#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 0.00 -3.56 -1.46 0.00 -1.26 -4.82 120.51 109.40 1rck n ALA 3 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1rck n ALA 3 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 4.34 -0.52 0.00 -4.23 -0.86 -4.63 115.64 109.74 1rck s THR 4 Ca 0.00 -2.34 -0.13 0.00 -1.18 0.00 0.00 61.69 58.04 1rck s THR 4 Cb 0.00 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 70.16 1rck s THR 4 CO 0.00 -0.87 0.44 -0.89 -0.54 0.00 0.00 174.62 172.77 1rck s THR 5 N 0.61 4.78 -1.17 3.99 2.01 -1.26 -1.35 115.64 123.25 1rck s THR 5 Ca 0.12 -1.67 -0.13 0.00 0.31 0.00 0.00 61.69 60.32 1rck s THR 5 Cb -0.21 -4.09 0.19 0.00 0.01 0.00 0.00 72.50 68.40 1rck s THR 5 CO -0.04 -0.84 1.34 0.00 -0.69 0.00 0.00 174.62 174.40 1rck n GLY 7 N 3.86 1.91 0.53 0.00 0.00 -1.26 -2.83 105.19 107.40 1rck n GLY 7 Ca 0.33 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.50 1rck n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 8 N 4.39 1.71 -4.57 1.61 2.88 -1.26 -4.98 113.62 113.40 1rck n SER 8 Ca 0.00 0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 57.16 1rck n SER 8 Cb 0.00 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rck s THR 9 N -2.05 3.16 -0.05 2.46 2.01 -1.13 -4.96 115.64 115.07 1rck s THR 9 Ca -0.04 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1rck s THR 9 Cb 0.01 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1rck s THR 9 CO 0.06 -0.26 0.64 0.21 -0.69 0.00 0.00 174.62 174.58 1rck s ASN 10 N 9.49 6.95 -0.02 3.53 2.47 -1.26 -1.93 114.94 134.17 1rck s ASN 10 Ca 0.89 1.14 0.03 0.00 0.42 0.00 0.00 52.86 55.34 1rck s ASN 10 Cb -0.21 -2.38 -0.01 0.00 -1.45 0.00 0.00 41.25 37.20 1rck s ASN 10 CO 0.28 -0.04 -0.11 -0.31 -3.72 0.00 0.00 177.10 173.20 1rck s TYR 11 N 0.49 1.04 0.67 0.43 2.02 -0.46 -5.01 117.35 116.54 1rck s TYR 11 Ca 0.34 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 1rck s TYR 11 Cb -0.18 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1rck s TYR 11 CO 0.17 -0.05 1.05 -1.54 -1.57 0.00 0.00 175.55 173.61 1rck s SER 12 N -0.12 5.72 0.20 2.29 1.04 -1.26 -2.04 113.70 119.53 1rck s SER 12 Ca 0.02 1.47 0.17 0.00 0.48 0.00 0.00 55.95 58.08 1rck s SER 12 Cb -0.06 -2.41 0.82 0.00 0.10 0.00 0.00 66.02 64.47 1rck s SER 12 CO -0.00 -1.21 1.52 0.00 0.98 0.00 0.00 173.24 174.53 1rck n ALA 13 N -2.97 1.27 0.10 5.32 0.00 -1.26 -1.37 120.51 121.61 1rck n ALA 13 Ca 0.07 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1rck n ALA 13 Cb 0.54 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 1rck n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rck h SER 14 N 0.00 0.69 -0.49 0.00 0.87 -1.99 -2.69 113.55 109.94 1rck h SER 14 Ca 0.00 -0.93 -0.05 0.00 -1.23 0.00 0.00 61.79 59.58 1rck h SER 14 Cb 0.