#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loy h ASP 3 N 5.34 0.00 -3.54 0.00 3.32 -1.38 -3.44 116.42 116.72 1loy h ASP 3 Ca -0.47 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 1loy h ASP 3 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 1loy h ASP 3 CO 0.67 0.97 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.12 1loy s TYR 4 N -2.74 0.04 -0.21 4.55 2.02 -0.45 -4.95 117.35 115.60 1loy s TYR 4 Ca 0.01 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1loy s TYR 4 Cb 0.10 -0.22 0.03 0.00 -0.40 0.00 0.00 41.96 41.47 1loy s TYR 4 CO 0.82 -0.08 -0.17 0.99 -1.57 0.00 0.00 175.55 175.54 1loy s THR 5 N 0.97 2.07 -0.45 -0.71 2.01 -1.26 -0.92 115.64 117.35 1loy s THR 5 Ca -0.08 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.77 1loy s THR 5 Cb -0.12 -1.98 0.12 0.00 0.01 0.00 0.00 72.50 70.53 1loy s THR 5 CO -0.03 0.34 0.20 0.00 -0.69 0.00 0.00 174.62 174.45 1loy n GLY 7 N 3.97 3.33 0.68 0.00 0.00 -1.26 -1.03 105.19 110.88 1loy n GLY 7 Ca 0.03 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1loy n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1loy n SER 8 N 8.31 2.25 -4.73 1.61 3.41 -1.26 -4.92 113.62 118.28 1loy n SER 8 Ca 0.00 -1.67 -0.40 0.00 -0.26 0.00 0.00 58.87 56.54 1loy n SER 8 Cb 0.00 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1loy n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1loy s ASN 9 N -2.16 7.09 -0.19 4.04 0.01 -0.20 -5.05 114.94 118.49 1loy s ASN 9 Ca 0.28 1.31 -0.04 0.00 -0.71 0.00 0.00 52.86 53.69 1loy s ASN 9 Cb 0.20 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1loy s ASN 9 CO 0.39 -0.05 -0.02 0.00 -1.51 0.00 0.00 177.10 175.91 1loy s TYR 11 N 0.82 1.53 0.36 0.00 2.02 -0.10 -5.02 117.35 116.97 1loy s TYR 11 Ca -0.00 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1loy s TYR 11 Cb -0.14 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1loy s TYR 11 CO 0.02 0.00 0.47 -1.54 -1.57 0.00 0.00 175.55 172.93 1loy s SER 12 N -0.62 5.81 0.41 2.29 1.04 -1.26 -0.92 113.70 120.44 1loy s SER 12 Ca 0.06 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.29 1loy s SER 12 Cb -0.07 -1.06 0.88 0.00 0.10 0.00 0.00 66.02 65.87 1loy s SER 12 CO 0.00 -0.51 2.02 0.28 0.98 0.00 0.00 173.24 176.02 1loy h SER 13 N 0.87 0.49 -0.35 7.02 0.02 -1.98 -1.32 113.55 118.30 1loy h SER 13 Ca -0.44 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 1loy h SER 13 Cb 1.26 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1loy h SER 13 CO 0.52 0.33 0.00 0.77 -1.14 0.00 0.00 176.83 177.31 1loy h SER 14 N 0.56 0.69 -0.55 3.07 4.64 -1.99 -0.56 113.55 119.40 1loy h SER 14 Ca 0.21 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1loy h SER 14 Cb 0.14 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1loy h SER 14 CO -0.06 0.76 0.21 0.44 -0.87 0.00 0.00 176.83 177.32 1loy h ASP 15 N 0.68 0.77 -0.39 4.97 3.32 -1.63 -2.09 116.42 122.05 1loy h ASP 15 Ca 0.14 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1loy h ASP 15 Cb 0.42 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1loy h ASP 15 CO 0.02 0.74 -0.03 0.58 -1.72 0.00 0.00 179.24 178.82 1loy h VAL 16 N 0.76 1.27 -0.84 -1.35 2.07 -1.11 -2.31 116.25 114.73 1loy h VAL 16 Ca 0.18 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1loy h VAL 16 Cb 0.21 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1loy h VAL 16 CO -0.01 