#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee s SER 2 N 0.00 3.38 0.00 1.61 1.04 -1.26 -5.01 113.70 113.46 1vee s SER 2 Ca 0.00 1.29 0.16 0.00 0.48 0.00 0.00 55.95 57.87 1vee s SER 2 Cb 0.00 -1.96 0.21 0.00 0.10 0.00 0.00 66.02 64.37 1vee s SER 2 CO 0.00 -2.67 1.10 -1.20 0.98 0.00 0.00 173.24 171.45 1vee n SER 3 N -3.88 2.59 -4.22 7.02 7.64 -1.26 -4.99 113.62 116.51 1vee n SER 3 Ca 0.06 -1.75 -0.19 0.00 1.01 0.00 0.00 58.87 58.00 1vee n SER 3 Cb 0.57 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.57 1vee n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vee s GLY 4 N -1.26 1.02 -0.70 0.23 0.00 -1.26 -4.99 107.32 100.37 1vee s GLY 4 Ca 0.22 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.53 1vee s GLY 4 CO 0.21 -1.20 1.12 -0.45 0.00 0.00 0.00 173.10 172.78 1vee s SER 5 N -2.06 6.17 0.16 1.64 0.15 -1.26 -5.02 113.70 113.48 1vee s SER 5 Ca 0.04 -0.71 0.05 0.00 0.70 0.00 0.00 55.95 56.03 1vee s SER 5 Cb -0.08 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1vee s SER 5 CO 0.03 -1.63 -0.10 -0.94 1.20 0.00 0.00 173.24 171.79 1vee s SER 6 N 3.69 1.89 0.00 5.45 1.04 -1.26 -0.46 113.70 124.05 1vee s SER 6 Ca 0.29 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1vee s SER 6 Cb -0.12 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1vee s SER 6 CO 0.13 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1vee n GLY 7 N -0.23 -1.39 3.38 7.32 0.00 -1.17 -4.95 105.19 108.15 1vee n GLY 7 Ca -0.10 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.42 0.08 1.61 0.01 -1.26 -3.83 113.70 111.89 1vee s SER 8 Ca 0.00 -0.14 -0.22 0.00 1.31 0.00 0.00 55.95 56.90 1vee s SER 8 Cb 0.00 0.55 -0.13 0.00 0.21 0.00 0.00 66.02 66.65 1vee s SER 8 CO 0.00 -0.92 1.65 0.00 0.41 0.00 0.00 173.24 174.38 1vee h ALA 9 N 2.16 0.12 -0.13 1.44 0.00 -1.71 -1.41 119.26 119.72 1vee h ALA 9 Ca -0.34 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1vee h ALA 9 Cb 1.29 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1vee h ALA 9 CO 0.42 -0.33 -0.13 0.87 0.00 0.00 0.00 179.25 180.08 1vee h LYS 10 N 0.03 -0.15 -0.13 0.00 1.57 -1.88 0.14 116.57 116.14 1vee h LYS 10 Ca 0.03 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1vee h LYS 10 Cb 0.11 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1vee h LYS 10 CO -0.00 -0.10 -0.29 -0.97 -0.57 0.00 0.00 179.45 177.52 1vee h ASN 11 N -0.15 -0.89 -0.45 0.86 -1.24 -1.94 -0.12 115.58 111.65 1vee h ASN 11 Ca 0.09 0.14 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 1vee h ASN 11 Cb 0.29 0.39 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 1vee h ASN 11 CO -0.23 -0.33 0.16 0.00 -1.29 0.00 0.00 177.43 175.74 1vee h ALA 12 N 0.52 1.32 -0.24 1.57 0.00 -0.85 -0.99 119.26 120.59 1vee h ALA 12 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1vee h ALA 12 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1vee h ALA 12 CO -0.33 0.49 -0.05 -0.92 0.00 0.00 0.00 179.25 178.44 1vee h TYR 13 N 0.74 0.50 -0.86 0.00 3.20 -0.09 -0.30 116.97 120.16 1vee h TYR 13 Ca 0.17 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1vee h TYR 13 Cb 0.22 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1vee h TYR 13 CO 0.01 0.67 0.57 1.15 -1.64 0.00 0.00 178.16 178.92 1vee h THR 14 N 0.19 1.21 -0.56 1.81 2.02 -0.76 -1.71 112.91 115.11 1vee h THR 14 Ca 0.06 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1vee h THR 14 Cb 0.50 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1vee h THR 14 CO 0.02 0.21 0.34 0.11 0.37 0.00 0.00 175.52 176.57 1vee h LYS 15 N 1.16 0.75 -0.62 6.66 1.79 -0.82 -1.72 116.57 123.78 1vee h LYS 15 Ca 0.32 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.79 1vee h LYS 15 Cb -0.12 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 30.31 1vee h LYS 15 CO -0.07 0.54 0.31 -0.07 -1.08 0.00 0.00 179.45 179.07 1vee h LEU 16 N 0.75 0.41 0.00 2.94 3.38 -0.40 0.08 115.31 122.47 1vee h LEU 16 Ca 0.20 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1vee h LEU 16 Cb -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1vee h LEU 16 CO -0.04 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1vee n GLY 17 N -1.28 -0.64 0.00 0.83 0.00 -0.68 -2.72 105.19 100.70 1vee n GLY 17 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vee n GLY 17 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vee n THR 18 N -1.34 0.00 -3.78 2.61 5.66 -0.63 -4.95 114.28 111.85 1vee n THR 18 Ca 0.04 -0.26 -0.35 0.00 -3.05 0.00 0.00 64.05 60.42 1vee n THR 18 Cb 0.08 1.34 -0.11 0.00 -1.55 0.00 0.00 70.33 70.09 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1vee s ASP 19 N -0.15 5.11 0.58 1.09 -1.08 -0.08 -4.99 116.67 117.15 1vee s ASP 19 Ca 0.00 -2.57 0.32 0.00 -0.52 0.00 0.00 52.55 49.78 1vee s ASP 19 Cb 0.00 -1.81 1.38 0.00 -1.46 0.00 0.00 42.92 41.03 1vee s ASP 19 CO 0.00 -0.41 1.71 0.44 0.52 0.00 0.00 175.17 177.43 1vee h ASP 20 N 7.33 0.00 -0.21 -0.34 5.19 -1.88 -0.86 116.42 125.65 1vee h ASP 20 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1vee h ASP 20 Cb 0.