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1rck h SER 14 CO 0.00 1.65 0.12 1.56 -0.53 0.00 0.00 176.83 179.63 1rck h GLN 15 N -0.02 0.85 0.12 2.24 7.50 -1.58 -1.08 115.11 123.14 1rck h GLN 15 Ca -0.25 -0.18 -0.00 0.00 0.50 0.00 0.00 58.65 58.72 1rck h GLN 15 Cb 2.01 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 29.41 1rck h GLN 15 CO 0.21 0.77 -0.06 0.28 -1.50 0.00 0.00 178.83 178.53 1rck h VAL 16 N 0.81 0.87 -0.76 -0.54 2.07 -1.49 -0.64 116.25 116.57 1rck h VAL 16 Ca 0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1rck h VAL 16 Cb 0.31 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1rck h VAL 16 CO 0.00 0.00 0.33 0.03 0.02 0.00 0.00 177.57 177.95 1rck h ARG 17 N -0.17 1.12 0.10 1.57 -0.00 -1.13 -1.05 114.38 114.82 1rck h ARG 17 Ca -0.01 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.98 59.28 1rck h ARG 17 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 29.91 1rck h ARG 17 CO 0.02 0.89 -0.05 0.00 0.00 0.00 0.00 179.97 180.84 1rck h ALA 18 N 1.26 -0.13 -0.89 0.04 0.00 -1.06 -0.86 119.26 117.61 1rck h ALA 18 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rck h ALA 18 Cb 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1rck h ALA 18 CO -0.03 -0.35 0.59 0.00 0.00 0.00 0.00 179.25 179.46 1rck h ALA 19 N 0.25 1.40 0.06 0.00 0.00 -1.07 -1.65 119.26 118.25 1rck h ALA 19 Ca -0.01 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 1rck h ALA 19 Cb 0.47 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1rck h ALA 19 CO 0.02 0.54 -1.03 0.00 0.00 0.00 0.00 179.25 178.77 1rck h ALA 20 N 1.46 0.05 0.00 0.00 0.00 -1.20 -1.27 119.26 118.29 1rck h ALA 20 Ca 0.34 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 20 Cb -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rck h ALA 20 CO -0.09 0.61 -0.03 -0.97 0.00 0.00 0.00 179.25 178.77 1rck h ASN 21 N 0.22 0.00 0.00 0.00 -1.24 -0.94 -0.64 115.58 112.98 1rck h ASN 21 Ca -0.15 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1rck h ASN 21 Cb 1.72 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.76 1rck h ASN 21 CO 0.20 0.03 -0.20 0.00 -1.29 0.00 0.00 177.43 176.17 1rck h ALA 22 N 1.97 0.01 -0.81 1.57 0.00 -1.20 -2.78 119.26 118.01 1rck h ALA 22 Ca -0.00 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.88 1rck h ALA 22 Cb 0.24 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 1rck h ALA 22 CO 0.00 0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.45 1rck h ALA 23 N -0.94 0.87 0.38 0.00 0.00 -1.15 -0.12 119.26 118.30 1rck h ALA 23 Ca -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1rck h ALA 23 Cb 0.25 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1rck h ALA 23 CO -0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 179.25 178.62 1rck h GLN 25 N -0.57 0.38 -0.06 0.00 4.15 -1.01 -1.64 115.11 116.37 1rck h GLN 25 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1rck h GLN 25 Cb 0.43 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1rck h GLN 25 CO 0.09 0.25 -0.01 1.88 -1.93 0.00 0.00 178.83 179.10 1rck h TYR 26 N 0.39 0.12 -0.30 3.99 0.05 -1.05 -0.43 116.97 119.75 1rck h TYR 26 Ca 0.19 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1rck h TYR 26 Cb 0.12 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1rck h TYR 26 CO -0.11 0.45 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.43 1rck h TYR 27 N -0.24 0.52 0.06 4.88 3.20 -1.02 0.51 116.97 124.89 1rck h TYR 27 Ca 0.01 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 1rck h TYR 27 Cb 0.41 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1rck h TYR 27 CO 0.05 0.57 -0.72 1.96 -1.64 0.00 0.00 178.16 178.39 1rck h GLN 28 N 0.46 0.13 0.00 1.82 4.20 -1.33 -3.34 115.11 117.06 1rck h GLN 28 Ca 0.09 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1rck h GLN 28 Cb 0.44 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1rck h GLN 28 CO 0.02 1.11 0.00 -1.71 -0.67 0.00 0.00 178.83 177.58 1rck n ASN 29 N -4.30 0.00 -2.27 1.46 4.05 -0.17 -4.91 115.26 109.12 1rck n ASN 29 Ca -0.18 -0.18 -0.03 0.00 0.45 0.00 0.00 54.58 54.65 1rck n ASN 29 Cb 0.69 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.53 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1rck n ASP 30 N -1.18 -5.21 -3.69 1.20 2.03 -0.74 -5.03 116.55 103.94 1rck n ASP 30 Ca 0.10 0.18 -0.15 0.00 0.52 0.00 0.00 54.79 55.44 1rck n ASP 30 Cb 0.11 -3.38 -0.14 0.00 -0.72 0.00 0.00 41.12 36.99 1rck n ASP 30 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1rck s ASP 31 N -2.09 0.37 -0.99 1.67 1.01 0.09 -5.03 116.67 111.70 1rck s ASP 31 Ca 0.09 0.43 -0.08 0.00 0.71 0.00 0.00 52.55 53.71 1rck s ASP 31 Cb -0.03 0.41 0.25 0.00 1.01 0.00 0.00 42.92 44.56 1rck s ASP 31 CO 0.41 -0.22 0.94 0.42 0.21 0.00 0.00 175.17 176.93 1rck s THR 32 N 2.03 5.43 -0.19 -1.27 -4.23 -1.26 -4.23 115.64 111.91 1rck s THR 32 Ca -0.01 -3.35 -0.28 0.00 -1.18 0.00 0.00 61.69 56.86 1rck s THR 32 Cb -0.12 -4.30 -0.05 0.00 1.34 0.00 0.00 72.50 69.37 1rck s THR 32 CO -0.07 -1.12 2.07 0.00 -0.54 0.00 0.00 174.62 174.96 1rck s ALA 33 N -0.99 2.92 -0.23 3.99 0.00 -1.26 -4.89 121.76 121.30 1rck s ALA 33 Ca 0.27 0.77 -0.32 0.00 0.00 0.00 0.00 51.96 52.68 1rck s ALA 33 Cb -0.10 -4.01 -0.09 0.00 0.00 0.00 0.00 23.12 18.92 1rck s ALA 33 CO -0.09 -2.52 2.13 0.41 0.00 0.00 0.00 175.76 175.69 1rck n GLY 34 N 5.44 0.95 1.80 0.00 0.00 -1.26 -4.33 105.19 107.79 1rck n GLY 34 Ca 0.26 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.14 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 9.82 0.06 0.04 1.61 7.64 -1.26 -3.15 113.62 128.38 1rck n SER 35 Ca 0.32 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1rck n SER 35 Cb 0.33 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rck n SER 36 N -3.23 -0.73 -1.11 6.43 7.64 -1.26 -4.55 113.62 116.81 1rck n SER 36 Ca 0.00 0.17 -0.07 0.00 1.01 0.00 0.00 58.87 59.98 1rck n SER 36 Cb 0.03 1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 64.21 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1rck n THR 37 N -2.68 0.00 -4.34 0.44 5.66 -1.26 -5.14 114.28 106.96 1rck n THR 37 Ca 0.00 -0.07 -0.22 0.00 -3.05 0.00 0.00 64.05 60.71 1rck n THR 37 Cb 0.00 0.53 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1rck s TYR 38 N 0.01 1.88 0.08 1.09 2.02 -1.26 -4.27 117.35 116.90 1rck s TYR 38 Ca 0.01 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 55.96 1rck s TYR 38 Cb 0.03 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1rck s TYR 38 CO -0.01 0.35 0.94 -1.25 -1.57 0.00 0.00 175.55 174.02 1rck s PRO 39 N -2.77 4.65 0.20 -1.71 0.04 -1.26 -4.24 135.00 129.91 1rck s PRO 39 Ca 0.16 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 1rck s PRO 39 Cb -0.06 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1rck s PRO 39 CO 0.07 0.17 0.46 -3.38 0.04 0.00 0.00 177.00 174.36 1rck s HIS 40 N 0.19 0.11 0.32 0.56 -3.43 -1.26 -4.93 115.29 106.85 1rck s HIS 40 Ca 0.47 -0.47 -0.28 0.00 -0.80 