#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rck n ALA 3 N 0.00 -1.29 -3.32 7.33 0.00 -1.26 -4.57 120.51 117.40 1rck n ALA 3 Ca 0.00 0.50 -0.34 0.00 0.00 0.00 0.00 53.44 53.60 1rck n ALA 3 Cb 0.00 -2.04 -0.14 0.00 0.00 0.00 0.00 19.45 17.27 1rck n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rck s THR 4 N 1.17 3.44 -0.39 0.00 -4.23 -1.04 -4.70 115.64 109.88 1rck s THR 4 Ca 0.90 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1rck s THR 4 Cb -1.06 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 70.37 1rck s THR 4 CO 0.54 0.45 0.18 -0.89 -0.54 0.00 0.00 174.62 174.36 1rck s THR 5 N 1.09 1.30 -0.83 3.99 2.01 -1.26 -1.49 115.64 120.45 1rck s THR 5 Ca 0.01 -2.19 -0.11 0.00 0.31 0.00 0.00 61.69 59.72 1rck s THR 5 Cb -0.15 -1.94 0.22 0.00 0.01 0.00 0.00 72.50 70.65 1rck s THR 5 CO -0.00 -0.81 0.75 0.00 -0.69 0.00 0.00 174.62 173.87 1rck n GLY 7 N 3.62 1.89 0.00 0.00 0.00 -1.26 -2.08 105.19 107.36 1rck n GLY 7 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1rck n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 8 N 3.95 1.73 -4.58 1.61 3.41 -1.26 -5.02 113.62 113.46 1rck n SER 8 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1rck n SER 8 Cb 0.00 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rck s THR 9 N -1.36 3.39 -0.05 6.66 2.01 -0.88 -4.97 115.64 120.43 1rck s THR 9 Ca 0.00 0.35 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 1rck s THR 9 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1rck s THR 9 CO 0.00 -0.48 -0.02 0.21 -0.69 0.00 0.00 174.62 173.64 1rck s ASN 10 N 7.16 5.06 -0.03 3.53 3.84 -1.26 -1.33 114.94 131.90 1rck s ASN 10 Ca 0.79 0.05 -0.06 0.00 0.21 0.00 0.00 52.86 53.85 1rck s ASN 10 Cb -0.20 -1.35 0.01 0.00 -0.55 0.00 0.00 41.25 39.15 1rck s ASN 10 CO 0.30 0.34 0.15 -0.31 -2.79 0.00 0.00 177.10 174.79 1rck s TYR 11 N -0.94 -0.08 0.66 0.43 1.51 -0.56 -4.84 117.35 113.55 1rck s TYR 11 Ca 0.15 0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 56.24 1rck s TYR 11 Cb -0.11 0.01 0.00 0.00 -0.11 0.00 0.00 41.96 41.75 1rck s TYR 11 CO 0.05 -0.17 1.10 0.45 -1.11 0.00 0.00 175.55 175.87 1rck s SER 12 N -0.56 5.11 0.64 2.29 0.15 -1.26 -2.51 113.70 117.56 1rck s SER 12 Ca -0.06 1.97 0.37 0.00 0.70 0.00 0.00 55.95 58.93 1rck s SER 12 Cb -0.04 -2.55 2.10 0.00 -1.71 0.00 0.00 66.02 63.82 1rck s SER 12 CO 0.01 -1.63 2.26 0.00 1.20 0.00 0.00 173.24 175.08 1rck h ALA 13 N -0.04 1.27 -0.10 5.45 0.00 -1.91 0.91 119.26 124.83 1rck h ALA 13 Ca -0.46 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1rck h ALA 13 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rck h ALA 13 CO 0.54 -0.08 -0.72 0.77 0.00 0.00 0.00 179.25 179.76 1rck h SER 14 N 0.00 0.56 0.23 0.00 0.02 -1.92 -2.83 113.55 109.61 1rck h SER 14 Ca 0.01 -0.36 -0.19 0.00 -0.84 0.00 0.00 61.79 60.41 1rck h SER 14 Cb 0.15 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1rck h SER 14 CO -0.00 1.10 -0.76 -0.61 -1.14 0.00 0.00 176.83 175.43 1rck h GLN 15 N 0.33 0.44 -0.13 3.45 5.75 -1.17 -1.28 115.11 122.50 1rck h GLN 15 Ca -0.03 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.06 1rck h GLN 15 Cb 1.29 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.92 1rck h GLN 15 CO 0.13 1.01 -0.09 0.28 -2.65 0.00 0.00 178.83 177.51 1rck h