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1vee h ASP 20 CO 0.70 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.41 1vee n ASN 21 N -3.73 2.55 -4.79 6.45 3.02 -1.26 -5.02 115.26 112.47 1vee n ASN 21 Ca 0.19 -1.77 -0.35 0.00 -0.03 0.00 0.00 54.58 52.61 1vee n ASN 21 Cb 1.11 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 40.11 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vee s ALA 22 N -1.00 2.96 0.06 5.41 0.00 -0.33 -3.20 121.76 125.65 1vee s ALA 22 Ca 0.20 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 1vee s ALA 22 Cb 0.12 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1vee s ALA 22 CO 0.16 -0.26 0.06 -0.65 0.00 0.00 0.00 175.76 175.08 1vee s GLN 23 N -2.96 0.67 -0.27 0.00 -1.52 0.11 -4.91 119.66 110.78 1vee s GLN 23 Ca 0.64 -1.04 -0.10 0.00 -1.95 0.00 0.00 55.36 52.91 1vee s GLN 23 Cb -0.18 0.25 -0.04 0.00 -0.22 0.00 0.00 33.01 32.82 1vee s GLN 23 CO 0.22 -0.17 0.15 -1.17 -0.25 0.00 0.00 175.29 174.08 1vee s LEU 24 N -2.73 3.85 -0.39 2.90 1.98 -1.26 -0.90 118.68 122.14 1vee s LEU 24 Ca 0.04 -0.10 -0.12 0.00 -2.89 0.00 0.00 54.13 51.06 1vee s LEU 24 Cb 0.05 -2.05 0.03 0.00 0.66 0.00 0.00 46.19 44.88 1vee s LEU 24 CO -0.09 -0.06 0.24 -0.22 -1.89 0.00 0.00 176.35 174.33 1vee s LEU 25 N 1.71 4.89 -0.22 -0.68 2.96 0.46 -1.79 118.68 126.00 1vee s LEU 25 Ca 0.07 -1.05 -0.25 0.00 -0.22 0.00 0.00 54.13 52.68 1vee s LEU 25 Cb -0.16 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1vee s LEU 25 CO 0.09 -0.43 0.82 -0.62 -1.32 0.00 0.00 176.35 174.88 1vee s ASP 26 N 1.68 6.86 0.00 3.68 -1.08 0.13 -2.26 116.67 125.67 1vee s ASP 26 Ca 0.03 1.06 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 1vee s ASP 26 Cb -0.20 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1vee s ASP 26 CO 0.07 -0.47 0.72 2.30 0.52 0.00 0.00 175.17 178.31 1vee n ILE 27 N 5.09 0.46 -0.91 4.11 -5.35 -1.15 -0.85 119.36 120.76 1vee n ILE 27 Ca 0.05 -0.72 -0.28 0.00 -0.27 0.00 0.00 62.75 61.53 1vee n ILE 27 Cb 0.48 0.78 0.21 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.46 -0.34 0.56 6.28 0.52 -1.26 -2.86 118.95 121.39 1vee s ARG 28 Ca 0.00 0.57 -0.19 0.00 -0.52 0.00 0.00 55.73 55.58 1vee s ARG 28 Cb 0.00 -1.64 -0.05 0.00 0.52 0.00 0.00 34.95 33.77 1vee s ARG 28 CO 0.00 -3.26 1.15 0.00 0.02 0.00 0.00 175.30 173.20 1vee s ALA 29 N -2.76 2.66 0.47 2.13 0.00 -1.26 -4.10 121.76 118.89 1vee s ALA 29 Ca 0.67 0.86 0.22 0.00 0.00 0.00 0.00 51.96 53.71 1vee s ALA 29 Cb -0.21 -3.38 1.23 0.00 0.00 0.00 0.00 23.12 20.77 1vee s ALA 29 CO 0.60 -0.87 1.89 1.15 0.00 0.00 0.00 175.76 178.54 1vee h THR 30 N 1.11 0.67 -0.20 0.00 2.02 -1.99 -1.49 112.91 113.02 1vee h THR 30 Ca -0.50 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1vee h THR 30 Cb 1.27 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1vee h THR 30 CO 0.56 0.04 0.14 0.00 0.37 0.00 0.00 175.52 176.63 1vee h ALA 31 N 1.62 1.87 -0.53 6.16 0.00 -2.01 -1.60 119.26 124.76 1vee h ALA 31 Ca 0.41 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 1vee h ALA 31 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1vee h ALA 31 CO -0.10 0.12 -0.01 -0.44 0.00 0.00 0.00 179.25 178.81 1vee h ASP 32 N 0.26 0.89 0.17 0.00 5.19 -1.62 -2.62 116.42 118.70 1vee h ASP 32 Ca 0.08 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1vee h ASP 32 Cb -0.01 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.26 1vee h ASP 32 CO -0.02 0.96 0.00 0.49 -3.12 0.00 0.00 179.24 177.56 1vee n PHE 33 N -4.19 0.06 -0.02 4.55 3.01 -0.60 -0.31 117.46 119.97 1vee n PHE 33 Ca 0.03 0.03 0.08 0.00 1.01 0.00 0.00 57.45 58.59 1vee n PHE 33 Cb 0.33 -0.55 -0.15 0.00 -0.01 0.00 0.00 39.48 39.10 1vee n PHE 33 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1vee n ARG 34 N -1.56 0.63 0.00 -1.08 5.12 -1.01 -3.99 116.66 114.78 1vee n ARG 34 Ca 0.01 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1vee n ARG 34 Cb 0.06 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vee n GLN 35 N -2.22 0.00 0.09 5.56 6.02 -0.16 -4.83 117.38 121.84 1vee n GLN 35 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.87 1vee n GLN 35 Cb 0.56 -0.03 -0.01 0.00 1.02 0.00 0.00 30.24 31.79 1vee n GLN 35 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1vee h VAL 36 N 0.00 1.59 0.00 5.09 3.04 -0.94 -3.41 116.25 121.62 1vee h VAL 36 Ca 0.00 -2.86 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 1vee h VAL 36 Cb 0.00 2.