0.00 0.00 55.06 53.98 1rck s HIS 40 Cb -0.23 0.25 -0.13 0.00 -1.43 0.00 0.00 32.58 31.04 1rck s HIS 40 CO 0.29 -0.90 1.08 2.41 -2.00 0.00 0.00 174.74 175.62 1rck n THR 41 N -0.32 2.05 -3.90 -5.38 -1.04 -1.26 -2.51 114.28 101.91 1rck n THR 41 Ca -0.07 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.17 1rck n THR 41 Cb 0.62 -1.17 -0.17 0.00 -1.82 0.00 0.00 70.33 67.80 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1rck s TYR 42 N -1.10 1.47 -0.36 -1.42 5.04 -0.79 -4.79 117.35 115.40 1rck s TYR 42 Ca 0.58 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 1rck s TYR 42 Cb -0.65 -1.22 0.19 0.00 0.35 0.00 0.00 41.96 40.62 1rck s TYR 42 CO 0.60 -0.51 0.76 1.21 -1.34 0.00 0.00 175.55 176.27 1rck s ASN 43 N 1.71 -1.17 0.15 4.32 3.84 -1.26 -3.90 114.94 118.63 1rck s ASN 43 Ca 0.05 -0.41 -0.23 0.00 0.21 0.00 0.00 52.86 52.48 1rck s ASN 43 Cb -0.13 1.54 0.07 0.00 -0.55 0.00 0.00 41.25 42.18 1rck s ASN 43 CO -0.08 -0.15 0.58 0.54 -2.79 0.00 0.00 177.10 175.20 1rck s ASN 44 N 2.12 -0.54 0.35 -4.21 2.20 -1.26 -5.16 114.94 108.44 1rck s ASN 44 Ca 0.16 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.07 1rck s ASN 44 Cb -0.03 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.80 1rck s ASN 44 CO -0.13 -0.94 0.00 0.00 -2.94 0.00 0.00 177.10 173.08 1rck n TYR 45 N -0.32 -2.39 -0.07 1.54 9.36 -1.26 -4.86 117.16 119.16 1rck n TYR 45 Ca -0.17 1.29 -0.13 0.00 3.32 0.00 0.00 57.90 62.21 1rck n TYR 45 Cb 0.65 -2.18 -0.06 0.00 -0.63 0.00 0.00 39.34 37.12 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1rck n GLU 46 N -3.57 0.32 -0.42 2.98 -0.58 -1.26 -4.68 120.64 113.44 1rck n GLU 46 Ca -0.04 0.11 -0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1rck n GLU 46 Cb 0.43 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rck n GLY 47 N 2.46 2.43 3.55 0.62 0.00 -1.26 -4.69 105.19 108.29 1rck n GLY 47 Ca -0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1rck n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rck s PHE 48 N -0.02 -0.99 0.14 1.61 0.08 -1.26 -5.14 117.98 112.39 1rck s PHE 48 Ca 0.00 1.96 -0.10 0.00 0.12 0.00 0.00 56.93 58.91 1rck s PHE 48 Cb 0.00 0.57 0.04 0.00 -0.57 0.00 0.00 43.02 43.06 1rck s PHE 48 CO 0.00 -0.51 0.51 -0.40 -0.10 0.00 0.00 175.22 174.72 1rck n ASP 49 N 4.51 -1.05 -3.96 1.36 5.68 -1.26 -4.93 116.55 116.89 1rck n ASP 49 Ca -0.19 -1.63 -0.09 0.00 -0.50 0.00 0.00 54.79 52.38 1rck n ASP 49 Cb 0.56 1.73 -0.09 0.00 -1.14 0.00 0.00 41.12 42.18 1rck n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1rck s PHE 50 N -4.45 0.29 -0.08 2.11 0.08 -1.26 -5.03 117.98 109.65 1rck s PHE 50 Ca 0.11 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.42 1rck s PHE 50 Cb -0.02 -0.20 -0.19 0.00 -0.57 0.00 0.00 43.02 42.04 1rck s PHE 50 CO 0.04 -0.39 3.33 -0.35 -0.10 0.00 0.00 175.22 177.75 1rck n PRO 51 N 0.46 1.98 -3.97 0.24 -0.04 -1.26 -4.75 135.00 127.65 1rck n PRO 51 Ca -0.17 -1.14 -0.09 0.00 -0.04 0.00 0.00 63.50 62.06 1rck n PRO 51 Cb 0.60 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1rck n PRO 51 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rck s VAL 52 N 0.35 0.00 -0.01 0.52 -7.23 -1.26 -5.16 120.40 107.61 1rck s VAL 52 Ca 0.60 