0.36 0.43 0.28 0.02 0.00 0.00 177.57 178.64 1loy h SER 17 N 0.54 1.09 -0.29 0.57 0.02 -0.99 0.57 113.55 115.06 1loy h SER 17 Ca 0.11 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1loy h SER 17 Cb 0.52 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1loy h SER 17 CO 0.03 0.90 0.07 0.74 -1.14 0.00 0.00 176.83 177.42 1loy h THR 18 N 1.19 1.22 -0.41 -2.27 2.02 -1.31 -1.11 112.91 112.24 1loy h THR 18 Ca 0.29 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1loy h THR 18 Cb 0.09 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1loy h THR 18 CO -0.04 0.24 0.09 0.00 0.37 0.00 0.00 175.52 176.18 1loy h ALA 19 N 0.89 0.54 -0.91 6.16 0.00 -1.17 -2.78 119.26 122.00 1loy h ALA 19 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1loy h ALA 19 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1loy h ALA 19 CO 0.00 0.23 0.50 0.37 0.00 0.00 0.00 179.25 180.35 1loy h GLN 20 N 0.52 1.26 -0.82 0.00 4.15 -0.79 -1.84 115.11 117.58 1loy h GLN 20 Ca 0.13 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1loy h GLN 20 Cb 0.34 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 1loy h GLN 20 CO 0.00 0.92 0.38 0.00 -1.93 0.00 0.00 178.83 178.21 1loy h ALA 21 N 1.27 1.06 -0.15 3.38 0.00 -1.09 -0.18 119.26 123.56 1loy h ALA 21 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1loy h ALA 21 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1loy h ALA 21 CO -0.05 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.84 1loy h ALA 22 N 1.21 0.21 -0.74 0.00 0.00 -1.20 -2.11 119.26 116.62 1loy h ALA 22 Ca 0.28 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1loy h ALA 22 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1loy h ALA 22 CO -0.03 -0.09 0.26 0.78 0.00 0.00 0.00 179.25 180.17 1loy h GLY 23 N 0.01 1.21 1.25 0.00 0.00 -1.16 -2.70 103.07 101.68 1loy h GLY 23 Ca 0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1loy h GLY 23 CO 0.01 0.64 -0.18 -1.82 0.00 0.00 0.00 176.54 175.19 1loy h TYR 24 N 1.09 0.97 -0.25 5.60 3.20 -1.00 -1.92 116.97 124.66 1loy h TYR 24 Ca 0.24 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1loy h TYR 24 Cb 0.26 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1loy h TYR 24 CO 0.02 0.97 0.10 -0.22 -1.64 0.00 0.00 178.16 177.39 1loy h LYS 25 N 0.76 0.22 -0.57 1.82 1.63 -1.11 -0.98 116.57 118.34 1loy h LYS 25 Ca 0.11 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1loy h LYS 25 Cb 0.71 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1loy h LYS 25 CO 0.05 0.14 0.19 -0.07 -3.45 0.00 0.00 179.45 176.32 1loy h LEU 26 N 0.22 0.78 -0.60 5.20 3.38 -1.37 -2.42 115.31 120.50 1loy h LEU 26 Ca 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1loy h LEU 26 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1loy h LEU 26 CO -0.10 0.72 0.36 -0.74 0.09 0.00 0.00 178.44 178.77 1loy h HIS 27 N 0.83 0.80 0.00 1.13 2.76 -0.62 -0.86 115.15 119.18 1loy h HIS 27 Ca 0.19 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1loy h HIS 27 Cb 0.22 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1loy h HIS 27 CO 0.01 0.55 -0.18 0.93 -1.30 0.00 0.00 177.93 177.94 1loy h GLU 28 N 0.81 0.00 -0.02 5.26 4.39 -0.86 -2.63 114.58 121.54 1loy h GLU 28 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1loy h GLU 28 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1loy h GLU 28 CO -0.04 0.18 -0.10 -0.25 -1.16 0.00 0.00 179.01 177.64 1loy n ASP 29 N -3.46 2.11 -1.47 1.42 8.00 -0.87 -4.95 116.55 117.33 1loy n ASP 29 Ca -0.01 -1.63 -0.16 0.00 0.71 0.00 0.00 54.79 53.71 1loy n ASP 29 Cb 0.36 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1loy n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1loy n GLY 30 N 1.30 0.88 3.85 0.44 0.00 -0.40 -5.00 105.19 106.25 1loy n GLY 30 Ca 0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1loy n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1loy s GLU 31 N -3.92 3.15 0.09 1.61 0.41 -0.76 -5.04 118.70 114.24 1loy s GLU 31 Ca 0.00 -0.60 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 1loy s GLU 31 Cb 0.00 -2.86 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 1loy s GLU 31 CO 0.00 0.57 -0.09 0.95 -0.49 0.00 0.00 175.26 176.21 1loy s THR 32 N -1.50 0.80 0.04 3.63 -4.23 -1.26 -4.46 115.64 108.65 1loy s THR 32 Ca 0.32 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1loy s THR 32 Cb -0.12 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 1loy s THR 32 CO 0.25 -0.64 -0.06 0.68 -0.54 0.00 0.00 174.62 174.32 1loy s VAL 33 N -2.67 0.35 0.00 2.29 -7.23 -0.13 -4.90 120.40 108.10 1loy s VAL 33 Ca 0.05 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1loy s VAL 33 Cb -0.01 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1loy s VAL 33 CO -0.01 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1loy n GLY 34 N 1.40 -0.36 0.21 2.32 0.00 -1.26 -1.50 105.19 106.01 1loy n GLY 34 Ca -0.23 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.16 1loy n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1loy h SER 35 N 0.00 0.00 -0.46 1.61 0.02 -1.99 -2.36 113.55 110.36 1loy h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1loy h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1loy h SER 35 CO 0.00 0.26 0.00 0.59 -1.14 0.00 0.00 176.83 176.54 1loy n ASN 36 N -4.00 2.73 -3.60 3.07 3.02 -1.26 -4.97 115.26 110.25 1loy n ASN 36 Ca -0.02 -2.08 -0.24 0.00 -0.03 0.00 0.00 54.58 52.22 1loy n ASN 36 Cb 0.33 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1loy n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1loy n SER 37 N 0.83 -5.68 -4.84 6.41 7.64 -0.89 -4.77 113.62 112.32 1loy n SER 37 Ca 0.16 -0.82 -0.34 0.00 1.01 0.00 0.00 58.87 58.88 1loy n SER 37 Cb 0.46 -3.24 -0.06 0.00 -1.01 0.00 0.00 64.21 60.36 1loy n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1loy s TYR 38 N -3.24 3.53 0.20 1.43 2.02 -0.56 -3.58 117.35 117.15 1loy s TYR 38 Ca 0.25 1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 57.86 1loy s TYR 38 Cb -0.09 -2.51 -0.09 0.00 -0.40 0.00 0.00 41.96 38.87 1loy s TYR 38 CO 0.85 0.27 1.34 -1.25 -1.57 0.00 0.00 175.55 175.19 1loy s PRO 39 N -2.36 4.36 0.09 -1.71 0.04 -1.26 -0.96 135.00 133.20 1loy s PRO 39 Ca 0.46 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.65 1loy s PRO 39 Cb -0.14 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1loy s PRO 39 CO 0.20 -0.30 -0.09 0.00 0.04 0.00 0.00 177.00 176.85 1loy s ALA 40 N 0.20 3.00 0.27 8.56 0.00 -0.68 -4.89 121.76 128.22 1loy s ALA 40 Ca 0.58 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1loy s ALA 40 Cb -0.37 -0.96 -0.13 0.00 0.00 0.00 0.00 23.12 21.66 1loy s ALA 40 CO 0.38 0.65 1.46 1.17 0.00 0.00 0.00 175.76 179.41 1loy n LYS 41 N 0.80 2.29 -4.03 0.00 3.00 -1.26 -0.05 118.16 118.90 1loy n LYS 