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1vee h VAL 36 CO 0.00 0.82 0.00 0.61 -1.01 0.00 0.00 177.57 177.99 1vee n GLY 37 N 0.91 0.85 3.27 3.17 0.00 -0.22 -4.18 105.19 109.00 1vee n GLY 37 Ca -0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 1vee n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 38 N -4.00 -0.13 1.06 1.61 1.04 -1.05 -3.59 113.70 108.64 1vee s SER 38 Ca 0.00 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1vee s SER 38 Cb 0.00 0.41 0.22 0.00 0.10 0.00 0.00 66.02 66.75 1vee s SER 38 CO 0.00 -0.74 1.13 -2.16 0.98 0.00 0.00 173.24 172.45 1vee s PRO 39 N -3.36 -0.10 0.01 4.02 0.04 -1.26 -0.00 135.00 134.34 1vee s PRO 39 Ca 0.01 0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.17 1vee s PRO 39 Cb 0.02 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 1vee s PRO 39 CO -0.09 -3.01 0.02 0.54 0.04 0.00 0.00 177.00 174.50 1vee s ASN 40 N -3.87 0.16 0.00 6.66 2.20 -1.23 -4.45 114.94 114.41 1vee s ASN 40 Ca 0.68 -0.37 0.00 0.00 -0.94 0.00 0.00 52.86 52.23 1vee s ASN 40 Cb -0.13 0.13 0.00 0.00 -2.00 0.00 0.00 41.25 39.25 1vee s ASN 40 CO 0.56 -0.29 0.86 2.30 -2.94 0.00 0.00 177.10 177.59 1vee n ILE 41 N 1.69 0.74 0.03 0.54 -5.35 -1.26 -4.70 119.36 111.04 1vee n ILE 41 Ca -0.23 -0.77 0.09 0.00 -0.27 0.00 0.00 62.75 61.57 1vee n ILE 41 Cb 0.56 0.64 0.52 0.00 -1.74 0.00 0.00 39.64 39.62 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 0.33 -0.89 6.28 1.57 -1.94 -2.47 116.57 119.45 1vee h LYS 42 Ca 0.00 -0.02 0.22 0.00 -1.87 0.00 0.00 60.65 58.98 1vee h LYS 42 Cb 0.57 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.68 1vee h LYS 42 CO 0.00 0.22 0.39 0.78 -0.57 0.00 0.00 179.45 180.26 1vee h GLY 43 N 0.34 1.51 0.00 3.86 0.00 -1.87 -2.94 103.07 103.97 1vee h GLY 43 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1vee h GLY 43 CO -0.04 -0.26 0.00 1.04 0.00 0.00 0.00 176.54 177.28 1vee n LEU 44 N -5.05 1.28 0.00 3.11 4.77 -0.94 -5.01 117.00 115.17 1vee n LEU 44 Ca 0.22 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1vee n LEU 44 Cb 0.64 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1vee n LEU 44 CO 0.13 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1vee n GLY 45 N 1.82 0.00 2.03 -0.72 0.00 -1.11 -5.14 105.19 102.06 1vee n GLY 45 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1vee n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vee n LYS 46 N 0.00 0.28 -3.79 1.61 4.76 -1.21 -5.02 118.16 114.80 1vee n LYS 46 Ca 0.00 -2.05 -0.13 0.00 -2.87 0.00 0.00 58.31 53.26 1vee n LYS 46 Cb 0.00 1.72 -0.13 0.00 -1.84 0.00 0.00 35.03 34.78 1vee n LYS 46 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vee s LYS 47 N -2.81 0.20 0.66 1.97 2.20 -1.26 -3.04 119.74 117.66 1vee s LYS 47 Ca 0.24 0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 56.06 1vee s LYS 47 Cb 0.01 0.03 0.16 0.00 -1.51 0.00 0.00 37.83 36.52 1vee s LYS 47 CO 0.17 -0.07 0.71 0.00 -0.36 0.00 0.00 175.35 175.80 1vee n ALA 48 N 3.36 -1.52 -3.39 3.13 0.00 -1.26 -4.67 120.51 116.15 1vee n ALA 48 Ca -0.17 -0.99 -0.15 0.00 0.00 0.00 0.00 53.44 52.14 1vee n ALA 48 Cb 0.57 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 1vee n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vee s VAL 49 N -2.42 0.05 -0.27 0.00 1.01 -0.74 -4.96 120.40 113.07 1vee s VAL 49 Ca 0.43 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1vee s VAL 49 Cb -0.03 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.29 1vee s VAL 49 CO 0.32 0.08 -0.09 -0.94 0.00 0.00 0.00 175.10 174.47 1vee s SER 50 N 0.62 4.49 -0.21 3.32 1.04 -1.26 -0.69 113.70 121.02 1vee s SER 50 Ca -0.06 -1.51 -0.04 0.00 0.48 0.00 0.00 55.95 54.82 1vee s SER 50 Cb -0.08 -1.56 0.09 0.00 0.10 0.00 0.00 66.02 64.57 1vee s SER 50 CO -0.02 -0.22 0.18 -0.89 0.98 0.00 0.00 173.24 173.28 1vee s THR 51 N 1.07 -0.24 0.03 2.02 2.01 -0.03 -4.99 115.64 115.51 1vee s THR 51 Ca -0.06 -0.21 -0.32 0.00 0.31 0.00 0.00 61.69 61.41 1vee s THR 51 Cb -0.20 -0.70 -0.11 0.00 0.01 0.00 0.00 72.50 71.50 1vee s THR 51 CO -0.05 -0.29 1.85 0.55 -0.69 0.00 0.00 174.62 175.99 1vee n VAL 52 N 5.30 0.49 -2.40 3.82 3.14 -1.26 -4.17 118.33 123.25 1vee n VAL 52 Ca -0.06 -0.09 -0.34 0.00 -2.96 0.00 0.00 64.34 60.90 1vee n VAL 52 Cb 0.49 -2.00 -0.02 0.00 -1.06 0.00 0.00 33.84 31.25 1vee n VAL 52 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1vee s TYR 53 N 3.38 2.96 -0.26 1.45 5.04 -1.14 -5.01 117.35 123.77 1vee s TYR 53 Ca 0.87 1.56 -0.06 0.00 -2.44 0.00 0.00 57.07 57.00 1vee s TYR 53 Cb -0.57 -3.08 0.13 0.00 0.35 0.00 0.00 41.96 38.79 1vee s TYR 53 CO 0.44 -0.98 0.53 1.21 -1.34 0.00 0.00 175.55 175.41 1vee s ASN 54 N -2.14 -0.74 0.64 4.32 2.47 -1.26 -4.99 114.94 113.24 1vee s ASN 54 Ca 0.67 1.05 0.39 0.00 0.42 0.00 0.00 52.86 55.38 1vee s ASN 54 Cb -0.17 1.82 2.18 0.00 -1.45 0.00 0.00 41.25 43.63 1vee s ASN 54 CO 0.25 -0.24 2.32 1.23 -3.72 0.00 0.00 177.10 176.93 1vee h GLY 55 N 8.08 0.00 2.00 1.21 0.00 -1.99 -1.16 103.07 111.20 1vee h GLY 55 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1vee h GLY 55 CO 0.17 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.54 1vee h GLU 56 N 0.00 0.00 -0.23 4.80 5.08 -2.03 -3.31 114.58 118.88 1vee h GLU 56 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1vee h GLU 56 Cb 0.01 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.00 1vee h GLU 56 CO 0.00 0.00 -0.80 -3.47 -1.00 0.00 0.00 179.01 173.74 1vee n ASP 57 N -2.33 2.23 -0.31 1.42 2.03 -0.44 -4.94 116.55 114.20 1vee n ASP 57 Ca 0.04 -3.10 -0.03 0.00 0.52 0.00 0.00 54.79 52.22 1vee n ASP 57 Cb 0.37 -0.42 0.02 0.00 -0.72 0.00 0.00 41.12 40.37 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vee h LYS 58 N 1.51 -0.07 -0.21 -0.67 1.57 -1.64 0.16 116.57 117.22 1vee h LYS 58 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1vee h LYS 58 Cb 1.39 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1vee h LYS 58 CO 0.22 -0.05 0.07 -1.00 -0.57 0.00 0.00 179.45 178.12 1vee h PRO 59 N -0.07 0.32 0.00 3.15 0.13 -1.92 -0.21 132.00 133.40 1vee h PRO 59 Ca 0.29 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1vee h PRO 59 Cb 0.57 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1vee h PRO 59 CO -0.86 0.41 -0.13 0.78 -0.23 0.00 0.00 178.00 177.97 1vee h GLY 60 N 0.17 0.00 0.97 1.56 0.00 -1.76 -1.81 103.07 102.20 1vee h GLY 60 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.05 1vee h GLY 60 CO -0.00 0.00 -1.72 -2.75 0.00 0.00 0.00 176.54 172.07 1vee h PHE 61 N 0.00 0.75 -0.16 5.60 3.57 -0.49 -3.34 116.94 122.87 1vee h PHE 61 Ca -0.00 -0.55 -0.01 0.00 3.53 0.00 0.00 57.97 60.94 1vee h PHE 61 Cb 0.37 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1vee h PHE 61 CO 0.00 1.66 0.06 -0.07 -2.23 0.00 0.00 178.31 177.73 1vee h LEU 62 N 0.11 0.23 -1.23 0.59 3.38 -0.69 -2.87 115.31 114.83 1vee h LEU 62 Ca -0.33 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 57.62 1vee h LEU 62 Cb 2.11 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.72 1vee h LEU 62 CO 0.19 0.35 0.60 0.07 0.09 0.00 0.00 178.44 179.73 1vee h LYS 63 N 0.09 0.67 -0.01 1.13 2.10 -1.50 -0.37 116.57 118.67 1vee h LYS 63 Ca 0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1vee h LYS 63 Cb 0.20 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1vee h LYS 63 CO -0.00 0.44 0.01 0.87 -2.00 0.00 0.00 179.45 178.77 1vee h LYS 64 N 0.69 0.00 0.00 0.07 1.57 -1.62 0.24 116.57 117.52 1vee h LYS 64 Ca 0.49 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.13 1vee h LYS 64 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1vee h LYS 64 CO -0.25 0.00 -0.82 -0.07 -0.57 0.00 0.00 179.45 177.74 1vee h LEU 65 N 0.00 0.00 -2.09 2.94 -0.00 -1.17 -3.35 115.31 111.64 1vee h LEU 65 Ca 0.01 -0.63 0.10 0.00 -0.00 0.00 0.00 57.88 57.35 1vee h LEU 65 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1vee h LEU 65 CO -0.00 1.29 0.32 -1.28 -0.00 0.00 0.00 178.44 178.77 1vee h SER 66 N -1.00 0.00 1.31 -0.43 0.87 -1.07 0.88 113.55 114.11 1vee h SER 66 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1vee h SER 66 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1vee h SER 66 CO -0.13 0.00 -0.52 0.17 -0.53 0.00 0.00 176.83 175.82 1vee h LEU 67 N 0.00 0.00 0.00 2.23 8.10 -1.11 -3.38 115.31 121.14 1vee h LEU 67 Ca 0.16 -0.05 -0.39 0.00 0.11 0.00 0.00 57.88 57.70 1vee h LEU 67 Cb 0.80 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.96 1vee h LEU 67 CO -0.00 0.02 -2.31 