.00 0.00 60.65 57.76 1vee s ILE 123 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1vee s ILE 123 CO -0.06 -0.97 1.06 -1.61 0.00 0.00 0.00 174.94 173.36 1vee s GLU 124 N 0.02 3.21 1.00 2.79 2.02 -1.26 -1.38 118.70 125.10 1vee s GLU 124 Ca 0.18 1.11 -0.17 0.00 0.02 0.00 0.00 54.97 56.12 1vee s GLU 124 Cb -0.15 -2.02 0.22 0.00 0.10 0.00 0.00 34.13 32.28 1vee s GLU 124 CO -0.06 -0.89 1.30 -1.25 0.02 0.00 0.00 175.26 174.38 1vee s PRO 125 N -4.39 0.31 0.29 0.39 0.04 -1.26 -4.92 135.00 125.46 1vee s PRO 125 Ca 0.62 -0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.29 1vee s PRO 125 Cb -0.15 -1.81 0.43 0.00 0.04 0.00 0.00 34.50 33.01 1vee s PRO 125 CO 0.43 -2.64 1.74 -0.22 0.04 0.00 0.00 177.00 176.35 1vee h LYS 126 N -1.80 0.49 -6.56 4.56 3.64 -1.97 -3.43 116.57 111.51 1vee h LYS 126 Ca -0.44 -0.17 -0.53 0.00 -1.27 0.00 0.00 60.65 58.24 1vee h LYS 126 Cb 1.24 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1vee h LYS 126 CO 0.36 0.68 0.88 0.21 -2.27 0.00 0.00 179.45 179.31 1vee s LYS 127 N -4.55 4.23 0.29 1.90 2.36 -1.26 -4.99 119.74 117.72 1vee s LYS 127 Ca -0.07 2.30 -0.10 0.00 -2.55 0.00 0.00 55.97 55.55 1vee s LYS 127 Cb 0.14 -3.28 0.00 0.00 -1.05 0.00 0.00 37.83 33.65 1vee s LYS 127 CO 0.79 -0.61 0.51 -0.08 1.55 0.00 0.00 175.35 177.51 1vee s THR 128 N 1.49 0.00 -0.23 3.43 -1.32 -1.26 -5.04 115.64 112.72 1vee s THR 128 Ca 0.70 -1.43 -0.26 0.00 -1.21 0.00 0.00 61.69 59.49 1vee s THR 128 Cb -0.41 -2.43 0.08 0.00 -1.51 0.00 0.00 72.50 68.23 1vee s THR 128 CO 0.31 0.00 0.77 -0.94 -2.21 0.00 0.00 174.62 172.55 1vee s SER 129 N -3.10 -0.67 0.80 8.08 1.04 -1.26 -5.13 113.70 113.46 1vee s SER 129 Ca 0.24 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1vee s SER 129 Cb -0.01 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1vee s SER 129 CO 0.13 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1vee n GLY 130 N 2.21 -1.20 2.33 7.32 0.00 -1.26 -3.80 105.19 110.79 1vee n GLY 130 Ca -0.15 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1vee n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vee n PRO 131 N -2.27 3.53 -1.92 1.61 -0.04 -1.26 -4.95 135.00 129.70 1vee n PRO 131 Ca 0.00 -2.11 -0.42 0.00 -0.04 0.00 0.00 63.50 60.93 1vee n PRO 131 Cb 0.12 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 30.80 1vee n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vee s SER 132 N 2.29 6.55 0.92 3.54 0.15 -1.25 -5.02 113.70 120.88 1vee s SER 132 Ca 0.67 2.72 -0.11 0.00 0.70 0.00 0.00 55.95 59.93 1vee s SER 132 Cb 0.17 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 62.05 1vee s SER 132 CO -0.06 -0.81 1.11 -1.20 1.20 0.00 0.00 173.24 173.49 1vee n SER 133 N 3.06 0.42 0.00 5.45 7.64 -1.26 -5.08 113.62 123.85 1vee n SER 133 Ca 0.10 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1vee n SER 133 Cb 0.39 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64