VAL 16 N 0.30 1.33 -0.46 2.39 2.07 -1.50 0.01 116.25 120.39 1rck h VAL 16 Ca -0.04 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1rck h VAL 16 Cb 1.35 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1rck h VAL 16 CO 0.13 0.34 0.07 0.08 0.02 0.00 0.00 177.57 178.21 1rck h ARG 17 N -0.09 0.76 -0.31 1.57 0.11 -1.57 -0.87 114.38 113.98 1rck h ARG 17 Ca 0.02 -0.21 -0.00 0.00 0.10 0.00 0.00 59.98 59.90 1rck h ARG 17 Cb 0.58 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 1rck h ARG 17 CO 0.02 0.78 0.18 0.00 0.10 0.00 0.00 179.97 181.06 1rck h ALA 18 N 0.95 0.39 -0.92 0.08 0.00 -1.21 0.19 119.26 118.74 1rck h ALA 18 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1rck h ALA 18 Cb 0.39 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1rck h ALA 18 CO 0.01 -0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.77 1rck h ALA 19 N 1.06 1.41 0.00 0.00 0.00 -0.85 -1.87 119.26 119.01 1rck h ALA 19 Ca 0.11 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1rck h ALA 19 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1rck h ALA 19 CO -0.02 0.50 -0.68 0.00 0.00 0.00 0.00 179.25 179.05 1rck h ALA 20 N 1.46 0.86 0.00 0.00 0.00 -0.38 -1.59 119.26 119.61 1rck h ALA 20 Ca 0.36 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1rck h ALA 20 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rck h ALA 20 CO -0.11 0.85 -0.22 -0.91 0.00 0.00 0.00 179.25 178.86 1rck h ASN 21 N 0.00 0.00 0.08 0.00 -0.26 0.10 0.00 115.58 115.50 1rck h ASN 21 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1rck h ASN 21 Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 1rck h ASN 21 CO 0.09 0.22 -0.04 0.00 -1.06 0.00 0.00 177.43 176.64 1rck h ALA 22 N 1.78 -0.16 -0.96 -0.83 0.00 -1.14 -2.89 119.26 115.06 1rck h ALA 22 Ca -0.00 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1rck h ALA 22 Cb 0.71 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 1rck h ALA 22 CO 0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 179.25 178.87 1rck n ALA 23 N -2.44 0.18 0.11 0.00 0.00 -0.62 -0.71 120.51 117.04 1rck n ALA 23 Ca -0.01 1.04 -0.12 0.00 0.00 0.00 0.00 53.44 54.35 1rck n ALA 23 Cb 0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 1rck n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rck h GLN 25 N -0.58 0.86 -0.05 0.00 4.20 -1.18 -2.65 115.11 115.72 1rck h GLN 25 Ca -0.01 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1rck h GLN 25 Cb 0.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1rck h GLN 25 CO -0.17 0.89 -0.36 1.88 -0.67 0.00 0.00 178.83 180.41 1rck h TYR 26 N 0.73 0.10 0.11 2.96 0.05 -0.88 -1.85 116.97 118.18 1rck h TYR 26 Ca 0.14 -0.02 -0.24 0.00 0.05 0.00 0.00 58.73 58.66 1rck h TYR 26 Cb 0.49 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1rck h TYR 26 CO 0.04 0.44 -1.18 -0.92 -1.05 0.00 0.00 178.16 175.48 1rck h TYR 27 N 0.08 0.42 0.06 4.88 3.20 -1.08 -2.52 116.97 122.01 1rck h TYR 27 Ca 0.01 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 1rck h TYR 27 Cb 0.67 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1rck h TYR 27 CO 0.00 1.46 -0.03 1.96 -1.64 0.00 0.00 178.16 179.92 1rck h GLN 28 N -0.40 -0.08 0.00 1.82 1.08 -1.52 -3.24 115.11 112.77 1rck h GLN 28 Ca -0.25 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 