2.29 -4.11 0.00 0.00 178.44 174.34 1vee n LYS 68 N -2.63 0.58 -2.37 0.17 -0.00 -0.20 -4.77 118.16 108.94 1vee n LYS 68 Ca 0.02 0.25 -0.40 0.00 -0.00 0.00 0.00 58.31 58.19 1vee n LYS 68 Cb 0.51 -1.48 -0.03 0.00 -0.00 0.00 0.00 35.03 34.02 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 -2.57 2.08 0.43 5.58 0.08 0.13 -4.86 117.98 118.85 1vee s PHE 69 Ca -0.37 0.18 0.13 0.00 0.12 0.00 0.00 56.93 56.99 1vee s PHE 69 Cb 0.13 -4.44 1.00 0.00 -0.57 0.00 0.00 43.02 39.15 1vee s PHE 69 CO 0.48 -2.13 1.99 1.57 -0.10 0.00 0.00 175.22 177.04 1vee h LYS 70 N 11.64 0.42 -2.68 0.44 2.10 -1.86 -3.32 116.57 123.30 1vee h LYS 70 Ca -0.22 -0.03 -0.60 0.00 -2.00 0.00 0.00 60.65 57.80 1vee h LYS 70 Cb 1.08 -0.09 -0.40 0.00 -0.90 0.00 0.00 32.23 31.92 1vee h LYS 70 CO 1.27 0.28 -0.81 -0.51 -2.00 0.00 0.00 179.45 177.68 1vee s ASP 71 N -6.32 2.89 0.45 7.07 1.01 -1.26 -4.97 116.67 115.53 1vee s ASP 71 Ca -0.08 -3.33 0.22 0.00 0.71 0.00 0.00 52.55 50.06 1vee s ASP 71 Cb 0.19 -0.93 1.09 0.00 1.01 0.00 0.00 42.92 44.28 1vee s ASP 71 CO 0.75 -0.14 1.94 1.55 0.21 0.00 0.00 175.17 179.47 1vee h PRO 72 N 5.63 0.00 0.00 8.23 0.13 -1.89 -3.17 132.00 140.93 1vee h PRO 72 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1vee h PRO 72 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1vee h PRO 72 CO 0.51 0.23 0.25 1.05 -0.23 0.00 0.00 178.00 179.81 1vee h GLU 73 N 0.00 0.00 0.00 0.86 4.11 -1.92 -0.57 114.58 117.06 1vee h GLU 73 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1vee h GLU 73 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1vee h GLU 73 CO 0.03 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.38 1vee n ASN 74 N -2.71 0.63 -4.35 3.06 0.23 -1.20 -4.11 115.26 106.82 1vee n ASN 74 Ca -0.02 -1.27 -0.40 0.00 -0.53 0.00 0.00 54.58 52.35 1vee n ASN 74 Cb 0.30 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.89 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 -0.27 4.45 0.18 5.53 2.01 -0.69 -4.68 115.64 122.16 1vee s THR 75 Ca 0.00 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 1vee s THR 75 Cb 0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 1vee s THR 75 CO 0.00 -0.28 0.91 -0.89 -0.69 0.00 0.00 174.62 173.67 1vee s THR 76 N 1.52 4.28 -0.41 -0.82 2.01 -1.19 -3.68 115.64 117.35 1vee s THR 76 Ca 0.02 2.01 -0.02 0.00 0.31 0.00 0.00 61.69 64.00 1vee s THR 76 Cb -0.20 -4.29 0.11 0.00 0.01 0.00 0.00 72.50 68.13 1vee s THR 76 CO 0.06 0.44 0.20 -0.76 -0.69 0.00 0.00 174.62 173.87 1vee s LEU 77 N -0.74 5.22 -0.37 4.42 1.43 -0.62 -0.71 118.68 127.31 1vee s LEU 77 Ca 0.42 -2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.16 1vee s LEU 77 Cb -0.24 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1vee s LEU 77 CO 0.30 -0.53 1.29 -0.31 0.23 0.00 0.00 176.35 177.34 1vee s TYR 78 N 1.08 2.64 0.27 0.29 1.51 -0.07 -3.00 117.35 120.06 1vee s TYR 78 Ca 0.09 0.80 -0.28 0.00 -1.01 0.00 0.00 57.07 56.67 1vee s TYR 78 Cb -0.22 -4.13 -0.09 0.00 -0.11 0.00 0.00 41.96 37.41 1vee s TYR 78 CO -0.04 -1.66 0.92 0.42 -1.11 0.00 0.00 175.55 174.08 1vee s ILE 79 N 4.71 4.16 -0.02 2.71 -1.09 0.43 -0.41 121.20 131.69 1vee s ILE 79 Ca 0.56 1.93 0.01 0.00 -2.23 0.00 0.00 60.65 60.91 1vee s ILE 79 Cb -0.14 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1vee s ILE 79 CO 0.27 0.35 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.10 1vee s LEU 80 N -1.55 1.48 0.33 2.97 2.96 -0.96 -2.30 118.68 121.62 1vee s LEU 80 Ca 0.44 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 1vee s LEU 80 Cb -0.23 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 1vee s LEU 80 CO 0.28 -0.05 0.16 -1.81 -1.32 0.00 0.00 176.35 173.61 1vee s ASP 81 N 0.62 1.91 0.09 3.68 1.11 -1.26 -2.92 116.67 119.90 1vee s ASP 81 Ca -0.06 -1.60 -0.30 0.00 0.18 0.00 0.00 52.55 50.77 1vee s ASP 81 Cb -0.09 0.41 -0.15 0.00 1.07 0.00 0.00 42.92 44.15 1vee s ASP 81 CO -0.01 -0.90 1.64 0.11 1.18 0.00 0.00 175.17 177.19 1vee h LYS 82 N 2.09 -0.67 0.00 8.23 1.57 -1.95 -2.77 116.57 123.08 1vee h LYS 82 Ca -0.33 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1vee h LYS 82 Cb 1.25 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1vee h LYS 82 CO 0.52 -0.44 0.00 1.19 -0.57 0.00 0.00 179.45 180.15 1vee n PHE 83 N -5.42 0.00 0.16 -1.35 3.72 -1.26 -1.35 117.46 111.96 1vee n PHE 83 Ca -0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 1vee n PHE 83 Cb 0.32 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.94 1vee n PHE 83 