#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 0.00 -0.00 1.61 2.88 -1.26 -5.03 113.62 111.82 1vee n SER 2 Ca 0.00 -0.98 -0.10 0.00 -1.33 0.00 0.00 58.87 56.47 1vee n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1vee n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1vee h SER 3 N 0.00 -0.23 -2.96 -3.46 0.87 -2.04 -3.41 113.55 102.33 1vee h SER 3 Ca 0.00 0.05 -0.49 0.00 -1.23 0.00 0.00 61.79 60.12 1vee h SER 3 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1vee h SER 3 CO 0.00 -0.10 -0.17 -0.83 -0.53 0.00 0.00 176.83 175.20 1vee s GLY 4 N -2.51 1.52 0.08 5.77 0.00 -1.26 -4.85 107.32 106.07 1vee s GLY 4 Ca -0.14 -0.79 0.09 0.00 0.00 0.00 0.00 44.72 43.89 1vee s GLY 4 CO 0.68 -0.71 -0.25 -0.56 0.00 0.00 0.00 173.10 172.26 1vee s SER 5 N -3.75 3.01 0.26 1.64 0.01 -1.26 -4.60 113.70 109.01 1vee s SER 5 Ca 0.41 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 1vee s SER 5 Cb -0.10 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1vee s SER 5 CO 0.35 0.19 0.30 -0.94 0.41 0.00 0.00 173.24 173.54 1vee s SER 6 N -1.60 0.51 0.00 2.44 1.04 -1.26 -0.90 113.70 113.93 1vee s SER 6 Ca 0.11 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1vee s SER 6 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1vee s SER 6 CO 0.04 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1vee n GLY 7 N -0.41 -0.06 3.17 7.32 0.00 -1.20 -4.79 105.19 109.21 1vee n GLY 7 Ca 0.02 0.54 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 1vee n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 8 N 2.00 0.73 0.08 1.61 1.04 -1.26 -3.82 113.70 114.08 1vee s SER 8 Ca 0.00 -1.12 -0.20 0.00 0.48 0.00 0.00 55.95 55.11 1vee s SER 8 Cb 0.00 0.20 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 1vee s SER 8 CO 0.00 -0.62 1.58 0.00 0.98 0.00 0.00 173.24 175.18 1vee h ALA 9 N 2.89 0.27 0.07 5.32 0.00 -1.83 -1.00 119.26 124.97 1vee h ALA 9 Ca -0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1vee h ALA 9 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1vee h ALA 9 CO 0.62 -0.09 -0.03 0.87 0.00 0.00 0.00 179.25 180.63 1vee h LYS 10 N 0.15 -0.08 -0.59 0.00 1.57 -1.89 -1.63 116.57 114.10 1vee h LYS 10 Ca 0.06 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1vee h LYS 10 Cb 0.26 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1vee h LYS 10 CO 0.00 -0.04 0.34 -0.97 -0.57 0.00 0.00 179.45 178.21 1vee h ASN 11 N -0.10 0.73 0.24 0.86 -1.24 -1.96 -1.55 115.58 112.56 1vee h ASN 11 Ca -0.01 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1vee h ASN 11 Cb 0.08 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.95 1vee h ASN 11 CO 0.01 0.60 -0.03 0.00 -1.29 0.00 0.00 177.43 176.72 1vee h ALA 12 N 1.16 1.19 0.23 1.57 0.00 -0.94 -2.58 119.26 119.90 1vee h ALA 12 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1vee h ALA 12 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vee h ALA 12 CO -0.04 0.04 -0.11 -0.92 0.00 0.00 0.00 179.25 178.22 1vee h TYR 13 N 0.00 -0.29 -0.68 0.00 3.20 -0.30 -3.29 116.97 115.61 1vee h TYR 13 Ca -0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1vee h TYR 13 Cb 0.17 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.44 1vee h TYR 13 CO 0.00 0.05 0.20 1.15 -1.64 0.00 0.00 178.16 177.92 1vee h THR 14 N -0.95 0.62 -0.01 1.81 2.02 -1.29 -0.82 112.91 114.28 1vee h THR 14 Ca -0.03 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1vee h THR 14 Cb 0.48 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1vee h THR 14 CO 0.05 0.06 0.15 0.11 0.37 0.00 0.00 175.52 176.26 1vee h LYS 15 N 0.32 0.00 0.00 6.66 1.79 -1.56 0.34 116.57 124.12 1vee h LYS 15 Ca 0.37 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.63 1vee h LYS 15 Cb 0.57 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1vee h LYS 15 CO -0.43 0.00 -1.08 -0.07 -1.08 0.00 0.00 179.45 176.80 1vee h LEU 16 N 0.00 0.00 0.10 2.94 3.38 -1.21 -3.19 115.31 117.32 1vee h LEU 16 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1vee h LEU 16 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1vee h LEU 16 CO -0.00 0.93 -1.56 1.23 0.09 0.00 0.00 178.44 179.12 1vee h GLY 17 N 3.17 0.23 2.00 0.83 0.00 -1.02 -3.34 103.07 104.94 1vee h GLY 17 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1vee h GLY 17 CO 0.11 0.52 0.00 -1.30 0.00 0.00 0.00 176.54 175.87 1vee n THR 18 N -3.40 0.71 -4.57 4.70 -2.24 -0.42 -4.85 114.28 104.22 1vee n THR 18 Ca -0.17 