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1rck s VAL 52 Cb 0.30 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1rck s VAL 52 CO -0.04 0.00 -0.03 -1.81 -0.31 0.00 0.00 175.10 172.91 1rck s ASP 53 N -3.03 4.87 0.04 4.85 1.01 -1.26 -5.14 116.67 118.01 1rck s ASP 53 Ca 0.21 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.41 1rck s ASP 53 Cb -0.02 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.69 1rck s ASP 53 CO 0.10 0.30 0.00 0.61 0.21 0.00 0.00 175.17 176.39 1rck n GLY 54 N 1.60 0.26 3.61 0.21 0.00 -1.26 -4.87 105.19 104.75 1rck n GLY 54 Ca -0.16 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.07 0.70 -4.00 1.61 -0.02 -1.26 -4.91 135.00 127.05 1rck n PRO 55 Ca 0.00 0.29 -0.25 0.00 -2.02 0.00 0.00 63.50 61.52 1rck n PRO 55 Cb 0.00 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 1rck n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1rck s TYR 56 N -1.65 2.18 -0.14 6.00 2.02 -1.25 -1.00 117.35 123.51 1rck s TYR 56 Ca 0.75 -0.70 -0.21 0.00 -0.37 0.00 0.00 57.07 56.53 1rck s TYR 56 Cb -0.38 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1rck s TYR 56 CO 0.48 -0.12 0.55 1.14 -1.57 0.00 0.00 175.55 176.03 1rck s GLN 57 N -4.08 0.75 0.28 -0.62 1.03 -0.74 -1.89 119.66 114.39 1rck s GLN 57 Ca 0.36 0.49 -0.13 0.00 0.04 0.00 0.00 55.36 56.13 1rck s GLN 57 Cb 0.00 0.36 -0.08 0.00 0.03 0.00 0.00 33.01 33.32 1rck s GLN 57 CO 0.21 -0.15 0.66 -1.21 -2.54 0.00 0.00 175.29 172.26 1rck s GLU 58 N -0.32 3.92 -0.29 9.60 2.02 -1.05 -2.04 118.70 130.55 1rck s GLU 58 Ca -0.05 0.51 -0.01 0.00 0.02 0.00 0.00 54.97 55.45 1rck s GLU 58 Cb -0.03 -2.52 0.18 0.00 0.10 0.00 0.00 34.13 31.86 1rck s GLU 58 CO 0.03 0.22 0.56 0.12 0.02 0.00 0.00 175.26 176.21 1rck s PHE 59 N -1.91 -1.48 0.15 1.61 5.36 -0.77 -4.10 117.98 116.84 1rck s PHE 59 Ca 0.51 1.50 -0.30 0.00 -0.96 0.00 0.00 56.93 57.69 1rck s PHE 59 Cb -0.11 0.45 -0.07 0.00 -0.34 0.00 0.00 43.02 42.95 1rck s PHE 59 CO 0.19 -0.87 0.96 -1.25 -1.46 0.00 0.00 175.22 172.79 1rck s PRO 60 N 2.80 4.74 0.58 10.12 0.04 -1.26 -1.39 135.00 150.63 1rck s PRO 60 Ca 0.19 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1rck s PRO 60 Cb -0.15 -3.35 0.08 0.00 0.04 0.00 0.00 34.50 31.13 1rck s PRO 60 CO -0.21 0.29 0.80 -1.50 0.04 0.00 0.00 177.00 176.43 1rck s ILE 61 N -0.32 2.25 0.00 0.56 2.07 -0.89 -4.62 121.20 120.25 1rck s ILE 61 Ca 0.45 -0.93 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1rck s ILE 61 Cb -0.24 -2.33 0.00 0.00 0.13 0.00 0.00 42.46 40.02 1rck s ILE 61 CO 0.31 0.00 0.00 1.17 -1.91 0.00 0.00 174.94 174.51 1rck n LYS 62 N -2.30 0.00 -0.90 3.50 3.00 -1.26 -4.73 118.16 115.48 1rck n LYS 62 Ca 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.30 1rck n LYS 62 Cb 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.53 1rck n LYS 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rck n SER 63 N -1.30 5.08 -1.40 3.14 2.88 -1.26 -4.43 113.62 116.34 1rck n SER 63 Ca 0.00 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 1rck n SER 63 Cb 0.00 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 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 2.84 -0.05 3.15 0.46 0.00 -1.26 -5.10 105.19 105.24 1rck n GLY 64 Ca 0.43 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1rck