1rck h GLN 28 Cb 1.66 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 29.11 1rck h GLN 28 CO 0.06 0.37 -0.06 -0.91 -0.95 0.00 0.00 178.83 177.35 1rck h ASN 29 N -0.56 0.00 -4.96 1.46 2.35 -1.54 -3.48 115.58 108.85 1rck h ASN 29 Ca -0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1rck h ASN 29 Cb 0.49 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.93 1rck h ASN 29 CO 0.01 0.06 -0.33 0.47 -1.65 0.00 0.00 177.43 175.98 1rck n ASP 30 N -3.12 -6.28 -3.95 5.81 8.00 -0.99 -5.05 116.55 110.98 1rck n ASP 30 Ca 0.03 -0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.13 1rck n ASP 30 Cb 0.51 -4.43 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 1rck n ASP 30 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1rck s ASP 31 N -3.05 -0.07 -0.73 -2.24 -4.77 -0.99 -5.02 116.67 99.80 1rck s ASP 31 Ca 0.18 -0.85 -0.05 0.00 -3.30 0.00 0.00 52.55 48.54 1rck s ASP 31 Cb -0.02 0.52 0.01 0.00 -1.09 0.00 0.00 42.92 42.34 1rck s ASP 31 CO 0.61 -1.03 0.65 0.35 0.70 0.00 0.00 175.17 176.45 1rck n THR 32 N -0.31 -6.66 -3.74 2.11 -2.24 -1.26 -4.37 114.28 97.81 1rck n THR 32 Ca -0.05 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1rck n THR 32 Cb 0.63 -4.89 -0.09 0.00 -2.10 0.00 0.00 70.33 63.88 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rck s ALA 33 N -2.84 -0.92 1.00 6.98 0.00 -1.26 -4.87 121.76 119.86 1rck s ALA 33 Ca 0.05 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1rck s ALA 33 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1rck s ALA 33 CO 0.83 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1rck n GLY 34 N 2.07 -1.41 2.00 0.00 0.00 -1.26 -4.91 105.19 101.69 1rck n GLY 34 Ca -0.17 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1rck n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 35 N -1.76 5.73 -3.90 1.61 7.64 -1.26 -4.80 113.62 116.88 1rck n SER 35 Ca 0.00 -2.72 -0.09 0.00 1.01 0.00 0.00 58.87 57.07 1rck n SER 35 Cb 0.00 -1.27 -0.07 0.00 -1.01 0.00 0.00 64.21 61.86 1rck n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1rck s SER 36 N 1.36 0.11 -0.00 6.43 1.04 -1.26 -5.04 113.70 116.34 1rck s SER 36 Ca 0.47 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1rck s SER 36 Cb 0.26 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1rck s SER 36 CO -0.05 -0.77 1.33 0.35 0.98 0.00 0.00 173.24 175.08 1rck n THR 37 N -0.10 1.34 -3.33 2.02 -2.24 -1.26 -4.86 114.28 105.85 1rck n THR 37 Ca -0.13 -0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 1rck n THR 37 Cb 0.63 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rck s TYR 38 N -0.02 3.44 0.04 4.78 1.51 -1.26 -1.13 117.35 124.70 1rck s TYR 38 Ca 0.00 0.77 -0.30 0.00 -1.01 0.00 0.00 57.07 56.54 1rck s TYR 38 Cb 0.00 -2.57 -0.09 0.00 -0.11 0.00 0.00 41.96 39.20 1rck s TYR 38 CO 0.00 0.05 1.92 -2.14 -1.11 0.00 0.00 175.55 174.27 1rck s PRO 39 N 1.07 4.15 0.20 -1.71 0.02 -1.26 -4.71 135.00 132.76 1rck s PRO 39 Ca 0.23 2.57 0.05 0.00 0.02 0.00 0.00 61.00 63.87 1rck s PRO 39 Cb -0.15 -4.