41 Ca -0.13 0.81 -0.33 0.00 -0.00 0.00 0.00 58.31 58.66 1loy n LYS 41 Cb 0.52 -2.50 -0.15 0.00 0.00 0.00 0.00 35.03 32.90 1loy n LYS 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1loy s TYR 42 N -0.19 3.21 -0.97 5.64 5.04 -0.13 -4.72 117.35 125.23 1loy s TYR 42 Ca 0.65 -2.11 0.28 0.00 -2.44 0.00 0.00 57.07 53.45 1loy s TYR 42 Cb -0.58 -1.98 1.11 0.00 0.35 0.00 0.00 41.96 40.86 1loy s TYR 42 CO 0.51 -0.85 1.86 0.09 -1.34 0.00 0.00 175.55 175.82 1loy n ASN 43 N 4.51 0.14 -3.39 4.32 3.02 -1.26 -4.13 115.26 118.47 1loy n ASN 43 Ca -0.15 0.43 -0.17 0.00 -0.03 0.00 0.00 54.58 54.67 1loy n ASN 43 Cb 0.43 -0.45 0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1loy n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1loy n ASN 44 N -1.58 -3.38 0.07 6.41 5.15 -1.26 -4.90 115.26 115.77 1loy n ASN 44 Ca 0.07 -0.65 0.02 0.00 -0.60 0.00 0.00 54.58 53.41 1loy n ASN 44 Cb 0.35 -5.12 0.38 0.00 -0.53 0.00 0.00 39.78 34.86 1loy n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1loy h TYR 45 N -1.66 0.36 0.00 1.20 0.05 -2.01 -1.78 116.97 113.13 1loy h TYR 45 Ca -0.60 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.15 1loy h TYR 45 Cb 1.33 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.96 1loy h TYR 45 CO 0.40 0.40 -0.04 0.93 -1.05 0.00 0.00 178.16 178.80 1loy h GLU 46 N 0.34 0.00 -2.46 4.88 3.07 -1.94 -3.46 114.58 115.01 1loy h GLU 46 Ca 0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 1loy h GLU 46 Cb 0.28 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.23 1loy h GLU 46 CO 0.01 0.04 -0.24 0.41 -1.40 0.00 0.00 179.01 177.83 1loy n GLY 47 N -1.02 0.36 3.75 -3.84 0.00 -0.67 -5.00 105.19 98.77 1loy n GLY 47 Ca -0.02 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1loy n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1loy s PHE 48 N -2.99 2.39 -1.29 1.61 0.08 -1.26 -4.92 117.98 111.60 1loy s PHE 48 Ca 0.18 1.49 -0.10 0.00 0.12 0.00 0.00 56.93 58.61 1loy s PHE 48 Cb -0.08 -3.55 0.15 0.00 -0.57 0.00 0.00 43.02 38.98 1loy s PHE 48 CO 0.22 -2.33 1.87 -3.47 -0.10 0.00 0.00 175.22 171.40 1loy n ASP 49 N -1.40 4.98 -4.75 1.36 2.03 -1.26 -4.99 116.55 112.52 1loy n ASP 49 Ca 0.13 -3.07 -0.40 0.00 0.52 0.00 0.00 54.79 51.96 1loy n ASP 49 Cb 0.48 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 39.33 1loy n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1loy s PHE 50 N 0.79 3.78 -0.40 -0.67 0.08 -1.26 -4.96 117.98 115.35 1loy s PHE 50 Ca 0.41 1.80 0.22 0.00 0.12 0.00 0.00 56.93 59.48 1loy s PHE 50 Cb 0.09 -3.13 0.29 0.00 -0.57 0.00 0.00 43.02 39.70 1loy s PHE 50 CO -0.00 -0.04 1.55 0.77 -0.10 0.00 0.00 175.22 177.39 1loy h SER 51 N 4.20 0.00 -2.54 1.36 0.02 -1.93 -3.46 113.55 111.21 1loy h SER 51 Ca -0.45 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.01 1loy h SER 51 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1loy h SER 51 CO 0.68 0.05 -0.33 0.68 -1.14 0.00 0.00 176.83 176.77 1loy s VAL 52 N -3.20 5.20 0.51 2.27 -7.23 -1.26 -5.09 120.40 111.60 1loy s VAL 52 Ca 0.06 -0.68 -0.17 0.00 -1.81 0.00 0.00 61.98 59.38 1loy s VAL 52 Cb 0.06 -3.83 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 1loy s VAL 52 CO 0.69 -0.37 0.99 -0.94 -0.31 0.00 0.00 175.10 175.15 1loy s SER 53 N -3.82 6.62 0.84 4.85 1.04 -1.26 -5.05 113.70 116.93 1loy s SER 53 Ca 0.37 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.26 