n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 65 N -2.14 -0.99 -0.04 -0.02 0.00 -1.26 -5.14 107.32 97.73 1rck s GLY 65 Ca 0.00 1.75 -0.30 0.00 0.00 0.00 0.00 44.72 46.17 1rck s GLY 65 CO 0.00 3.78 1.68 0.14 0.00 0.00 0.00 173.10 178.70 1rck s VAL 66 N 2.89 3.50 0.10 1.40 1.01 -1.26 -4.47 120.40 123.58 1rck s VAL 66 Ca 0.15 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1rck s VAL 66 Cb -0.08 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1rck s VAL 66 CO -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 174.83 1rck n TYR 67 N 7.07 -3.96 0.00 5.22 9.36 -1.26 -5.06 117.16 128.53 1rck n TYR 67 Ca 0.17 2.37 0.00 0.00 3.32 0.00 0.00 57.90 63.77 1rck n TYR 67 Cb 0.42 -3.42 0.00 0.00 -0.63 0.00 0.00 39.34 35.71 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1rck n THR 68 N 1.51 0.00 0.00 2.97 -2.24 -1.26 -5.02 114.28 110.24 1rck n THR 68 Ca 0.00 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1rck n THR 68 Cb 0.00 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1rck n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rck n GLY 69 N 1.82 1.42 0.00 3.38 0.00 -1.19 -4.96 105.19 105.67 1rck n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 1.08 2.28 -0.02 0.00 -1.26 -4.84 105.19 100.43 1rck n GLY 70 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1rck n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 71 N 0.00 -0.23 -4.61 1.61 7.64 -1.26 -5.06 113.62 111.71 1rck n SER 71 Ca 0.00 -2.64 -0.43 0.00 1.01 0.00 0.00 58.87 56.81 1rck n SER 71 Cb 0.00 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rck s PRO 72 N -0.72 3.59 0.00 1.43 0.04 -1.26 -4.87 135.00 133.20 1rck s PRO 72 Ca 0.34 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1rck s PRO 72 Cb 0.14 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1rck s PRO 72 CO -0.14 -1.54 0.08 0.41 0.04 0.00 0.00 177.00 175.85 1rck n GLY 73 N 5.01 0.59 2.12 0.56 0.00 -1.26 -5.00 105.19 107.22 1rck n GLY 73 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.78 1.49 -2.18 4.61 0.00 -1.26 -4.80 120.51 117.60 1rck n ALA 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1rck n ALA 74 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1rck n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rck s ASP 75 N -3.47 6.67 -0.10 0.00 1.11 -1.26 -2.46 116.67 117.15 1rck s ASP 75 Ca 0.00 1.86 -0.08 0.00 0.18 0.00 0.00 52.55 54.51 1rck s ASP 75 Cb 0.00 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.49 1rck s ASP 75 CO 0.00 -0.98 0.26 0.00 1.18 0.00 0.00 175.17 175.63 1rck s ARG 76 N 4.07 0.28 0.15 8.23 1.70 -0.75 -2.10 118.95 130.53 1rck s ARG 76 Ca 0.67 0.42 -0.06 0.00 -0.47 0.00 0.00 55.73 56.28 1rck s ARG 76 Cb -0.27 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.13 1rck s ARG 76 CO 0.25 -0.07 0.40 0.14 -1.08 0.00 0.00 175.30 174.94 1rck s VAL 77 N 0.46 5.12 -0.10 4.99 -7.23 -0.48 -1.93 120.40 121.22 1rck s VAL 77 Ca -0.03 0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 1rck s VAL 77 Cb -0.04 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.31 1rck s VAL 77 CO -0.02 0.06 0.00 -0.69 -0.31 0.00 0.00 175.10 174.14 1rck s VAL 78 N -1.65 0.47 0.44 1.32 1.01 -0.84 -1.85 120.40 