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 1rck s PRO 39 CO 0.09 -0.93 0.22 -3.38 -0.33 0.00 0.00 177.00 172.67 1rck s HIS 40 N 4.20 3.25 -0.03 6.54 -3.43 -0.28 -4.77 115.29 120.78 1rck s HIS 40 Ca 0.86 -0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 54.80 1rck s HIS 40 Cb -0.42 -1.52 -0.07 0.00 -1.43 0.00 0.00 32.58 29.14 1rck s HIS 40 CO 0.40 0.51 1.87 0.95 -2.00 0.00 0.00 174.74 176.46 1rck s THR 41 N -1.90 3.24 -0.59 -5.38 -4.23 -1.26 -1.61 115.64 103.91 1rck s THR 41 Ca 0.33 0.28 -0.27 0.00 -1.18 0.00 0.00 61.69 60.85 1rck s THR 41 Cb -0.09 -3.20 0.03 0.00 1.34 0.00 0.00 72.50 70.58 1rck s THR 41 CO 0.26 -0.04 1.13 -0.47 -0.54 0.00 0.00 174.62 174.95 1rck s TYR 42 N 4.70 2.63 -0.13 3.99 5.04 -1.04 -4.92 117.35 127.61 1rck s TYR 42 Ca 0.84 0.24 -0.18 0.00 -2.44 0.00 0.00 57.07 55.52 1rck s TYR 42 Cb -0.38 -4.40 0.05 0.00 0.35 0.00 0.00 41.96 37.58 1rck s TYR 42 CO 0.36 -1.57 0.48 1.21 -1.34 0.00 0.00 175.55 174.70 1rck s ASN 43 N 3.01 -0.47 1.28 4.32 3.84 -1.26 -4.79 114.94 120.87 1rck s ASN 43 Ca 0.38 0.78 0.00 0.00 0.21 0.00 0.00 52.86 54.23 1rck s ASN 43 Cb -0.09 0.81 0.00 0.00 -0.55 0.00 0.00 41.25 41.42 1rck s ASN 43 CO 0.23 -0.28 0.00 -3.20 -2.79 0.00 0.00 177.10 171.06 1rck n ASN 44 N 2.28 0.00 0.00 -4.21 2.85 -1.26 -4.87 115.26 110.06 1rck n ASN 44 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1rck n ASN 44 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rck n TYR 45 N 14.00 0.00 0.00 1.20 4.19 -1.26 -2.14 117.16 133.15 1rck n TYR 45 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1rck n TYR 45 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1rck n GLU 46 N 0.00 0.71 -0.97 2.98 1.02 -1.26 -5.11 120.64 118.02 1rck n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1rck n GLU 46 Cb 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rck n GLY 47 N 2.52 0.08 0.00 0.62 0.00 -0.91 -5.12 105.19 102.37 1rck n GLY 47 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1rck n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rck n PHE 48 N -0.62 -3.43 -3.61 1.61 -0.00 -1.26 -5.10 117.46 105.05 1rck n PHE 48 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 1rck n PHE 48 Cb 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.73 1rck n PHE 48 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1rck s ASP 49 N -1.00 -0.33 -0.07 -2.13 -4.77 -1.26 -5.11 116.67 102.01 1rck s ASP 49 Ca 0.00 -0.07 -0.12 0.00 -3.30 0.00 0.00 52.55 49.06 1rck s ASP 49 Cb 0.00 0.47 0.03 0.00 -1.09 0.00 0.00 42.92 42.33 1rck s ASP 49 CO 0.00 -0.77 0.31 -0.36 0.70 0.00 0.00 175.17 175.05 1rck s PHE 50 N -3.02 -0.26 0.28 2.11 0.08 -1.26 -5.01 117.98 110.89 1rck s PHE 50 Ca -0.02 0.57 -0.00 0.00 0.12 0.00 0.00 56.93 57.60 1rck s PHE 50 Cb 0.00 0.10 0.65 0.00 -0.57 0.00 0.00 43.02 43.20 1rck s PHE 50 CO -0.06 -0.26 1.64 -1.35 -0.10 0.00 0.00 175.22 175.08 1rck h PRO 51 N 4.86 0.16 -6.84 0.24 0.11 -2.00 -3.41 132.00 125.12 1rck h PRO 51 Ca -0.28 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.35 1rck h PRO 51 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1rck h PRO 51 CO 0.35 0.10 0.20 0.14 -0.21 0.00 0.00 178.00 178.58 1rck s VAL 52 N -5.99 4.53 0.56 3.15 -7.23 -1.26 -5.09 120.40 109.08 1rck s VAL 52 Ca -0.12 1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 61.27 1rck s VAL 52 Cb 0.25 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.57 1rck s VAL 52 CO 0.77 -0.18 0.80 1.51 -0.31 0.00 0.00 175.10 177.69 1rck s ASP 53 N -2.14 5.32 0.00 4.85 -4.77 -1.26 -5.06 116.67 113.61 1rck s ASP 53 Ca 0.56 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.96 1rck s ASP 53 Cb -0.11 -1.07 0.00 0.00 -1.09 0.00 0.00 42.92 40.65 1rck s ASP 53 CO 0.17 -1.13 0.00 0.61 0.70 0.00 0.00 175.17 175.51 1rck n GLY 54 N -2.40 2.20 3.69 2.12 0.00 -1.26 -4.74 105.19 104.81 1rck n GLY 54 Ca 0.07 -2.01 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 1rck n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rck n PRO 55 N 0.00 2.52 -4.32 1.61 -0.02 -1.26 -4.97 135.00 128.56 1rck n PRO 55 Ca 0.00 0.91 -0.24 0.00 -2.02 0.00 0.00 63.50 62.15 1rck n PRO 55 Cb 0.00 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 30.65 1rck n PRO 55 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1rck s TYR 56 N 1.68 2.62 0.15 6.00 -0.85 -1.26 -2.49 117.35 123.19 1rck s TYR 56 Ca 0.79 -0.24 0.01 0.00 -0.52 0.00 0.00 57.07 57.11 1rck s TYR 56 Cb -0.57 -1.19 -0.04 0.00 0.38 0.00 0.00 41.96 40.53 1rck s TYR 56 CO 0.37 0.60 0.02 -0.65 -1.52 0.00 0.00 175.55 174.37 1rck s GLN 57 N -3.40 1.00 0.57 -3.49 1.11 -0.33 -2.50 119.66 112.63 1rck s GLN 57 Ca 0.29 -1.47 -0.13 0.00 0.01 0.00 0.00 55.36 54.06 1rck s GLN 57 Cb -0.07 -0.05 -0.06 0.00 -1.01 0.00 0.00 33.01 31.82 1rck s GLN 57 CO 0.18 -0.17 1.01 -2.00 0.01 0.00 0.00 175.29 174.32 1rck s GLU 58 N -3.96 3.75 -0.33 2.91 2.56 -0.63 -1.26 118.70 121.74 1rck s GLU 58 Ca 0.22 0.84 0.07 0.00 0.00 0.00 0.00 54.97 56.10 1rck s GLU 58 Cb 0.07 -2.10 0.19 0.00 2.00 0.00 0.00 34.13 34.29 1rck s GLU 58 CO 0.02 -0.44 0.61 0.12 -0.56 0.00 0.00 175.26 175.01 1rck s PHE 59 N -2.93 -1.82 0.43 5.30 5.36 -0.61 -3.99 117.98 119.72 1rck s PHE 59 Ca 0.57 0.82 -0.24 0.00 -0.96 0.00 0.00 56.93 57.12 1rck s PHE 59 Cb -0.11 0.32 -0.08 0.00 -0.34 0.00 0.00 43.02 42.81 1rck s PHE 59 CO 0.44 -1.11 1.13 -1.25 -1.46 0.00 0.00 175.22 172.97 1rck s PRO 60 N 2.51 3.95 0.16 10.12 0.04 -1.26 -1.59 135.00 148.93 1rck s PRO 60 Ca 0.12 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1rck s PRO 60 Cb -0.08 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1rck s PRO 60 CO -0.20 -0.38 0.12 1.51 0.04 0.00 0.00 177.00 178.10 1rck n ILE 61 N -0.24 0.00 -3.50 0.56 3.06 -1.03 -3.85 119.36 114.37 1rck n ILE 61 Ca 0.06 -0.62 -0.17 0.00 -2.50 0.00 0.00 62.75 59.52 1rck n ILE 61 Cb 0.48 -0.39 -0.05 0.00 0.54 0.00 0.00 39.64 40.22 1rck n ILE 61 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1rck s LYS 62 N -2.65 1.11 -0.31 9.51 2.20 -1.02 -4.38 119.74 124.20 1rck s LYS 62 Ca 0.09 0.10 -0.06 0.00 -0.36 0.00 0.00 55.97 55.75 1rck s LYS 62 Cb -0.01 0.52 -0.19 0.00 -1.51 0.00 0.00 37.83 36.64 1rck s LYS 62 CO 0.06 -0.38 2.99 0.45 -0.36 0.00 0.00 175.35 178.11 1rck n SER 63 N 0.64 5.01 0.00 1.43 2.88 -1.26 -3.84 113.62 118.48 1rck n SER 63 Ca -0.19 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 1rck n SER 63 Cb 0.59 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 64 N 2.83 0.60 0.00 0.46 0.00 -1.26 -5.02 105.19 102.80 1rck n GLY 64 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1rck n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 65 N 0.00 -1.82 5.97 -0.02 0.00 -1.25 -5.15 105.19 102.93 1rck n GLY 65 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1rck n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rck