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1vee n ASP 84 N 0.00 0.00 0.00 4.37 2.03 -1.26 -3.33 116.55 118.35 1vee n ASP 84 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1vee n ASP 84 Cb 0.00 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1vee n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vee n GLY 85 N -1.00 0.00 0.00 0.27 0.00 -1.26 -3.92 105.19 99.28 1vee n GLY 85 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 -0.14 1.61 3.02 -1.26 -5.01 115.26 113.48 1vee n ASN 86 Ca 0.00 -1.00 -0.04 0.00 -0.03 0.00 0.00 54.58 53.51 1vee n ASN 86 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.00 -0.36 -0.17 6.41 7.64 -1.25 -1.03 113.62 124.87 1vee n SER 87 Ca 0.00 0.73 -0.04 0.00 1.01 0.00 0.00 58.87 60.57 1vee n SER 87 Cb 0.37 -0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.47 -0.14 1.43 4.39 -1.90 0.61 114.58 119.44 1vee h GLU 88 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1vee h GLU 88 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1vee h GLU 88 CO -0.32 0.31 0.06 1.25 -1.16 0.00 0.00 179.01 179.16 1vee h LEU 89 N 0.49 0.20 -1.04 1.33 7.12 -1.49 -1.63 115.31 120.28 1vee h LEU 89 Ca 0.23 -0.16 -0.08 0.00 0.13 0.00 0.00 57.88 58.00 1vee h LEU 89 Cb 0.15 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 1vee h LEU 89 CO -0.16 0.30 -0.15 0.58 -0.13 0.00 0.00 178.44 178.88 1vee h VAL 90 N 0.08 1.24 -0.32 1.05 2.07 -1.01 -0.79 116.25 118.57 1vee h VAL 90 Ca 0.05 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1vee h VAL 90 Cb 0.17 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1vee h VAL 90 CO -0.00 0.35 0.10 0.00 0.02 0.00 0.00 177.57 178.03 1vee h ALA 91 N 1.38 0.42 -0.46 1.67 0.00 -0.63 -1.84 119.26 119.80 1vee h ALA 91 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1vee h ALA 91 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1vee h ALA 91 CO 0.03 0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.26 1vee h GLU 92 N 0.36 0.82 0.24 0.00 5.08 -1.05 -1.52 114.58 118.52 1vee h GLU 92 Ca 0.10 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1vee h GLU 92 Cb 0.25 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1vee h GLU 92 CO -0.00 0.89 -0.47 1.25 -1.00 0.00 0.00 179.01 179.67 1vee h LEU 93 N 0.67 -1.36 -0.77 1.33 5.85 -0.95 0.78 115.31 120.86 1vee h LEU 93 Ca 0.13 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 1vee h LEU 93 Cb 0.52 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1vee h LEU 93 CO 0.03 -0.56 -0.05 -0.37 -0.34 0.00 0.00 178.44 177.14 1vee h VAL 94 N -0.79 1.26 -0.79 1.05 -1.51 -1.37 -1.84 116.25 112.26 1vee h VAL 94 Ca -0.01 -1.13 0.01 0.00 -1.23 0.00 0.00 66.70 64.34 1vee h VAL 94 Cb 0.76 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 30.81 1vee h VAL 94 CO -0.19 0.40 0.52 0.00 -1.23 0.00 0.00 177.57 177.07 1vee h ALA 95 N 1.14 1.00 -0.07 5.19 0.00 -0.82 -0.63 119.26 125.08 1vee h ALA 95 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1vee h ALA 95 Cb 0.55 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vee h ALA 95 CO 0.03 0.41 -0.38 -0.07 0.00 0.00 0.00 179.25 179.24 1vee h LEU 96 N 1.06 0.46 -1.22 0.00 4.07 -0.76 -3.29 115.31 115.63 1vee h LEU 96 Ca 0.29 -0.66 0.11 0.00 0.08 0.00 0.00 57.88 57.71 1vee h LEU 96 Cb -0.11 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 41.42 1vee h LEU 96 CO -0.07 1.04 0.58 0.78 -1.08 0.00 0.00 178.44 179.69 1vee h ASN 97 N -0.09 0.76 0.00 -0.43 2.35 -1.11 -3.45 115.58 113.60 1vee h ASN 97 Ca -0.03 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vee h ASN 97 Cb 1.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1vee h ASN 97 CO 0.08 0.42 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 1vee n GLY 98 N -1.41 0.07 3.77 2.83 0.00 -0.93 -5.11 105.19 104.41 1vee n GLY 98 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1vee n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vee s PHE 99 N 0.00 2.98 0.18 1.61 0.40 -0.29 -3.68 117.98 119.18 1vee s PHE 99 Ca 0.00 1.46 -0.26 0.00 -0.60 0.00 0.00 56.93 57.53 1vee s PHE 99 Cb 0.00 -3.59 0.05 0.00 0.51 0.00 0.00 43.02 39.98 1vee s PHE 99 CO 0.00 -1.77 1.55 -0.22 0.70 0.00 0.00 175.22 175.48 1vee h LYS 100 N 2.94 -0.06 -2.43 0.44 1.63 -1.21 -3.39 116.57 114.49 1vee h LYS 100 Ca -0.49 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.48 1vee h LYS 100 Cb 1.24 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.82 1vee h LYS 100 CO 0.64 -0.04 0.51 0.45 -3.45 0.00 