#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 -1.70 -3.69 -0.43 0.00 -1.26 -4.82 120.51 108.60 1rck n ALA 3 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 1rck n ALA 3 Cb 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 1rck n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rck s THR 4 N -2.53 -0.25 -0.52 0.00 -1.32 -0.97 -4.62 115.64 105.43 1rck s THR 4 Ca 0.00 0.23 -0.15 0.00 -1.21 0.00 0.00 61.69 60.56 1rck s THR 4 Cb 0.00 -0.41 0.12 0.00 -1.51 0.00 0.00 72.50 70.69 1rck s THR 4 CO 0.00 0.10 0.46 -0.89 -2.21 0.00 0.00 174.62 172.08 1rck s THR 5 N 1.94 5.12 -1.30 5.08 2.01 -1.26 -1.57 115.64 125.65 1rck s THR 5 Ca -0.03 -1.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.41 1rck s THR 5 Cb -0.11 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.28 1rck s THR 5 CO -0.08 -0.80 1.79 0.00 -0.69 0.00 0.00 174.62 174.84 1rck n GLY 7 N 3.95 1.65 0.12 0.00 0.00 -1.26 -2.94 105.19 106.71 1rck n GLY 7 Ca 0.43 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1rck n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rck h SER 8 N 0.00 0.27 -2.24 1.61 0.02 -1.89 -3.46 113.55 107.86 1rck h SER 8 Ca 0.00 -0.78 -0.55 0.00 -0.84 0.00 0.00 61.79 59.61 1rck h SER 8 Cb 0.00 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1rck h SER 8 CO 0.00 1.63 1.40 0.42 -1.14 0.00 0.00 176.83 179.14 1rck s THR 9 N -2.46 3.27 -0.56 -2.27 -4.23 -1.15 -4.96 115.64 103.28 1rck s THR 9 Ca -0.23 0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 60.32 1rck s THR 9 Cb 0.05 -3.42 0.06 0.00 1.34 0.00 0.00 72.50 70.53 1rck s THR 9 CO 0.71 -0.32 0.77 0.21 -0.54 0.00 0.00 174.62 175.46 1rck s ASN 10 N 7.83 6.23 0.05 3.99 3.84 -1.26 -0.69 114.94 134.93 1rck s ASN 10 Ca 0.86 -0.88 0.00 0.00 0.21 0.00 0.00 52.86 53.05 1rck s ASN 10 Cb -0.23 -2.35 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1rck s ASN 10 CO 0.31 -1.10 0.14 -0.31 -2.79 0.00 0.00 177.10 173.35 1rck s TYR 11 N 3.19 3.39 0.52 0.43 2.02 -0.61 -4.99 117.35 121.29 1rck s TYR 11 Ca 0.19 0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.99 1rck s TYR 11 Cb -0.18 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1rck s TYR 11 CO 0.12 0.57 0.90 -1.12 -1.57 0.00 0.00 175.55 174.46 1rck s SER 12 N -2.26 6.39 0.61 2.29 0.01 -1.26 -2.29 113.70 117.18 1rck s SER 12 Ca 0.30 1.27 0.40 0.00 1.31 0.00 0.00 55.95 59.24 1rck s SER 12 Cb -0.13 -2.39 2.08 0.00 0.21 0.00 0.00 66.02 65.79 1rck s SER 12 CO 0.22 -0.63 2.23 0.00 0.41 0.00 0.00 173.24 175.47 1rck h ALA 13 N 0.44 1.00 -0.13 1.44 0.00 -1.89 0.04 119.26 120.16 1rck h ALA 13 Ca -0.46 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1rck h ALA 13 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1rck h ALA 13 CO 0.62 0.00 -0.61 0.77 0.00 0.00 0.00 179.25 180.03 1rck h SER 14 N 0.00 0.51 0.14 0.00 0.02 -1.98 -2.43 113.55 109.81 1rck h SER 14 Ca 0.00 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1rck h SER 14 Cb 0.13 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1rck h SER 14 CO 0.00 1.00 -0.07 1.56 -1.14 0.00 0.00 176.83 178.18 1rck h GLN 15 N 0.33 -0.19 -0.88 3.45 7.50 -1.33 -0.20 115.11 123.81 1rck h GLN 15 Ca -0.01 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.17 1rck h GLN 15 Cb 1.15 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.68 1rck h GLN 15 CO 0.11 0.27 0.58 -0.24 -1.50 0.00 0.00 178.83 178.05 1rck h VAL 16 N -0.82 1.22 -0.28 -0.54 3.04 -1.60 -0.59 116.25 116.68 1rck h VAL 16 Ca -0.02 -0.41 -0.06 0.00 -1.01 0.00 0.00 66.70 65.20 1rck h VAL 16 Cb 0.54 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1rck h VAL 16 CO 0.03 0.22 -0.08 -0.09 -1.01 0.00 0.00 177.57 176.64 1rck h ARG 17 N 1.19 0.54 -0.12 4.17 2.43 -1.51 -1.12 114.38 119.96 1rck h ARG 17 Ca 0.32 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1rck h ARG 17 Cb -0.