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 1vee n THR 18 Cb 1.04 -0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vee s ASP 19 N -4.32 3.12 -0.10 3.42 2.15 -1.21 -5.08 116.67 114.66 1vee s ASP 19 Ca 0.07 -1.58 -0.01 0.00 0.43 0.00 0.00 52.55 51.46 1vee s ASP 19 Cb 0.11 0.30 -0.06 0.00 -0.30 0.00 0.00 42.92 42.97 1vee s ASP 19 CO 0.48 -0.80 -0.10 -0.67 -0.17 0.00 0.00 175.17 173.91 1vee n ASP 20 N -1.13 2.40 -0.03 -0.34 2.03 -1.26 -4.64 116.55 113.59 1vee n ASP 20 Ca -0.08 0.01 0.15 0.00 0.52 0.00 0.00 54.79 55.39 1vee n ASP 20 Cb 0.66 -0.20 0.79 0.00 -0.72 0.00 0.00 41.12 41.65 1vee n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1vee n ASN 21 N -3.01 0.11 -4.66 1.67 3.02 -1.26 -4.75 115.26 106.39 1vee n ASN 21 Ca -0.18 -0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 53.43 1vee n ASN 21 Cb 0.67 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.36 3.65 0.03 5.41 0.00 -1.26 -1.82 121.76 125.42 1vee s ALA 22 Ca 0.35 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1vee s ALA 22 Cb 0.21 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1vee s ALA 22 CO 0.43 -1.16 -0.11 -0.65 0.00 0.00 0.00 175.76 174.27 1vee s GLN 23 N 3.41 0.76 0.23 0.00 -1.52 -0.12 -4.82 119.66 117.59 1vee s GLN 23 Ca 0.50 -0.66 -0.22 0.00 -1.95 0.00 0.00 55.36 53.02 1vee s GLN 23 Cb -0.18 -0.71 -0.08 0.00 -0.22 0.00 0.00 33.01 31.82 1vee s GLN 23 CO 0.11 0.17 0.78 -1.17 -0.25 0.00 0.00 175.29 174.93 1vee s LEU 24 N -1.07 4.39 -0.25 2.90 2.96 -1.26 -1.62 118.68 124.72 1vee s LEU 24 Ca -0.01 1.54 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 1vee s LEU 24 Cb -0.07 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.06 1vee s LEU 24 CO 0.01 0.05 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.79 1vee s LEU 25 N -1.84 3.15 -0.99 -0.68 2.96 0.31 -2.20 118.68 119.39 1vee s LEU 25 Ca 0.43 -1.35 -0.21 0.00 -0.22 0.00 0.00 54.13 52.78 1vee s LEU 25 Cb -0.18 -1.40 0.08 0.00 0.50 0.00 0.00 46.19 45.20 1vee s LEU 25 CO 0.22 -0.22 1.32 -1.81 -1.32 0.00 0.00 176.35 174.54 1vee s ASP 26 N 1.22 6.56 0.00 3.68 1.01 -0.43 -1.16 116.67 127.54 1vee s ASP 26 Ca -0.07 -1.71 0.31 0.00 0.71 0.00 0.00 52.55 51.79 1vee s ASP 26 Cb -0.19 -2.50 1.63 0.00 1.01 0.00 0.00 42.92 42.86 1vee s ASP 26 CO -0.06 -1.32 2.07 2.30 0.21 0.00 0.00 175.17 178.37 1vee n ILE 27 N 6.30 0.00 -0.59 0.77 -5.35 -0.39 -2.81 119.36 117.29 1vee n ILE 27 Ca 0.29 -0.08 -0.30 0.00 -0.27 0.00 0.00 62.75 62.40 1vee n ILE 27 Cb 0.50 -0.19 0.21 0.00 -1.74 0.00 0.00 39.64 38.42 1vee n ILE 27 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1vee n ARG 28 N -0.65 -1.39 -2.77 6.28 1.74 -1.24 -2.45 116.66 116.18 1vee n ARG 28 Ca 0.22 -0.36 -0.35 0.00 -0.77 0.00 0.00 57.85 56.60 1vee n ARG 28 Cb 0.19 -2.24 -0.06 0.00 -1.02 0.00 0.00 32.46 29.33 1vee n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vee s ALA 29 N -2.51 3.08 0.66 7.54 0.00 -1.26 -4.22 121.76 125.05 1vee s ALA 29 Ca 0.67 0.47 0.39 0.00 0.00 0.00 0.00 51.96 53.50 1vee s ALA 29 Cb -0.24 -3.18 2.17 0.00 0.00 0.00 0.00 23.12 21.87 1vee s ALA 29 CO 0.62 0.09 2.25 1.15 0.00 0.00 0.00 175.76 179.87 1vee h THR 30 N 2.12 0.07 -0.43 0.00 2.02 -1.98 -0.58 112.91 114.13 1vee h THR 30 Ca -0.48 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1vee h THR 30 Cb 1.19 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1vee h THR 30 CO 0.62 0.00 0.06 0.00 0.37 0.00 0.00 175.52 176.57 1vee h ALA 31 N 1.83 0.57 0.00 6.16 0.00 -2.01 -2.77 119.26 123.05 1vee h ALA 31 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1vee h ALA 31 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vee h ALA 31 CO -0.00 0.30 -0.07 -0.44 0.00 0.00 0.00 179.25 179.04 1vee h ASP 32 N 0.58 0.00 0.00 0.00 3.32 -1.45 -0.46 116.42 118.41 1vee h ASP 32 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1vee h ASP 32 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1vee h ASP 32 CO 0.01 0.07 0.01 -0.26 -1.72 0.00 0.00 179.24 177.35 1vee h PHE 33 N 0.00 0.00 0.00 4.55 -1.00 -1.53 0.15 116.94 119.12 1vee h PHE 33 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 1vee h PHE 33 Cb 0.14 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 1vee h PHE 33 CO 0.00 0.00 -1.72 0.54 -1.61 0.00 0.00 178.31 175.52 1vee n ARG 34 N -2.74 0.94 0.13 1.51 1.74 -0.31 -3.62 116.66 114.31 1vee n ARG 34 Ca -0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1vee n ARG 34 Cb 0.07 -1.26 0.11 0.00 -1.02 0.00 0.00 32.46 30.36 1vee n ARG 34 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vee h GLN 35 N 0.00 0.00 0.00 5.56 4.20 -0.77 -3.41 115.11 120.70 1vee h GLN 35 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1vee h GLN 35 Cb 1.