0.00 179.45 177.56 1vee s SER 101 N -5.37 -0.10 -0.03 4.20 0.15 -1.26 -4.99 113.70 106.29 1vee s SER 101 Ca -0.13 -0.54 -0.21 0.00 0.70 0.00 0.00 55.95 55.77 1vee s SER 101 Cb 0.14 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1vee s SER 101 CO 0.66 -0.97 0.45 0.00 1.20 0.00 0.00 173.24 174.58 1vee s ALA 102 N -2.82 -1.15 -0.08 5.45 0.00 -1.26 -1.58 121.76 120.31 1vee s ALA 102 Ca 0.16 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 1vee s ALA 102 Cb -0.02 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1vee s ALA 102 CO 0.04 -0.30 -0.03 0.71 0.00 0.00 0.00 175.76 176.18 1vee s TYR 103 N -1.22 0.96 -0.68 0.00 1.51 -1.16 -4.65 117.35 112.11 1vee s TYR 103 Ca -0.12 -0.36 -0.21 0.00 -1.01 0.00 0.00 57.07 55.37 1vee s TYR 103 Cb -0.03 -0.92 0.09 0.00 -0.11 0.00 0.00 41.96 40.99 1vee s TYR 103 CO 0.06 -0.36 0.90 0.00 -1.11 0.00 0.00 175.55 175.04 1vee s ALA 104 N 1.66 3.27 -0.01 3.71 0.00 0.40 -0.43 121.76 130.35 1vee s ALA 104 Ca 0.02 -2.13 -0.30 0.00 0.00 0.00 0.00 51.96 49.55 1vee s ALA 104 Cb -0.13 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.15 1vee s ALA 104 CO -0.05 -2.66 1.78 0.42 0.00 0.00 0.00 175.76 175.26 1vee s ILE 105 N 3.34 3.34 0.86 0.00 1.09 -0.97 -3.05 121.20 125.81 1vee s ILE 105 Ca 0.20 0.42 -0.12 0.00 -1.10 0.00 0.00 60.65 60.05 1vee s ILE 105 Cb -0.17 -3.27 0.11 0.00 -1.06 0.00 0.00 42.46 38.06 1vee s ILE 105 CO 0.06 -0.04 1.10 -0.75 -0.10 0.00 0.00 174.94 175.21 1vee s LYS 106 N 4.18 1.56 -1.00 2.79 2.47 -1.25 -3.93 119.74 124.57 1vee s LYS 106 Ca 0.80 0.70 0.00 0.00 -1.56 0.00 0.00 55.97 55.91 1vee s LYS 106 Cb -0.37 -1.85 0.00 0.00 -1.46 0.00 0.00 37.83 34.14 1vee s LYS 106 CO 0.35 -2.00 0.00 -0.25 0.16 0.00 0.00 175.35 173.60 1vee n ASP 107 N -3.70 -5.00 0.00 1.43 8.00 -1.26 -4.21 116.55 111.81 1vee n ASP 107 Ca 0.07 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1vee n ASP 107 Cb 0.56 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 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 -0.68 3.75 0.00 0.44 0.00 -1.21 -1.15 105.19 106.34 1vee n GLY 108 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 11.87 1.44 0.05 4.61 0.00 -0.46 -3.81 120.51 134.21 1vee n ALA 109 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1vee n ALA 109 Cb 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 1vee n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vee h GLU 110 N 0.00 0.00 -7.56 0.00 5.08 -1.56 -2.88 114.58 107.66 1vee h GLU 110 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 1vee h GLU 110 Cb 0.30 0.00 0.19 0.00 0.50 0.00 0.00 28.75 29.74 1vee h GLU 110 CO 0.00 0.56 0.24 0.20 -1.00 0.00 0.00 179.01 179.00 1vee s GLY 111 N -4.77 1.67 0.14 -3.84 0.00 -0.30 -4.84 107.32 95.36 1vee s GLY 111 Ca -0.01 -1.11 -0.21 0.00 0.00 0.00 0.00 44.72 43.39 1vee s GLY 111 CO 0.80 -0.24 1.68 -0.56 0.00 0.00 0.00 173.10 174.78 1vee h PRO 112 N -2.32 -0.11 -0.24 2.90 0.13 -1.93 -1.22 132.00 129.20 1vee h PRO 112 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1vee h PRO 112 Cb 1.26 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1vee h PRO 112 CO 0.32 -0.07 0.00 0.54 -0.23 0.00 0.00 178.00 178.56 1vee n ARG 113 N -5.27 1.70 -2.14 0.86 5.12 -1.26 -4.25 116.66 111.41 1vee n ARG 113 Ca -0.02 -1.07 -0.33 0.00 -1.93 0.00 0.00 57.85 54.49 1vee n ARG 113 Cb 0.19 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1vee s GLY 114 N -1.27 2.24 0.07 -0.13 0.00 -0.46 -2.34 107.32 105.42 1vee s GLY 114 Ca 0.26 0.47 -0.13 0.00 0.00 0.00 0.00 44.72 45.33 1vee s GLY 114 CO 0.20 0.80 0.93 1.87 0.00 0.00 0.00 173.10 176.90 1vee n TRP 115 N -1.79 -0.18 0.13 1.90 -0.00 -1.20 -0.19 117.44 116.10 1vee n TRP 115 Ca 0.09 0.52 -0.13 0.00 -0.00 0.00 0.00 57.50 57.99 1vee n TRP 115 Cb 0.53 -0.47 -0.06 0.00 -0.00 0.00 0.00 31.31 31.30 1vee n TRP 115 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1vee h LEU 116 N 0.00 -0.62 -1.18 5.87 3.38 -1.78 -2.29 115.31 118.70 1vee h LEU 116 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vee h LEU 116 Cb 0.17 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1vee h LEU 116 CO -0.39 -0.32 0.00 -1.13 0.09 0.00 0.00 178.44 176.68 1vee h ASN 117 N -0.45 0.00 -0.26 -0.43 -0.73 -1.44 -2.36 115.58 109.90 1vee h ASN 117 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1vee h ASN 117 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1vee h ASN 117 CO -0.09 0.00 0.00 -0.24 -0.37 0.00 0.00 177.43 176.73 1vee n SER 118 