119.30 1rck s VAL 78 Ca 0.41 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.37 1rck s VAL 78 Cb -0.12 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.62 1rck s VAL 78 CO 0.23 0.16 0.51 2.30 0.00 0.00 0.00 175.10 178.30 1rck n ILE 79 N 5.11 0.00 -3.92 2.22 -5.35 -0.86 -2.35 119.36 114.21 1rck n ILE 79 Ca -0.08 -1.56 -0.29 0.00 -0.27 0.00 0.00 62.75 60.55 1rck n ILE 79 Cb 0.49 -0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 37.91 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 -3.67 6.36 0.00 7.28 0.01 0.38 -1.80 114.94 123.50 1rck s ASN 80 Ca 0.39 0.25 0.05 0.00 -0.71 0.00 0.00 52.86 52.83 1rck s ASN 80 Cb -0.03 -1.95 0.22 0.00 0.41 0.00 0.00 41.25 39.90 1rck s ASN 80 CO 0.25 0.12 1.04 1.07 -1.51 0.00 0.00 177.10 178.06 1rck n THR 81 N -0.05 1.22 0.00 1.60 5.66 -0.17 -3.54 114.28 119.01 1rck n THR 81 Ca -0.06 0.31 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 1rck n THR 81 Cb 0.52 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.07 1rck n THR 81 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1rck n ASN 82 N -1.36 0.00 0.00 1.09 5.15 -1.26 -4.87 115.26 114.01 1rck n ASN 82 Ca 0.02 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1rck n ASN 82 Cb 0.04 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rck s GLU 84 N 0.00 4.06 -0.04 0.00 2.12 -1.26 -4.84 118.70 118.75 1rck s GLU 84 Ca 0.00 1.10 -0.15 0.00 0.36 0.00 0.00 54.97 56.28 1rck s GLU 84 Cb 0.00 -2.15 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 1rck s GLU 84 CO 0.00 -0.18 0.40 -0.47 -0.54 0.00 0.00 175.26 174.47 1rck s TYR 85 N -2.30 3.67 -0.18 5.30 5.04 -1.26 -0.47 117.35 127.14 1rck s TYR 85 Ca 0.62 0.93 -0.15 0.00 -2.44 0.00 0.00 57.07 56.03 1rck s TYR 85 Cb -0.10 -2.32 -0.07 0.00 0.35 0.00 0.00 41.96 39.81 1rck s TYR 85 CO 0.20 0.54 -0.24 0.00 -1.34 0.00 0.00 175.55 174.71 1rck n ALA 86 N 2.27 0.78 0.00 3.97 0.00 -1.03 -4.85 120.51 121.65 1rck n ALA 86 Ca -0.13 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1rck n ALA 86 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.48 1.46 3.74 0.00 0.00 -0.99 -4.77 105.19 106.10 1rck n GLY 87 Ca -0.19 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 3.40 0.04 4.61 0.00 -1.26 -2.00 121.76 124.55 1rck s ALA 88 Ca 0.00 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1rck s ALA 88 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1rck s ALA 88 CO 0.00 0.45 -0.03 0.96 0.00 0.00 0.00 175.76 177.14 1rck s ILE 89 N -1.82 0.22 0.07 0.00 -4.36 -0.81 -2.57 121.20 111.93 1rck s ILE 89 Ca 0.30 -1.44 -0.19 0.00 -0.26 0.00 0.00 60.65 59.05 1rck s ILE 89 Cb -0.09 -1.01 0.04 0.00 1.25 0.00 0.00 42.46 42.65 1rck s ILE 89 CO 0.21 -0.77 0.45 0.28 0.24 0.00 0.00 174.94 175.35 1rck s THR 90 N -2.86 0.05 -0.12 8.37 -1.32 -0.52 -1.80 115.64 117.44 1rck s THR 90 Ca -0.02 -0.40 -0.28 0.00 -1.21 0.00 0.00 61.69 59.78 1rck s THR 90 Cb 0.00 -1.02 -0.25 0.00 -1.51 0.00 0.00 72.50 69.72 1rck s THR 90 CO -0.06 -0.22 0.86 0.45 -2.21 0.00 0.00 174.62 173.45 1rck h HIS 91 N 2.71 -0.00 -0.88 9.09 3.86 -1.73 -0.79 115.15 127.41 1rck h HIS 91 Ca -0.32 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.83 1rck h HIS 91 Cb 1.