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1vee h GLN 35 CO -0.03 0.62 -0.06 1.55 -0.67 0.00 0.00 178.83 180.25 1vee n VAL 36 N -3.46 0.00 0.00 -0.54 3.14 0.35 -5.00 118.33 112.82 1vee n VAL 36 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vee n VAL 36 Cb 0.70 0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.54 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 0.14 -0.34 3.21 7.55 0.00 -0.14 -4.33 105.19 111.28 1vee n GLY 37 Ca 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 0.05 0.55 1.61 1.04 -0.04 -3.79 113.70 109.13 1vee s SER 38 Ca 0.00 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.76 1vee s SER 38 Cb 0.00 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 1vee s SER 38 CO 0.00 -0.69 1.01 -2.16 0.98 0.00 0.00 173.24 172.38 1vee s PRO 39 N -3.43 3.74 -0.49 4.02 0.04 -1.26 0.31 135.00 137.93 1vee s PRO 39 Ca 0.02 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1vee s PRO 39 Cb 0.03 -2.10 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1vee s PRO 39 CO -0.09 -0.45 0.29 0.54 0.04 0.00 0.00 177.00 177.33 1vee s ASN 40 N -3.18 3.72 0.00 6.66 2.20 -1.18 -4.68 114.94 118.48 1vee s ASN 40 Ca 0.59 -2.90 0.09 0.00 -0.94 0.00 0.00 52.86 49.70 1vee s ASN 40 Cb -0.11 -1.16 0.52 0.00 -2.00 0.00 0.00 41.25 38.50 1vee s ASN 40 CO 0.36 -0.23 1.06 2.30 -2.94 0.00 0.00 177.10 177.65 1vee n ILE 41 N 3.20 0.00 -0.16 0.54 -5.35 -1.26 -3.53 119.36 112.79 1vee n ILE 41 Ca 0.11 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.72 1vee n ILE 41 Cb 0.35 -0.39 0.47 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.48 -0.94 6.28 6.56 -1.82 -1.64 116.57 125.48 1vee h LYS 42 Ca 0.00 -0.03 0.23 0.00 -1.06 0.00 0.00 60.65 59.79 1vee h LYS 42 Cb 0.00 -0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 31.48 1vee h LYS 42 CO 0.00 0.32 0.63 0.78 -2.06 0.00 0.00 179.45 179.11 1vee h GLY 43 N 0.49 0.85 0.95 3.86 0.00 -1.86 -0.66 103.07 106.71 1vee h GLY 43 Ca 0.35 -0.17 -0.30 0.00 0.00 0.00 0.00 47.33 47.20 1vee h GLY 43 CO -0.12 -0.03 -1.74 1.41 0.00 0.00 0.00 176.54 176.06 1vee h LEU 44 N 0.36 0.11 0.00 3.11 3.38 -1.61 -3.49 115.31 117.17 1vee h LEU 44 Ca 0.50 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1vee h LEU 44 Cb 1.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1vee h LEU 44 CO -0.18 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1vee n GLY 45 N 1.64 1.54 2.99 0.83 0.00 -0.25 -4.95 105.19 106.99 1vee n GLY 45 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 0.48 -3.84 1.61 4.76 -1.17 -4.99 118.16 115.01 1vee n LYS 46 Ca 0.00 -3.09 -0.15 0.00 -2.87 0.00 0.00 58.31 52.20 1vee n LYS 46 Cb 0.00 2.14 -0.16 0.00 -1.84 0.00 0.00 35.03 35.17 1vee n LYS 46 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1vee s LYS 47 N -3.32 0.08 0.74 1.97 -2.85 -1.26 -2.33 119.74 112.77 1vee s LYS 47 Ca 0.28 0.12 -0.11 0.00 -1.00 0.00 0.00 55.97 55.26 1vee s LYS 47 Cb 0.01 -0.28 0.04 0.00 -2.06 0.00 0.00 37.83 35.54 1vee s LYS 47 CO 0.20 -0.13 1.08 0.00 0.10 0.00 0.00 175.35 176.61 1vee s ALA 48 N 0.86 2.54 -0.09 0.59 0.00 -1.26 -4.59 121.76 119.81 1vee s ALA 48 Ca -0.08 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1vee s ALA 48 Cb -0.11 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1vee s ALA 48 CO -0.02 -1.41 -0.20 0.08 0.00 0.00 0.00 175.76 174.20 1vee s VAL 49 N -3.16 1.78 -0.72 0.00 1.01 -0.94 -5.00 120.40 113.36 1vee s VAL 49 Ca 0.59 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1vee s VAL 49 Cb -0.13 -1.55 0.16 0.00 0.00 0.00 0.00 36.38 34.85 1vee s VAL 49 CO 0.54 0.50 0.76 -0.94 0.00 0.00 0.00 175.10 175.96 1vee s SER 50 N 0.42 6.47 -0.44 3.32 1.04 -1.26 -1.32 113.70 121.93 1vee s SER 50 Ca -0.17 -2.06 0.02 0.00 0.48 0.00 0.00 55.95 54.22 1vee s SER 50 Cb -0.17 -2.27 0.13 0.00 0.10 0.00 0.00 66.02 63.81 1vee s SER 50 CO 0.07 -0.86 0.23 -0.89 0.98 0.00 0.00 173.24 172.77 1vee s THR 51 N 1.56 1.62 -0.28 2.02 2.01 -1.12 -5.02 115.64 116.43 1vee s THR 51 Ca 0.16 -2.62 -0.38 0.00 0.31 0.00 0.00 61.69 59.16 1vee s THR 51 Cb -0.17 -2.14 -0.14 0.00 0.01 0.00 0.00 72.50 70.07 1vee s THR 51 CO -0.03 -0.86 1.93 0.52 -0.69 0.00 0.00 174.62 175.50 1vee n VAL 52 