n VAL 66 N 0.00 0.00 -0.16 1.61 3.14 -1.26 -4.69 118.33 116.97 1rck n VAL 66 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1rck n VAL 66 Cb 0.00 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 32.94 1rck n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rck n TYR 67 N 11.94 -2.87 -1.93 1.45 0.18 -1.25 -2.42 117.16 122.27 1rck n TYR 67 Ca 0.00 -0.41 -0.31 0.00 1.88 0.00 0.00 57.90 59.06 1rck n TYR 67 Cb 0.00 -0.76 0.01 0.00 -0.38 0.00 0.00 39.34 38.21 1rck n TYR 67 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1rck s THR 68 N -1.61 4.53 0.00 -3.48 -4.23 -1.26 -4.55 115.64 105.03 1rck s THR 68 Ca 0.36 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1rck s THR 68 Cb -0.06 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1rck s THR 68 CO 0.30 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 1rck n GLY 69 N -2.33 0.00 0.00 3.99 0.00 -1.26 -5.14 105.19 100.45 1rck n GLY 69 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1rck n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 70 N 0.00 -0.54 3.43 -0.02 0.00 -1.26 -5.18 105.19 101.61 1rck n GLY 70 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1rck n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rck s SER 71 N -4.00 -0.54 0.74 1.61 1.04 -1.26 -4.77 113.70 106.51 1rck s SER 71 Ca 0.00 0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 1rck s SER 71 Cb 0.00 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1rck s SER 71 CO 0.00 -0.83 1.12 -2.16 0.98 0.00 0.00 173.24 172.35 1rck s PRO 72 N -2.92 2.57 0.00 4.02 0.04 -1.26 -5.19 135.00 132.25 1rck s PRO 72 Ca -0.03 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1rck s PRO 72 Cb -0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1rck s PRO 72 CO -0.06 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1rck n GLY 73 N -3.05 1.16 3.08 0.56 0.00 -1.26 -4.94 105.19 100.75 1rck n GLY 73 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1rck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 74 N -3.00 -1.00 -3.32 4.61 0.00 -1.26 -4.92 120.51 111.62 1rck n ALA 74 Ca 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 1rck n ALA 74 Cb 0.00 -3.85 -0.07 0.00 0.00 0.00 0.00 19.45 15.53 1rck n ALA 74 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rck s ASP 75 N -2.73 0.07 -0.08 0.00 -4.77 -1.26 -2.13 116.67 105.77 1rck s ASP 75 Ca 0.33 0.17 -0.04 0.00 -3.30 0.00 0.00 52.55 49.71 1rck s ASP 75 Cb -0.15 1.24 0.04 0.00 -1.09 0.00 0.00 42.92 42.96 1rck s ASP 75 CO 0.40 -0.31 0.18 0.00 0.70 0.00 0.00 175.17 176.14 1rck s ARG 76 N 2.58 0.13 0.22 2.11 1.70 -0.96 -2.46 118.95 122.28 1rck s ARG 76 Ca 0.13 0.41 0.02 0.00 -0.47 0.00 0.00 55.73 55.82 1rck s ARG 76 Cb -0.15 -0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.05 1rck s ARG 76 CO -0.20 -0.16 0.37 0.14 -1.08 0.00 0.00 175.30 174.38 1rck s VAL 77 N 1.14 5.25 -0.03 4.99 -7.23 -0.62 -2.11 120.40 121.78 1rck s VAL 77 Ca -0.09 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1rck s VAL 77 Cb -0.11 -3.80 0.01 0.00 0.56 0.00 0.00 36.38 33.05 1rck s VAL 77 CO -0.06 -0.26 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.74 1rck s VAL 78 N -1.93 0.44 0.54 1.32 1.01 -0.70 -1.57 120.40 119.51 1rck s VAL 78 Ca 0.36 