1loy s SER 53 Cb -0.10 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.64 1loy s SER 53 CO 0.31 -0.59 1.19 -0.94 0.98 0.00 0.00 173.24 174.20 1loy s SER 54 N -3.06 4.00 0.69 7.02 1.04 -1.26 -4.72 113.70 117.41 1loy s SER 54 Ca 0.59 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 57.28 1loy s SER 54 Cb -0.10 -0.75 0.02 0.00 0.10 0.00 0.00 66.02 65.29 1loy s SER 54 CO 0.31 -2.17 1.18 -2.84 0.98 0.00 0.00 173.24 170.70 1loy s PRO 55 N -5.60 2.44 0.16 4.02 0.02 -1.26 -4.87 135.00 129.90 1loy s PRO 55 Ca 0.67 1.67 0.09 0.00 0.02 0.00 0.00 61.00 63.45 1loy s PRO 55 Cb -0.08 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1loy s PRO 55 CO 0.49 -1.59 -0.15 0.71 -0.33 0.00 0.00 177.00 176.13 1loy s TYR 56 N -2.02 2.54 -0.00 6.54 2.02 -1.26 -3.48 117.35 121.69 1loy s TYR 56 Ca 0.73 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 1loy s TYR 56 Cb -0.27 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 1loy s TYR 56 CO 0.42 0.46 -0.08 0.71 -1.57 0.00 0.00 175.55 175.49 1loy s TYR 57 N -1.47 0.71 -0.08 2.71 2.02 0.27 -0.95 117.35 120.57 1loy s TYR 57 Ca 0.21 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1loy s TYR 57 Cb -0.09 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1loy s TYR 57 CO 0.12 -0.01 0.03 0.00 -1.57 0.00 0.00 175.55 174.11 1loy s ALA 58 N -0.23 3.39 -0.02 3.71 0.00 0.92 -1.60 121.76 127.93 1loy s ALA 58 Ca 0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 1loy s ALA 58 Cb -0.03 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1loy s ALA 58 CO -0.00 0.60 0.03 -0.46 0.00 0.00 0.00 175.76 175.93 1loy s TRP 59 N -0.93 -0.00 0.33 0.00 -0.11 -0.56 -1.69 118.94 115.98 1loy s TRP 59 Ca 0.14 0.11 -0.29 0.00 1.22 0.00 0.00 56.10 57.28 1loy s TRP 59 Cb -0.11 -0.12 -0.10 0.00 -1.50 0.00 0.00 33.47 31.63 1loy s TRP 59 CO 0.03 -0.06 1.35 -2.14 -4.62 0.00 0.00 176.95 171.52 1loy s PRO 60 N 0.60 4.30 -0.13 5.86 0.02 -1.26 -0.47 135.00 143.92 1loy s PRO 60 Ca -0.05 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.28 1loy s PRO 60 Cb -0.07 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.39 1loy s PRO 60 CO -0.02 -0.28 -0.18 -1.50 -0.33 0.00 0.00 177.00 174.69 1loy s ILE 61 N -0.99 2.49 -0.14 2.83 2.07 -0.95 -4.54 121.20 121.96 1loy s ILE 61 Ca 0.51 -0.85 -0.07 0.00 -1.41 0.00 0.00 60.65 58.82 1loy s ILE 61 Cb -0.41 -2.01 -0.04 0.00 0.13 0.00 0.00 42.46 40.12 1loy s ILE 61 CO 0.54 0.54 0.12 -0.76 -1.91 0.00 0.00 174.94 173.46 1loy s LEU 62 N 0.53 4.24 0.00 8.50 1.43 -1.26 -4.45 118.68 127.66 1loy s LEU 62 Ca -0.12 0.36 0.13 0.00 -1.03 0.00 0.00 54.13 53.47 1loy s LEU 62 Cb -0.16 -2.04 0.61 0.00 0.03 0.00 0.00 46.19 44.62 1loy s LEU 62 CO 0.04 0.34 1.37 -1.54 0.23 0.00 0.00 176.35 176.79 1loy n SER 63 N 2.46 0.00 0.05 2.29 3.41 -1.26 -1.79 113.62 118.77 1loy n SER 63 Ca -0.19 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1loy n SER 63 Cb 0.54 -0.37 0.29 0.00 -0.26 0.00 0.00 64.21 64.41 1loy n SER 63 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1loy n SER 64 N -1.37 0.58 0.00 4.04 3.41 -1.26 -4.93 113.62 114.09 1loy n SER 64 Ca 0.05 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1loy n SER 64 Cb 0.12 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1loy n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1loy n GLY 65 N 1.39 2.90 3.82 5.00 0.00 -0.74 -5.04 105.19 112.52 1loy n GLY 