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 1rck h HIS 91 CO 0.36 0.89 -0.05 -2.37 0.86 0.00 0.00 177.93 177.62 1rck n THR 92 N -4.66 0.00 -1.03 2.45 5.66 -1.26 -1.52 114.28 113.92 1rck n THR 92 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1rck n THR 92 Cb 0.43 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rck n GLY 93 N 0.08 0.48 0.00 1.09 0.00 -1.26 -4.99 105.19 100.59 1rck n GLY 93 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1rck n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 94 N -0.53 0.00 -3.02 4.61 0.00 -0.57 -4.94 120.51 116.07 1rck n ALA 94 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1rck n ALA 94 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1rck n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rck n SER 95 N -0.20 -0.58 0.00 0.00 7.64 -1.26 -5.05 113.62 114.16 1rck n SER 95 Ca 0.00 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1rck n SER 95 Cb 0.00 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 96 N 0.69 1.42 0.11 0.23 0.00 -1.26 -2.92 105.19 103.46 1rck n GLY 96 Ca 0.17 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1rck n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rck h ASN 97 N 0.00 0.00 -1.86 1.61 -0.73 -1.98 -3.47 115.58 109.16 1rck h ASN 97 Ca 0.00 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.52 1rck h ASN 97 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 38.32 38.65 1rck h ASN 97 CO 0.00 0.68 0.56 0.59 -0.37 0.00 0.00 177.43 178.88 1rck n ASN 98 N -3.29 2.08 -4.69 1.15 3.02 -1.15 -4.95 115.26 107.42 1rck n ASN 98 Ca 0.01 1.11 -0.35 0.00 -0.03 0.00 0.00 54.58 55.32 1rck n ASN 98 Cb 0.80 -1.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.62 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 0.62 3.30 0.34 3.10 0.08 -1.26 -4.33 117.98 119.82 1rck s PHE 99 Ca 0.83 0.19 0.08 0.00 0.12 0.00 0.00 56.93 58.15 1rck s PHE 99 Cb -0.87 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 1rck s PHE 99 CO 0.44 0.33 0.15 0.14 -0.10 0.00 0.00 175.22 176.18 1rck s VAL 100 N -0.16 3.10 0.15 -0.44 -7.23 -0.30 -4.92 120.40 110.60 1rck s VAL 100 Ca 0.07 -1.67 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 1rck s VAL 100 Cb -0.12 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.75 1rck s VAL 100 CO 0.01 -0.19 0.85 -0.83 -0.31 0.00 0.00 175.10 174.63 1rck s GLY 101 N -3.85 2.96 0.23 2.32 0.00 -1.26 -1.44 107.32 106.28 1rck s GLY 101 Ca 0.38 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 1rck s GLY 101 CO 0.23 1.12 0.32 0.00 0.00 0.00 0.00 173.10 174.77 1rck s SER 103 N -2.19 6.82 -0.03 0.00 0.01 -1.00 -2.82 113.70 114.48 1rck s SER 103 Ca 0.19 2.62 -0.00 0.00 1.31 0.00 0.00 55.95 60.07 1rck s SER 103 Cb -0.01 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1rck s SER 103 CO 0.13 -0.52 0.01 0.61 0.41 0.00 0.00 173.24 173.88 1rck n GLY 104 N 1.12 0.53 3.39 3.44 0.00 -1.26 -4.74 105.19 107.67 1rck n GLY 104 Ca 0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.33 -0.79 0.00 2.61 2.01 -1.13 -4.89 115.64 111.13 1rck s THR 105 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1rck s THR 105 Cb -0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1rck s THR 105 CO 0.00 0.04 0.00 -3.20 -0.69 0.00 0.00 174.62 170.77