N -2.34 1.62 -1.27 1.15 2.88 0.73 -4.88 113.62 111.51 1vee n SER 118 Ca 0.00 -1.89 -0.16 0.00 -1.33 0.00 0.00 58.87 55.49 1vee n SER 118 Cb 0.14 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vee n SER 119 N 0.35 -4.92 -4.89 -3.46 2.88 -0.89 -4.83 113.62 97.87 1vee n SER 119 Ca 0.12 0.37 -0.29 0.00 -1.33 0.00 0.00 58.87 57.74 1vee n SER 119 Cb 0.28 -3.84 -0.01 0.00 -0.75 0.00 0.00 64.21 59.89 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vee s LEU 120 N -3.71 3.56 0.51 2.46 1.43 -1.11 -5.07 118.68 116.76 1vee s LEU 120 Ca 0.00 1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 1vee s LEU 120 Cb 0.00 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 1vee s LEU 120 CO 0.00 -0.62 1.01 -2.16 0.23 0.00 0.00 176.35 174.81 1vee s PRO 121 N -4.63 3.81 -0.13 1.29 0.04 -1.26 -4.66 135.00 129.47 1vee s PRO 121 Ca 0.51 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1vee s PRO 121 Cb -0.10 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1vee s PRO 121 CO 0.44 -0.39 0.39 -0.46 0.04 0.00 0.00 177.00 177.02 1vee s TRP 122 N -2.38 -0.41 -1.26 0.56 -0.11 -1.26 -3.47 118.94 110.61 1vee s TRP 122 Ca 0.62 0.96 -0.18 0.00 1.22 0.00 0.00 56.10 58.72 1vee s TRP 122 Cb -0.12 0.15 0.08 0.00 -1.50 0.00 0.00 33.47 32.08 1vee s TRP 122 CO 0.27 -0.25 1.67 0.42 -4.62 0.00 0.00 176.95 174.44 1vee s ILE 123 N -0.04 4.23 -0.16 5.86 1.01 1.00 -4.89 121.20 128.21 1vee s ILE 123 Ca -0.02 -1.91 -0.29 0.00 0.00 0.00 0.00 60.65 58.42 1vee s ILE 123 Cb -0.03 -5.15 -0.00 0.00 0.01 0.00 0.00 42.46 37.29 1vee s ILE 123 CO 0.01 -1.96 1.07 -1.61 0.00 0.00 0.00 174.94 172.45 1vee s GLU 124 N 3.93 4.32 1.12 2.79 2.02 -1.26 -2.54 118.70 129.07 1vee s GLU 124 Ca 0.52 1.44 -0.16 0.00 0.02 0.00 0.00 54.97 56.78 1vee s GLU 124 Cb 0.03 -3.61 0.25 0.00 0.10 0.00 0.00 34.13 30.89 1vee s GLU 124 CO 0.05 -0.51 1.10 -1.25 0.02 0.00 0.00 175.26 174.67 1vee s PRO 125 N 2.74 -0.55 -0.24 0.39 0.04 -1.26 -4.91 135.00 131.21 1vee s PRO 125 Ca 0.48 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 1vee s PRO 125 Cb -0.18 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1vee s PRO 125 CO 0.13 -3.31 1.76 0.21 0.04 0.00 0.00 177.00 175.83 1vee s LYS 126 N -5.22 3.61 0.51 4.56 2.36 -1.26 -4.96 119.74 119.34 1vee s LYS 126 Ca 0.69 1.70 0.01 0.00 -2.55 0.00 0.00 55.97 55.81 1vee s LYS 126 Cb -0.13 -4.13 -0.00 0.00 -1.05 0.00 0.00 37.83 32.51 1vee s LYS 126 CO 0.57 -1.53 0.02 -1.59 1.55 0.00 0.00 175.35 174.37 1vee s LYS 127 N 5.13 2.20 0.84 4.03 -2.85 -1.26 -5.11 119.74 122.73 1vee s LYS 127 Ca 0.78 -2.42 -0.06 0.00 -1.00 0.00 0.00 55.97 53.27 1vee s LYS 127 Cb -0.26 -1.37 0.18 0.00 -2.06 0.00 0.00 37.83 34.31 1vee s LYS 127 CO 0.32 -0.43 1.15 -0.08 0.10 0.00 0.00 175.35 176.40 1vee s THR 128 N -2.94 2.01 0.30 3.79 -1.32 -1.26 -5.13 115.64 111.09 1vee s THR 128 Ca 0.04 -0.39 0.04 0.00 -1.21 0.00 0.00 61.69 60.17 1vee s THR 128 Cb 0.00 -2.62 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1vee s THR 128 CO 0.02 0.00 0.03 -0.94 -2.21 0.00 0.00 174.62 171.52 1vee s SER 129 N -4.86 2.36 0.00 8.08 1.04 -1.26 -5.11 113.70 113.96 1vee s SER 129 Ca 0.71 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1vee s SER 129 Cb -0.03 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1vee s SER 129 CO 0.48 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1vee n GLY 130 N -0.63 2.54 3.86 7.32 0.00 -1.26 -5.09 105.19 111.93 1vee n GLY 130 Ca -0.03 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1vee n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vee s PRO 131 N -4.70 2.42 -0.18 1.61 0.04 -1.26 -5.10 135.00 127.83 1vee s PRO 131 Ca 0.00 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.35 1vee s PRO 131 Cb 0.00 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.62 1vee s PRO 131 CO 0.00 -1.35 0.46 0.45 0.04 0.00 0.00 177.00 176.61 1vee s SER 132 N -4.24 -0.51 0.35 6.66 0.15 -1.26 -5.18 113.70 109.66 1vee s SER 132 Ca 0.60 0.95 0.03 0.00 0.70 0.00 0.00 55.95 58.23 1vee s SER 132 Cb -0.12 0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1vee s SER 132 CO 0.52 -0.17 0.38 -0.94 1.20 0.00 0.00 173.24 174.23 1vee s SER 133 N 0.59 1.41 0.00 5.45 1.04 -1.26 -5.33 113.70 115.60 1vee s SER 133 Ca -0.03 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 54.74 1vee s SER 133 Cb -0.05 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1vee s SER 133 CO -0.04 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.60