65 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1loy n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1loy s ASP 66 N -1.30 5.64 0.07 1.61 1.01 -1.26 -4.98 116.67 117.46 1loy s ASP 66 Ca 0.00 1.65 -0.21 0.00 0.71 0.00 0.00 52.55 54.69 1loy s ASP 66 Cb 0.00 -2.50 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1loy s ASP 66 CO 0.00 -1.26 0.64 -0.69 0.21 0.00 0.00 175.17 174.07 1loy s VAL 67 N -2.88 4.71 0.23 -1.27 1.01 -1.26 -4.25 120.40 116.69 1loy s VAL 67 Ca 0.59 1.37 -0.32 0.00 0.00 0.00 0.00 61.98 63.62 1loy s VAL 67 Cb -0.14 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 1loy s VAL 67 CO 0.49 0.49 1.66 0.00 0.00 0.00 0.00 175.10 177.74 1loy n TYR 68 N 2.09 2.70 -1.39 5.22 9.36 -1.26 -4.88 117.16 129.00 1loy n TYR 68 Ca -0.08 0.14 0.01 0.00 3.32 0.00 0.00 57.90 61.29 1loy n TYR 68 Cb 0.50 -2.63 0.01 0.00 -0.63 0.00 0.00 39.34 36.60 1loy n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1loy n SER 69 N 3.36 0.40 0.00 2.98 3.41 -1.26 -5.05 113.62 117.46 1loy n SER 69 Ca 0.14 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 1loy n SER 69 Cb 0.34 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1loy n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1loy n GLY 70 N -0.19 1.70 5.62 5.00 0.00 -1.26 -4.80 105.19 111.26 1loy n GLY 70 Ca 0.02 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1loy n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1loy n GLY 71 N -1.13 -1.72 3.68 -0.02 0.00 -1.26 -4.83 105.19 99.91 1loy n GLY 71 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1loy n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1loy s SER 72 N -4.00 6.63 0.08 1.61 0.15 -1.26 -4.77 113.70 112.14 1loy s SER 72 Ca 0.00 2.41 0.27 0.00 0.70 0.00 0.00 55.95 59.33 1loy s SER 72 Cb 0.00 -2.55 1.04 0.00 -1.71 0.00 0.00 66.02 62.80 1loy s SER 72 CO 0.00 -0.89 1.83 -0.81 1.20 0.00 0.00 173.24 174.57 1loy n PRO 73 N 6.03 0.09 0.00 5.44 -0.04 -1.26 -5.03 135.00 140.22 1loy n PRO 73 Ca 0.16 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1loy n PRO 73 Cb 0.41 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1loy n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1loy n GLY 74 N 1.24 -1.06 0.00 0.55 0.00 -1.26 -4.40 105.19 100.26 1loy n GLY 74 Ca 0.06 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.97 1loy n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loy n ALA 75 N 1.21 4.39 -2.86 4.61 0.00 -1.26 -5.00 120.51 121.60 1loy n ALA 75 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1loy n ALA 75 Cb 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1loy n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1loy s ASP 76 N -2.85 6.10 0.01 0.00 1.01 -1.26 -1.42 116.67 118.26 1loy s ASP 76 Ca 0.06 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.59 1loy s ASP 76 Cb 0.14 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.20 1loy s ASP 76 CO 0.78 0.26 -0.02 -0.13 0.21 0.00 0.00 175.17 176.27 1loy s ARG 77 N -1.89 0.23 -0.10 8.23 1.81 0.39 -2.25 118.95 125.37 1loy s ARG 77 Ca 0.26 -0.43 -0.03 0.00 -1.72 0.00 0.00 55.73 53.80 1loy s ARG 77 Cb -0.12 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1loy s ARG 77 CO 0.17 -0.03 0.04 0.14 -0.68 0.00 0.00 175.30 174.94 1loy s VAL 78 N -1.02 4.65 -0.14 3.52 -7.23 0.38 -0.97 120.40 119.58 1loy s VAL 78 Ca -0.11 -0.