N 3.56 0.31 -2.66 3.82 0.31 -1.26 -4.43 118.33 117.98 1vee n VAL 52 Ca 0.07 -0.13 -0.32 0.00 -0.01 0.00 0.00 64.34 63.96 1vee n VAL 52 Cb 0.35 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 1vee n VAL 52 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1vee s TYR 53 N 4.96 3.43 -0.23 3.52 5.04 -1.03 -4.91 117.35 128.14 1vee s TYR 53 Ca 1.02 1.33 -0.13 0.00 -2.44 0.00 0.00 57.07 56.84 1vee s TYR 53 Cb -0.95 -2.66 0.07 0.00 0.35 0.00 0.00 41.96 38.77 1vee s TYR 53 CO 0.58 -0.21 0.57 1.21 -1.34 0.00 0.00 175.55 176.36 1vee s ASN 54 N -2.91 -0.76 0.62 4.32 2.47 -1.26 -4.97 114.94 112.44 1vee s ASN 54 Ca 0.56 1.25 0.35 0.00 0.42 0.00 0.00 52.86 55.44 1vee s ASN 54 Cb -0.10 1.12 2.03 0.00 -1.45 0.00 0.00 41.25 42.85 1vee s ASN 54 CO 0.28 -0.22 2.30 1.23 -3.72 0.00 0.00 177.10 176.96 1vee h GLY 55 N 7.04 0.00 1.20 1.21 0.00 -2.00 -1.09 103.07 109.43 1vee h GLY 55 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1vee h GLY 55 CO 0.22 0.00 -0.29 1.18 0.00 0.00 0.00 176.54 177.65 1vee n GLU 56 N -3.60 0.16 -0.53 4.80 1.02 -1.26 -3.96 120.64 117.26 1vee n GLU 56 Ca -0.03 -0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.11 1vee n GLU 56 Cb 0.08 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.16 1vee n GLU 56 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1vee n ASP 57 N -1.36 1.73 -0.29 1.62 2.03 -0.43 -4.91 116.55 114.94 1vee n ASP 57 Ca 0.08 -3.37 -0.10 0.00 0.52 0.00 0.00 54.79 51.92 1vee n ASP 57 Cb 0.33 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.20 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 0.66 -0.15 -0.49 -0.67 1.57 -1.65 0.20 116.57 116.04 1vee h LYS 58 Ca -0.02 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1vee h LYS 58 Cb 1.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1vee h LYS 58 CO 0.01 -0.10 0.04 -1.00 -0.57 0.00 0.00 179.45 177.84 1vee h PRO 59 N -0.16 0.83 0.02 3.15 0.13 -1.92 -1.46 132.00 132.59 1vee h PRO 59 Ca 0.17 -0.24 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1vee h PRO 59 Cb 0.52 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1vee h PRO 59 CO -0.80 0.85 -0.16 0.78 -0.23 0.00 0.00 178.00 178.44 1vee h GLY 60 N 0.69 -0.22 0.56 1.56 0.00 -1.70 0.23 103.07 104.18 1vee h GLY 60 Ca 0.14 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.71 1vee h GLY 60 CO 0.02 -0.15 0.01 -2.75 0.00 0.00 0.00 176.54 173.66 1vee h PHE 61 N -0.27 0.01 -0.29 5.60 3.57 -0.59 -1.32 116.94 123.65 1vee h PHE 61 Ca 0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1vee h PHE 61 Cb 0.33 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1vee h PHE 61 CO -0.20 -0.04 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.68 1vee h LEU 62 N 0.10 -0.31 -0.70 0.59 3.38 -0.70 -1.76 115.31 115.91 1vee h LEU 62 Ca 0.14 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1vee h LEU 62 Cb 0.18 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1vee h LEU 62 CO -0.23 -0.11 0.42 0.50 0.09 0.00 0.00 178.44 179.11 1vee h LYS 63 N -0.02 0.76 -0.06 1.13 3.11 -0.30 0.73 116.57 121.93 1vee h LYS 63 Ca 0.14 -0.05 0.02 0.00 -2.81 0.00 0.00 60.65 57.95 1vee h LYS 63 Cb 0.24 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1vee h LYS 63 CO -0.31 0.50 0.09 0.87 -2.81 0.00 0.00 179.45 177.79 1vee h LYS 64 N 0.79 0.00 0.00 1.90 1.57 -0.34 0.88 116.57 121.37 1vee h LYS 64 Ca 0.30 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.79 1vee h LYS 64 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1vee h LYS 64 CO -0.15 0.00 -1.65 1.28 -0.57 0.00 0.00 179.45 178.35 1vee n LEU 65 N -3.62 1.89 0.26 2.94 4.77 -0.65 -3.83 117.00 118.77 1vee n LEU 65 Ca -0.01 0.40 0.18 0.00 -0.03 0.00 0.00 56.01 56.55 1vee n LEU 65 Cb 0.18 -0.91 0.92 0.00 -2.33 0.00 0.00 43.42 41.28 1vee n LEU 65 CO 0.25 0.34 1.15 -1.28 -1.33 0.00 0.00 177.39 176.52 1vee h SER 66 N -1.00 0.00 0.39 -1.43 0.87 -0.55 0.10 113.55 111.94 1vee h SER 66 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1vee h SER 66 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1vee h SER 66 CO -0.27 0.00 -0.41 0.00 -0.53 0.00 0.00 176.83 175.62 1vee n LEU 67 N -3.46 0.71 -0.09 2.23 -0.00 0.27 -4.14 117.00 112.51 1vee n LEU 67 Ca -0.00 -0.11 -0.13 0.00 -0.00 0.00 0.00 56.01 55.77 1vee n LEU 67 Cb 0.27 -0.20 -0.10 0.00 -0.00 0.00 0.00 43.42 43.40 1vee n LEU 67 CO 0.23 0.15 -1.12 2.29 -0.00 0.00 0.00 177.39 178.94 1vee n LYS 68 N -1.17 0.65 -2.10 1.47 -0.00 0.20 -5.01 118.16 112.20 1vee n LYS 68 Ca 0.08 0.09 -0.28 0.00 -0.00 0.00 0.00 58.31 58.20 1vee n LYS 68 Cb 0.34 -1.39 0.16 0.00 -0.00 0.00 0.00 35.03 34.14 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 -2.39 1.68 0.00 5.58 0.08 -0.27 -5.06 117.98 117.60 1vee s PHE 69 Ca -0.23 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1vee s PHE 69 Cb 0.06 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 1vee s PHE 69 CO 0.48 -2.36 0.00 0.36 -0.10 0.00 0.00 175.22 173.61 1vee n LYS 70 N -3.50 1.94 -3.34 0.44 0.00 -1.26 -4.88 118.16 107.55 1vee n LYS 70 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.24 1vee n LYS 70 Cb 0.60 -0.90 -0.09 0.00 -0.00 0.00 0.00 35.03 34.64 1vee n LYS 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1vee s ASP 71 N -3.06 1.49 0.46 -5.58 1.01 -1.26 -5.01 116.67 104.72 1vee s ASP 71 Ca 0.00 -2.20 0.18 0.00 0.71 0.00 0.00 52.55 51.25 1vee s ASP 71 Cb 0.00 0.13 1.16 0.00 1.01 0.00 0.00 42.92 45.22 1vee s ASP 71 CO 0.00 -0.23 1.97 1.55 0.21 0.00 0.00 175.17 178.67 1vee h PRO 72 N 6.45 0.26 0.00 8.23 0.13 -1.92 -2.26 132.00 142.89 1vee h PRO 72 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1vee h PRO 72 Cb 0.99 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1vee h PRO 72 CO 0.25 0.17 0.01 -0.85 -0.23 0.00 0.00 178.00 177.35 1vee n GLU 73 N -4.45 0.00 0.00 0.86 0.28 -1.20 -0.90 120.64 115.24 1vee n GLU 73 Ca 0.11 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1vee n GLU 73 Cb 0.49 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1vee n GLU 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1vee n ASN 74 N -1.39 0.27 -4.70 -1.84 0.23 -0.85 -4.08 115.26 102.91 1vee n ASN 74 Ca 0.00 -0.61 -0.35 0.00 -0.53 0.00 0.00 54.58 53.09 1vee n ASN 74 Cb 0.01 0.56 -0.09 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.56 5.20 -0.18 5.53 2.01 -0.75 -4.72 115.64 122.16 1vee s THR 75 Ca 0.00 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1vee s THR 75 Cb 0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1vee s THR 75 CO 0.00 0.45 0.19 -0.89 -0.69 0.00 0.00 174.62 173.68 1vee s THR 76 N 0.35 5.37 -0.45 -0.82 2.01 -0.75 -2.88 115.64 118.47 1vee s THR 76 Ca 0.06 0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.28 1vee s THR 76 Cb -0.11 -3.53 0.09 0.00 0.01 0.00 0.00 72.50 68.96 1vee s THR 76 CO -0.01 0.43 0.32 -0.76 -0.69 0.00 0.00 174.62 173.91 1vee s LEU 77 N 0.34 5.45 -0.63 4.42 2.01 -0.81 -0.95 118.68 128.51 1vee s LEU 77 Ca 0.11 -1.62 -0.24 0.00 0.01 0.00 0.00 54.13 52.39 1vee s LEU 77 Cb -0.12 -2.04 0.05 0.00 0.01 0.00 0.00 46.19 44.10 1vee s LEU 77 CO 0.00 -0.62 1.01 -0.31 1.01 0.00 0.00 176.35 177.45 1vee s TYR 78 N 1.45 2.65 0.25 0.29 1.51 -0.64 -1.93 117.35 120.92 1vee s TYR 78 Ca 0.04 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 1vee s TYR 78 Cb -0.25 -4.27 -0.09 0.00 -0.11 0.00 0.00 41.96 37.24 1vee s TYR 78 CO 0.02 -1.61 1.00 0.42 -1.11 0.00 0.00 175.55 174.27 1vee s ILE 79 N 4.31 3.89 -0.05 2.71 1.09 -0.27 -0.53 121.20 132.36 1vee s ILE 79 Ca 0.28 1.89 -0.01 0.00 -1.10 0.00 0.00 60.65 61.71 1vee s ILE 79 Cb -0.14 -4.20 0.03 0.00 -1.06 0.00 0.00 42.46 37.09 1vee s ILE 79 CO 0.15 0.44 0.00 -0.22 -0.10 0.00 0.00 174.94 175.21 1vee s LEU 80 N -1.19 0.77 0.31 2.97 0.20 -0.31 -2.86 118.68 118.57 1vee s LEU 80 Ca 0.43 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 55.22 1vee s LEU 80 Cb -0.28 -0.35 -0.06 0.00 -0.43 0.00 0.00 46.19 45.07 1vee s LEU 80 CO 0.35 -0.16 0.08 -0.62 -0.29 0.00 0.00 176.35 175.71 1vee s ASP 81 N 1.62 1.97 0.64 3.68 2.15 -1.26 -1.27 116.67 124.21 1vee s ASP 81 Ca -0.01 -1.40 0.30 0.00 0.43 0.00 0.00 52.55 51.87 1vee s ASP 81 Cb -0.13 0.05 1.65 0.00 -0.30 0.00 0.00 42.92 44.19 1vee s ASP 81 CO -0.03 -0.68 1.96 0.07 -0.17 0.00 0.00 175.17 176.32 1vee h LYS 82 N 2.19 0.00 0.00 4.34 5.09 -1.97 -3.28 116.57 122.94 1vee h LYS 82 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 1vee h LYS 82 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 1vee h LYS 82 CO 0.65 0.00 0.00 1.19 -2.09 0.00 0.00 179.45 179.20 1vee n PHE 83 N -3.15 -0.25 -0.04 0.07 3.72 -1.26 -4.11 117.46 112.43 1vee n PHE 83 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 1vee n PHE 83 Cb 0.41 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.00 -1.07 0.00 4.37 5.19 -1.85 -3.38 116.42 119.68 1vee h ASP 84 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1vee h ASP 84 Cb 0.00 0.47 