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1rck s VAL 78 Cb -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1rck s VAL 78 CO 0.30 0.18 0.14 2.30 0.00 0.00 0.00 175.10 178.01 1rck n ILE 79 N 3.69 0.00 -3.15 2.22 -5.35 -0.39 -1.44 119.36 114.94 1rck n ILE 79 Ca -0.22 -2.40 -0.19 0.00 -0.27 0.00 0.00 62.75 59.66 1rck n ILE 79 Cb 0.53 0.33 0.03 0.00 -1.74 0.00 0.00 39.64 38.79 1rck n ILE 79 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1rck s ASN 80 N -4.03 5.25 -0.09 7.28 -0.87 0.05 -1.19 114.94 121.34 1rck s ASN 80 Ca 0.11 -0.72 -0.05 0.00 -1.57 0.00 0.00 52.86 50.62 1rck s ASN 80 Cb -0.01 -0.10 -0.18 0.00 -0.02 0.00 0.00 41.25 40.94 1rck s ASN 80 CO 0.07 -1.06 3.32 1.07 -2.57 0.00 0.00 177.10 177.93 1rck n THR 81 N -2.00 2.98 0.00 1.60 5.66 -1.04 -4.12 114.28 117.36 1rck n THR 81 Ca 0.10 -1.71 0.00 0.00 -3.05 0.00 0.00 64.05 59.40 1rck n THR 81 Cb 0.61 -1.88 0.00 0.00 -1.55 0.00 0.00 70.33 67.51 1rck n THR 81 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1rck n ASN 82 N 2.08 0.00 0.00 1.09 3.02 -1.26 -5.04 115.26 115.15 1rck n ASN 82 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1rck n ASN 82 Cb 0.81 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rck s GLU 84 N 0.00 4.82 -0.04 0.00 2.12 -1.26 -4.81 118.70 119.54 1rck s GLU 84 Ca 0.00 1.48 -0.30 0.00 0.36 0.00 0.00 54.97 56.51 1rck s GLU 84 Cb 0.00 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 1rck s GLU 84 CO 0.00 0.46 0.99 -0.47 -0.54 0.00 0.00 175.26 175.69 1rck s TYR 85 N -0.93 3.61 -0.23 5.30 6.14 -1.26 -0.77 117.35 129.21 1rck s TYR 85 Ca 0.42 1.66 -0.15 0.00 0.64 0.00 0.00 57.07 59.64 1rck s TYR 85 Cb -0.25 -3.14 -0.17 0.00 0.42 0.00 0.00 41.96 38.81 1rck s TYR 85 CO 0.31 -0.09 -0.00 0.00 0.64 0.00 0.00 175.55 176.42 1rck n ALA 86 N 4.29 1.00 0.00 3.97 0.00 -0.52 -4.89 120.51 124.35 1rck n ALA 86 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1rck n ALA 86 Cb 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1rck n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 87 N 1.51 -1.21 2.98 0.00 0.00 -1.01 -4.69 105.19 102.77 1rck n GLY 87 Ca -0.41 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 1rck n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck s ALA 88 N -1.42 0.46 0.05 4.61 0.00 -1.26 -1.72 121.76 122.47 1rck s ALA 88 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1rck s ALA 88 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1rck s ALA 88 CO 0.00 0.08 0.00 0.96 0.00 0.00 0.00 175.76 176.81 1rck s ILE 89 N -0.36 0.18 -0.02 0.00 -4.36 -0.90 -1.95 121.20 113.80 1rck s ILE 89 Ca -0.00 -1.48 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1rck s ILE 89 Cb -0.04 -1.17 0.03 0.00 1.25 0.00 0.00 42.46 42.54 1rck s ILE 89 CO -0.00 -0.82 0.35 0.28 0.24 0.00 0.00 174.94 175.00 1rck s THR 90 N -3.24 0.05 -0.19 8.37 -1.32 -0.94 -2.26 115.64 116.12 1rck s THR 90 Ca 0.01 -0.41 0.17 0.00 -1.21 0.00 0.00 61.69 60.24 1rck s THR 90 Cb 0.03 -0.66 0.12 0.00 -1.51 0.00 0.00 72.50 70.48 1rck s THR 90 CO -0.07 -0.23 1.49 0.45 -2.21 0.00 0.00 174.62 174.05 1rck h HIS 91 N 3.79 0.00 -0.92 9.09 3.86 -1.63 -1.50 115.15 127.84 1rck h HIS 91 Ca -0.29 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.39 1rck h HIS 91 Cb 1.17 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 