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1loy s VAL 78 Cb -0.07 -2.98 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 1loy s VAL 78 CO -0.01 0.61 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.54 1loy s VAL 79 N -0.91 2.67 0.23 1.32 1.01 0.28 -1.49 120.40 123.50 1loy s VAL 79 Ca 0.14 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1loy s VAL 79 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1loy s VAL 79 CO 0.03 0.52 0.04 0.72 0.00 0.00 0.00 175.10 176.41 1loy s PHE 80 N 0.64 1.44 0.25 5.22 -0.12 -0.63 0.14 117.98 124.93 1loy s PHE 80 Ca -0.08 -1.07 0.02 0.00 -0.05 0.00 0.00 56.93 55.74 1loy s PHE 80 Cb -0.16 -0.84 0.02 0.00 -0.63 0.00 0.00 43.02 41.41 1loy s PHE 80 CO 0.03 -0.23 0.13 0.27 -0.05 0.00 0.00 175.22 175.37 1loy n ASN 81 N -0.39 2.04 0.27 1.98 0.23 -0.63 -0.56 115.26 118.21 1loy n ASN 81 Ca -0.03 -1.91 0.15 0.00 -0.53 0.00 0.00 54.58 52.26 1loy n ASN 81 Cb 0.65 0.03 0.88 0.00 -2.08 0.00 0.00 39.78 39.27 1loy n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1loy h GLU 82 N 0.00 0.00 -0.27 -3.83 4.39 -1.84 -0.79 114.58 112.25 1loy h GLU 82 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1loy h GLU 82 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1loy h GLU 82 CO 0.27 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.21 1loy n ASN 83 N -3.86 1.99 -2.13 1.42 3.02 -1.26 -4.90 115.26 109.53 1loy n ASN 83 Ca -0.02 -1.83 -0.15 0.00 -0.03 0.00 0.00 54.58 52.55 1loy n ASN 83 Cb 0.15 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1loy n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1loy n ASN 84 N 0.55 -4.57 -4.76 6.41 4.05 -0.30 -5.01 115.26 111.63 1loy n ASN 84 Ca 0.15 -0.22 -0.36 0.00 0.45 0.00 0.00 54.58 54.60 1loy n ASN 84 Cb 0.36 -3.37 -0.08 0.00 1.23 0.00 0.00 39.78 37.91 1loy n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1loy s GLN 85 N -5.42 3.55 0.02 1.20 -0.21 -1.26 -4.88 119.66 112.67 1loy s GLN 85 Ca 0.24 -0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 1loy s GLN 85 Cb -0.11 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.72 1loy s GLN 85 CO 0.30 0.58 1.33 -1.17 -2.12 0.00 0.00 175.29 174.21 1loy s LEU 86 N -0.49 4.33 -0.19 2.90 2.96 -1.26 -1.60 118.68 125.32 1loy s LEU 86 Ca 0.11 2.08 -0.05 0.00 -0.22 0.00 0.00 54.13 56.05 1loy s LEU 86 Cb -0.12 -3.57 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 1loy s LEU 86 CO 0.02 -0.64 0.07 0.00 -1.32 0.00 0.00 176.35 174.47 1loy n ALA 87 N 4.88 1.12 0.00 5.97 0.00 0.12 -4.81 120.51 127.79 1loy n ALA 87 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1loy n ALA 87 Cb 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1loy n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1loy n GLY 88 N 2.00 -1.95 3.07 0.00 0.00 -1.10 -4.69 105.19 102.52 1loy n GLY 88 Ca -0.39 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1loy n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1loy s VAL 89 N -2.03 1.61 0.28 1.61 1.01 -1.26 -0.55 120.40 121.06 1loy s VAL 89 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1loy s VAL 89 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1loy s VAL 89 CO 0.00 0.46 -0.01 0.27 0.00 0.00 0.00 175.10 175.83 1loy s ILE 90 N 1.07 1.34 0.00 2.22 -4.36 -0.15 -1.20 121.20 120.12 1loy s ILE 90 Ca -0.04 -2.06 -0.17 0.00 -0.26 0.00 0.00 60.65 58.12 1loy s ILE 90 Cb -0.15 