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1vee h ASP 84 CO 0.00 -0.35 0.00 0.61 -3.12 0.00 0.00 179.24 176.38 1vee n GLY 85 N -1.41 0.37 0.13 2.75 0.00 -1.26 -1.53 105.19 104.23 1vee n GLY 85 Ca -0.02 0.65 0.01 0.00 0.00 0.00 0.00 46.02 46.66 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 5.10 0.43 -0.17 1.61 3.02 -1.26 -4.88 115.26 119.12 1vee n ASN 86 Ca 0.00 -1.52 0.24 0.00 -0.03 0.00 0.00 54.58 53.27 1vee n ASN 86 Cb 0.00 -0.08 0.65 0.00 -0.61 0.00 0.00 39.78 39.74 1vee n ASN 86 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vee h SER 87 N 0.00 0.13 0.15 6.41 0.02 -1.60 0.10 113.55 118.76 1vee h SER 87 Ca 0.00 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.79 1vee h SER 87 Cb 1.03 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1vee h SER 87 CO 0.00 0.05 -0.63 -0.33 -1.14 0.00 0.00 176.83 174.78 1vee h GLU 88 N 0.13 0.47 0.08 3.45 3.07 -1.90 -1.80 114.58 118.08 1vee h GLU 88 Ca 0.41 -0.33 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 1vee h GLU 88 Cb 1.41 0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.38 1vee h GLU 88 CO -0.06 0.95 -0.65 1.25 -1.40 0.00 0.00 179.01 179.10 1vee h LEU 89 N 0.34 0.27 -1.90 1.33 7.12 -1.51 -3.22 115.31 117.73 1vee h LEU 89 Ca -0.01 -0.93 -0.00 0.00 0.13 0.00 0.00 57.88 57.07 1vee h LEU 89 Cb 1.18 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1vee h LEU 89 CO 0.11 1.30 0.05 0.58 -0.13 0.00 0.00 178.44 180.35 1vee h VAL 90 N -0.62 1.03 -0.55 1.05 2.07 -0.93 0.82 116.25 119.12 1vee h VAL 90 Ca -0.13 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1vee h VAL 90 Cb 1.42 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1vee h VAL 90 CO 0.06 0.03 0.11 0.00 0.02 0.00 0.00 177.57 177.79 1vee h ALA 91 N 1.94 0.73 -0.20 1.67 0.00 -1.40 -2.62 119.26 119.39 1vee h ALA 91 Ca 0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1vee h ALA 91 Cb -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1vee h ALA 91 CO -0.01 0.46 -0.43 0.93 0.00 0.00 0.00 179.25 180.20 1vee h GLU 92 N 0.80 0.64 0.04 0.00 5.08 -1.21 -2.97 114.58 116.96 1vee h GLU 92 Ca 0.17 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1vee h GLU 92 Cb 0.39 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1vee h GLU 92 CO 0.01 1.04 -0.42 1.25 -1.00 0.00 0.00 179.01 179.89 1vee h LEU 93 N 0.33 -1.29 -1.05 1.33 5.85 -0.77 0.11 115.31 119.82 1vee h LEU 93 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1vee h LEU 93 Cb 1.04 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1vee h LEU 93 CO 0.10 -0.43 0.43 -0.37 -0.34 0.00 0.00 178.44 177.83 1vee h VAL 94 N -0.56 1.23 0.21 1.05 -1.51 -1.59 -2.07 116.25 113.01 1vee h VAL 94 Ca 0.00 -0.58 -0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1vee h VAL 94 Cb 0.58 0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1vee h VAL 94 CO -0.26 0.26 -0.15 0.00 -1.23 0.00 0.00 177.57 176.19 1vee h ALA 95 N 1.37 -0.34 0.00 5.19 0.00 -1.24 -0.85 119.26 123.38 1vee h ALA 95 Ca 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1vee h ALA 95 Cb 0.03 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1vee h ALA 95 CO -0.05 -0.70 -0.11 -0.07 0.00 0.00 0.00 179.25 178.32 1vee h LEU 96 N -0.36 0.00 -0.40 0.00 -0.00 -0.64 -1.88 115.31 112.04 1vee h LEU 96 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1vee h LEU 96 Cb 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1vee h LEU 96 CO 0.01 0.11 -0.15 0.78 -0.00 0.00 0.00 178.44 179.18 1vee h ASN 97 N 0.00 0.00 0.00 -0.43 2.35 -0.63 -3.47 115.58 113.40 1vee h ASN 97 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vee h ASN 97 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1vee h ASN 97 CO 0.01 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 1vee n GLY 98 N 0.82 0.46 3.77 2.83 0.00 -0.71 -5.09 105.19 107.28 1vee n GLY 98 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.34 2.67 0.05 1.61 0.40 -0.40 -3.23 117.98 117.74 1vee s PHE 99 Ca 0.00 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.73 1vee s PHE 99 Cb 0.00 -3.23 -0.06 0.00 0.51 0.00 0.00 43.02 40.25 1vee s PHE 99 CO 0.00 -1.59 1.23 -0.22 0.70 0.00 0.00 175.22 175.34 1vee h LYS 100 N 0.73 -0.25 -3.37 0.44 1.63 -0.88 -3.41 116.57 111.46 1vee h LYS 100 Ca -0.49 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.27 1vee h LYS 100 Cb 1.25 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.89 1vee h LYS 100 CO 0.56 -0.17 0.08 -1.12 -3.45 0.00 0.00 179.45 175.35 1vee s SER 101 N -3.50 0.11 -0.12 4.20 0.01 -1.25 -5.00 113.70 108.14 1vee s SER 101 Ca -0.07 -1.04 -0.27 0.00 1.31 0.00 0.00 55.95 55.88 1vee s SER 101 Cb 0.03 0.73 0.06 0.00 0.21 0.00 0.00 66.02 67.05 1vee s SER 101 CO 0.26 -1.41 0.64 0.00 0.41 0.00 0.00 173.24 173.13 1vee s ALA 102 N -3.21 -1.63 -0.04 1.44 0.00 -1.26 -1.92 121.76 115.14 1vee s ALA 102 Ca 0.19 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1vee s ALA 102 Cb -0.03 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1vee s ALA 102 CO 0.12 -0.34 -0.03 0.71 0.00 0.00 0.00 175.76 176.22 1vee s TYR 103 N -0.66 0.62 -0.29 0.00 1.51 -0.82 -4.31 117.35 113.41 1vee s TYR 103 Ca -0.07 -0.14 -0.19 0.00 -1.01 0.00 0.00 57.07 55.65 1vee s TYR 103 Cb -0.02 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.21 1vee s TYR 103 CO 0.06 -0.18 0.56 0.00 -1.11 0.00 0.00 175.55 174.87 1vee s ALA 104 N 1.03 3.56 -0.30 3.71 0.00 -0.08 -1.11 121.76 128.56 1vee s ALA 104 Ca -0.09 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1vee s ALA 104 Cb -0.14 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1vee s ALA 104 CO -0.01 -0.92 1.21 0.42 0.00 0.00 0.00 175.76 176.47 1vee s ILE 105 N 2.43 4.28 0.56 0.00 1.09 -1.14 -3.27 121.20 125.16 1vee s ILE 105 Ca 0.22 1.46 -0.19 0.00 -1.10 0.00 0.00 60.65 61.04 1vee s ILE 105 Cb -0.15 -4.25 -0.05 0.00 -1.06 0.00 0.00 42.46 36.95 1vee s ILE 105 CO 0.11 -0.47 1.16 -0.75 -0.10 0.00 0.00 174.94 174.88 1vee s LYS 106 N 3.95 3.22 -0.20 2.79 2.47 -1.25 -3.12 119.74 127.59 1vee s LYS 106 Ca 0.52 1.68 0.00 0.00 -1.56 0.00 0.00 55.97 56.61 1vee s LYS 106 Cb -0.15 -1.98 0.00 0.00 -1.46 0.00 0.00 37.83 34.24 1vee s LYS 106 CO 0.20 -0.97 0.00 -0.25 0.16 0.00 0.00 175.35 174.49 1vee n ASP 107 N -1.42 -4.64 0.00 1.43 8.00 -1.26 -4.33 116.55 114.33 1vee n ASP 107 Ca 0.12 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1vee n ASP 107 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.30 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 -0.88 1.77 0.07 0.44 0.00 -1.18 -1.04 105.19 104.35 1vee n GLY 108 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 5.99 1.95 0.91 4.61 0.00 -1.24 -1.44 120.51 131.30 1vee n ALA 109 Ca 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 53.44 52.54 1vee n ALA 109 Cb 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.54 0.09 -0.51 0.00 -0.58 -1.25 -2.06 120.64 113.80 1vee n GLU 110 Ca -0.22 -0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.22 1vee n GLU 110 Cb 0.92 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 30.56 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1vee s GLY 111 N -3.12 1.53 0.55 0.62 0.00 -0.21 -4.79 107.32 101.91 1vee s GLY 111 Ca 0.07 -0.20 0.32 0.00 0.00 0.00 0.00 44.72 44.91 1vee s GLY 111 CO 0.87 0.56 1.86 -0.56 0.00 0.00 0.00 173.10 175.83 1vee h PRO 112 N -2.76 0.00 0.00 2.90 0.13 -1.95 -1.15 132.00 129.17 1vee h PRO 112 Ca -0.62 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.42 1vee h PRO 112 Cb 1.34 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.28 1vee h PRO 112 CO 0.50 0.00 -0.73 2.89 -0.23 0.00 0.00 178.00 180.43 1vee n ARG 113 N -4.15 0.27 -0.23 0.86 0.00 -1.26 -4.79 116.66 107.36 1vee n ARG 113 Ca 0.19 -1.86 -0.11 0.00 -0.00 0.00 0.00 57.85 56.06 1vee n ARG 113 Cb 0.99 -0.46 0.10 0.00 -0.00 0.00 0.00 32.46 33.09 1vee n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vee n GLY 114 N 0.01 -3.18 0.40 2.89 0.00 -0.43 -4.37 105.19 100.50 1vee n GLY 114 Ca 0.06 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 1vee n GLY 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1vee h TRP 115 N -2.27 -1.37 0.17 1.61 2.91 -1.17 -0.78 115.95 115.04 1vee h TRP 115 Ca -0.15 0.10 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1vee h TRP 115 Cb 0.47 0.72 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 1vee h TRP 115 CO 0.00 -0.40 -0.16 -0.07 -1.03 0.00 0.00 178.44 176.78 1vee h LEU 116 N -0.07 -0.41 -1.26 0.65 3.38 -1.70 -2.37 115.31 113.52 1vee h LEU 116 Ca 0.24 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1vee h LEU 116 Cb 0.54 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1vee h LEU 116 CO -0.88 -0.24 0.00 0.59 0.09 0.00 0.00 178.44 178.00 1vee n ASN 117 N -5.28 1.42 -0.00 -0.43 3.02 -0.64 -3.12 115.26 110.23 1vee n ASN 117 Ca -0.08 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1vee n ASN 117 Cb 0.20 