1rck h HIS 91 CO 0.51 0.40 1.62 2.41 0.86 0.00 0.00 177.93 183.73 1rck n THR 92 N -3.21 0.01 -1.27 2.45 -1.04 -1.26 -1.69 114.28 108.27 1rck n THR 92 Ca 0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1rck n THR 92 Cb 0.68 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rck n GLY 93 N 6.32 0.58 3.56 3.41 0.00 -1.26 -4.49 105.19 113.31 1rck n GLY 93 Ca 0.48 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1rck n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck s ALA 94 N -2.84 0.53 -1.42 4.61 0.00 -0.68 -4.75 121.76 117.20 1rck s ALA 94 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 1rck s ALA 94 Cb 0.00 1.05 0.05 0.00 0.00 0.00 0.00 23.12 24.23 1rck s ALA 94 CO 0.00 -0.83 2.49 0.45 0.00 0.00 0.00 175.76 177.87 1rck n SER 95 N -1.54 7.59 0.00 0.00 2.88 -1.26 -4.90 113.62 116.39 1rck n SER 95 Ca -0.01 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1rck n SER 95 Cb 0.61 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 96 N 2.62 1.34 0.17 0.46 0.00 -1.26 -3.07 105.19 105.46 1rck n GLY 96 Ca 0.64 0.29 0.06 0.00 0.00 0.00 0.00 46.02 47.01 1rck n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1rck h ASN 97 N 0.00 0.00 -4.22 1.61 -1.07 -1.95 -3.47 115.58 106.48 1rck h ASN 97 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 1rck h ASN 97 Cb 0.00 0.00 0.19 0.00 -2.07 0.00 0.00 38.32 36.44 1rck h ASN 97 CO 0.00 0.30 0.24 0.59 0.07 0.00 0.00 177.43 178.63 1rck n ASN 98 N -3.19 0.55 -4.24 6.14 3.02 -1.17 -4.98 115.26 111.38 1rck n ASN 98 Ca 0.03 0.48 -0.30 0.00 -0.03 0.00 0.00 54.58 54.75 1rck n ASN 98 Cb 0.64 -1.48 -0.16 0.00 -0.61 0.00 0.00 39.78 38.16 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1rck s PHE 99 N -2.43 2.31 0.31 3.10 0.08 -1.26 -4.39 117.98 115.70 1rck s PHE 99 Ca 0.69 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 57.13 1rck s PHE 99 Cb -0.25 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1rck s PHE 99 CO 0.55 -0.22 0.15 0.14 -0.10 0.00 0.00 175.22 175.75 1rck s VAL 100 N -0.10 3.38 0.42 -0.44 -7.23 -0.57 -4.91 120.40 110.96 1rck s VAL 100 Ca -0.04 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.28 1rck s VAL 100 Cb -0.14 -3.05 -0.11 0.00 0.56 0.00 0.00 36.38 33.65 1rck s VAL 100 CO 0.04 -0.24 0.96 -0.83 -0.31 0.00 0.00 175.10 174.72 1rck s GLY 101 N -3.84 2.45 0.15 2.32 0.00 -1.24 -2.22 107.32 104.94 1rck s GLY 101 Ca 0.37 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1rck s GLY 101 CO 0.23 0.73 0.02 0.00 0.00 0.00 0.00 173.10 174.09 1rck n SER 103 N -0.17 -0.33 -1.82 0.00 3.41 -1.26 -3.30 113.62 110.15 1rck n SER 103 Ca -0.06 -1.07 -0.02 0.00 -0.26 0.00 0.00 58.87 57.46 1rck n SER 103 Cb 0.63 -2.74 0.01 0.00 -0.26 0.00 0.00 64.21 61.85 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 104 N -2.10 0.11 3.05 5.00 0.00 -1.26 -4.97 105.19 105.02 1rck n GLY 104 Ca -0.30 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1rck n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rck s THR 105 N -3.05 -0.03 -2.37 2.61 2.01 -1.21 -5.09 115.64 108.51 1rck s THR 105 Ca 0.05 0.11 0.29 0.00 0.31 0.00 0.00 61.69 62.45 1rck s THR 105 Cb -0.01 -0.34 0.64 0.00 0.01 0.00 0.00 72.50 72.80 1rck s THR 105 CO 0.14 0.04 1.87 -3.20 -0.69 0.00 0.00 174.62 172.79