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.07 1loy s ILE 90 CO -0.04 -0.22 0.38 0.28 0.24 0.00 0.00 174.94 175.58 1loy s THR 91 N -3.21 0.05 -0.51 8.37 -1.32 0.05 -0.46 115.64 118.61 1loy s THR 91 Ca 0.31 -0.44 0.24 0.00 -1.21 0.00 0.00 61.69 60.59 1loy s THR 91 Cb 0.06 -0.78 0.26 0.00 -1.51 0.00 0.00 72.50 70.53 1loy s THR 91 CO 0.12 -0.24 1.56 0.45 -2.21 0.00 0.00 174.62 174.30 1loy h HIS 92 N 3.49 0.00 -2.69 9.09 3.86 -1.46 -0.51 115.15 126.93 1loy h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 1loy h HIS 92 Cb 1.18 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.67 1loy h HIS 92 CO 0.47 0.00 1.00 0.99 0.86 0.00 0.00 177.93 181.25 1loy s THR 93 N -3.20 3.01 0.00 2.45 2.01 -1.26 -1.63 115.64 117.02 1loy s THR 93 Ca 0.07 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1loy s THR 93 Cb 0.08 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1loy s THR 93 CO 0.67 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 1loy n GLY 94 N 3.99 0.51 3.48 4.40 0.00 -1.26 -4.76 105.19 111.54 1loy n GLY 94 Ca 0.16 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1loy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loy s ALA 95 N -2.00 2.66 0.42 4.61 0.00 -0.64 -4.95 121.76 121.86 1loy s ALA 95 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 1loy s ALA 95 Cb 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 1loy s ALA 95 CO 0.00 0.58 1.06 0.45 0.00 0.00 0.00 175.76 177.85 1loy s SER 96 N -1.42 6.61 1.09 0.00 0.15 -1.26 -4.76 113.70 114.10 1loy s SER 96 Ca 0.15 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.86 1loy s SER 96 Cb -0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1loy s SER 96 CO 0.06 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1loy n GLY 97 N 0.27 3.18 1.56 9.45 0.00 -1.26 -0.96 105.19 117.43 1loy n GLY 97 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1loy n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1loy n ASN 98 N 3.65 5.10 -4.61 1.61 4.13 -1.26 -4.99 115.26 118.89 1loy n ASN 98 Ca 0.00 -2.91 -0.29 0.00 1.68 0.00 0.00 54.58 53.06 1loy n ASN 98 Cb 0.00 -0.63 0.13 0.00 -1.54 0.00 0.00 39.78 37.74 1loy n ASN 98 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1loy s ASN 99 N -1.14 3.76 0.20 6.41 0.01 -0.13 -5.05 114.94 119.00 1loy s ASN 99 Ca 0.50 0.66 0.09 0.00 -0.71 0.00 0.00 52.86 53.41 1loy s ASN 99 Cb 0.39 -1.03 -0.05 0.00 0.41 0.00 0.00 41.25 40.97 1loy s ASN 99 CO 0.15 -2.37 -0.18 -0.36 -1.51 0.00 0.00 177.10 172.83 1loy s PHE 100 N -3.58 1.92 0.09 2.20 0.08 -1.26 -4.46 117.98 112.96 1loy s PHE 100 Ca 0.66 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 57.27 1loy s PHE 100 Cb -0.10 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1loy s PHE 100 CO 0.51 0.43 -0.09 0.14 -0.10 0.00 0.00 175.22 176.12 1loy s VAL 101 N -2.43 0.81 0.40 -0.44 -7.23 -0.20 -4.94 120.40 106.36 1loy s VAL 101 Ca 0.21 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 1loy s VAL 101 Cb -0.04 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.52 1loy s VAL 101 CO 0.09 -0.59 0.98 -1.61 -0.31 0.00 0.00 175.10 173.66 1loy s GLU 102 N -2.78 4.25 0.22 4.82 2.02 -1.26 -0.77 118.70 125.20 1loy s GLU 102 Ca 0.04 1.30 -0.26 0.00 0.02 0.00 0.00 54.97 56.07 1loy s GLU 102 Cb -0.02 -2.43 -0.09 0.00 0.10 0.00 0.00 34.13 31.69 1loy s GLU 102 CO -0.01 -0.03 0.85 0.00 0.02 0.00 0.00 175.26 176.09