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.17 2.00 -1.32 6.41 7.64 -0.39 -4.45 113.62 123.68 1vee n SER 118 Ca 0.00 -2.02 -0.14 0.00 1.01 0.00 0.00 58.87 57.72 1vee n SER 118 Cb 0.29 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 119 N -0.52 -4.46 -4.87 6.43 2.88 -1.18 -4.85 113.62 107.04 1vee n SER 119 Ca 0.00 0.17 -0.37 0.00 -1.33 0.00 0.00 58.87 57.34 1vee n SER 119 Cb 0.26 -3.41 -0.06 0.00 -0.75 0.00 0.00 64.21 60.26 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 -3.56 4.41 0.37 2.46 1.43 -1.21 -5.07 118.68 117.51 1vee s LEU 120 Ca 0.00 0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 53.43 1vee s LEU 120 Cb 0.00 -2.30 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 1vee s LEU 120 CO 0.00 0.36 1.44 -2.65 0.23 0.00 0.00 176.35 175.74 1vee n PRO 121 N 1.80 2.55 -3.75 1.29 -0.02 -1.26 -4.73 135.00 130.89 1vee n PRO 121 Ca -0.17 0.89 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1vee n PRO 121 Cb 0.54 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.12 -0.38 -0.78 6.00 -0.11 -1.26 -3.11 118.94 118.19 1vee s TRP 122 Ca 0.54 0.88 -0.23 0.00 1.22 0.00 0.00 56.10 58.51 1vee s TRP 122 Cb -0.50 0.12 0.07 0.00 -1.50 0.00 0.00 33.47 31.66 1vee s TRP 122 CO 0.63 -0.21 1.14 0.42 -4.62 0.00 0.00 176.95 174.32 1vee s ILE 123 N 0.68 4.17 0.49 5.86 1.01 0.15 -4.86 121.20 128.70 1vee s ILE 123 Ca -0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1vee s ILE 123 Cb -0.05 -4.82 -0.06 0.00 0.01 0.00 0.00 42.46 37.54 1vee s ILE 123 CO -0.04 -1.64 0.90 -1.61 0.00 0.00 0.00 174.94 172.55 1vee s GLU 124 N 4.41 3.80 0.72 2.79 2.02 -1.26 -0.86 118.70 130.32 1vee s GLU 124 Ca 0.31 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 55.87 1vee s GLU 124 Cb -0.10 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.92 1vee s GLU 124 CO 0.05 -0.23 1.10 -1.25 0.02 0.00 0.00 175.26 174.95 1vee s PRO 125 N -4.23 2.76 -0.09 0.39 0.04 -1.26 -4.92 135.00 127.68 1vee s PRO 125 Ca 0.55 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1vee s PRO 125 Cb -0.10 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1vee s PRO 125 CO 0.36 -1.09 1.44 0.15 0.04 0.00 0.00 177.00 177.90 1vee s LYS 126 N -5.38 4.22 0.00 4.56 -0.14 -1.26 -4.88 119.74 116.86 1vee s LYS 126 Ca 0.59 1.93 0.12 0.00 -1.36 0.00 0.00 55.97 57.24 1vee s LYS 126 Cb -0.11 -3.82 0.65 0.00 -1.68 0.00 0.00 37.83 32.87 1vee s LYS 126 CO 0.51 -0.74 1.20 1.17 -0.76 0.00 0.00 175.35 176.74 1vee n LYS 127 N 6.59 0.27 0.10 1.68 3.00 -1.26 -4.09 118.16 124.45 1vee n LYS 127 Ca 0.15 0.08 -0.04 0.00 -0.00 0.00 0.00 58.31 58.51 1vee n LYS 127 Cb 0.44 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.95 1vee n LYS 127 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1vee h THR 128 N 0.00 0.00 0.00 3.15 1.35 -2.03 -3.33 112.91 112.05 1vee h THR 128 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1vee h THR 128 Cb 0.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1vee h THR 128 CO 0.00 0.00 0.00 -1.28 -0.25 0.00 0.00 175.52 173.99 1vee h SER 129 N -0.34 0.00 -3.07 5.36 0.87 -2.01 -3.41 113.55 110.94 1vee h SER 129 Ca -0.03 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.96 1vee h SER 129 Cb 0.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1vee h SER 129 CO 0.04 0.00 0.84 -0.83 -0.53 0.00 0.00 176.83 176.36 1vee s GLY 130 N -3.80 1.65 0.77 5.77 0.00 -1.25 -5.03 107.32 105.44 1vee s GLY 130 Ca -0.03 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.80 1vee s GLY 130 CO 0.29 2.30 1.09 2.56 0.00 0.00 0.00 173.10 179.34 1vee s PRO 131 N 3.39 2.26 0.25 2.90 0.04 -1.26 -4.97 135.00 137.60 1vee s PRO 131 Ca 0.48 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 1vee s PRO 131 Cb -0.16 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1vee s PRO 131 CO 0.10 -1.64 1.42 -1.12 0.04 0.00 0.00 177.00 175.81 1vee s SER 132 N -3.41 6.68 0.30 6.66 0.01 -1.26 -5.00 113.70 117.68 1vee s SER 132 Ca 0.61 2.64 -0.18 0.00 1.31 0.00 0.00 55.95 60.33 1vee s SER 132 Cb -0.17 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.46 1vee s SER 132 CO 0.56 -0.68 0.68 -0.44 0.41 0.00 0.00 173.24 173.77 1vee s SER 133 N 0.34 -0.13 0.00 2.44 0.01 -1.26 -5.31 113.70 109.79 1vee s SER 133 Ca 0.59 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1vee s SER 133 Cb -0.41 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1vee s SER 133 CO 0.43 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 173.31