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1rck h ARG 17 CO -0.07 0.76 0.05 0.00 -1.51 0.00 0.00 179.97 179.19 1rck h ALA 18 N 0.77 0.16 -0.17 2.80 0.00 -0.76 0.66 119.26 122.72 1rck h ALA 18 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1rck h ALA 18 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1rck h ALA 18 CO 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 179.25 178.98 1rck h ALA 19 N 0.89 1.60 0.07 0.00 0.00 -1.14 -0.92 119.26 119.76 1rck h ALA 19 Ca 0.04 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 19 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rck h ALA 19 CO -0.00 0.29 -1.10 0.00 0.00 0.00 0.00 179.25 178.43 1rck h ALA 20 N 1.71 0.19 0.00 0.00 0.00 -0.89 -1.30 119.26 118.97 1rck h ALA 20 Ca 0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1rck h ALA 20 Cb 0.25 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rck h ALA 20 CO 0.01 0.81 -0.02 -0.97 0.00 0.00 0.00 179.25 179.09 1rck h ASN 21 N 0.21 0.00 0.00 0.00 -1.24 -0.47 -0.28 115.58 113.80 1rck h ASN 21 Ca -0.13 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 1rck h ASN 21 Cb 1.77 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.82 1rck h ASN 21 CO 0.20 0.02 -0.27 0.00 -1.29 0.00 0.00 177.43 176.08 1rck h ALA 22 N 1.98 0.05 -0.99 1.57 0.00 -1.02 -2.83 119.26 118.02 1rck h ALA 22 Ca -0.00 -0.50 0.18 0.00 0.00 0.00 0.00 54.91 54.59 1rck h ALA 22 Cb 0.48 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1rck h ALA 22 CO 0.00 0.17 0.59 0.00 0.00 0.00 0.00 179.25 180.02 1rck h ALA 23 N -0.45 1.61 0.29 0.00 0.00 -1.14 -0.30 119.26 119.27 1rck h ALA 23 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rck h ALA 23 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1rck h ALA 23 CO -0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 179.25 178.97 1rck h GLN 25 N -0.50 0.06 -0.13 0.00 1.08 -0.98 -2.56 115.11 112.09 1rck h GLN 25 Ca -0.02 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1rck h GLN 25 Cb 0.43 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1rck h GLN 25 CO 0.00 0.22 -0.19 1.88 -0.95 0.00 0.00 178.83 179.79 1rck h TYR 26 N -0.11 0.43 0.00 2.96 0.05 -1.12 0.53 116.97 119.71 1rck h TYR 26 Ca 0.01 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1rck h TYR 26 Cb 0.18 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1rck h TYR 26 CO -0.01 0.80 0.00 -0.92 -1.05 0.00 0.00 178.16 176.98 1rck h TYR 27 N -0.06 0.00 0.00 4.88 3.20 -1.13 -3.37 116.97 120.49 1rck h TYR 27 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1rck h TYR 27 Cb 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1rck h TYR 27 CO 0.10 0.00 0.00 1.04 -1.64 0.00 0.00 178.16 177.66 1rck n GLN 28 N -3.02 0.00 0.00 1.82 6.02 -0.96 -5.03 117.38 116.20 1rck n GLN 28 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1rck n GLN 28 Cb 0.30 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.20 1rck n GLN 28 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1rck n ASN 29 N -1.30 0.00 -3.40 1.08 0.23 -1.11 -5.10 115.26 105.67 1rck n ASN 29 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.85 1rck n ASN 29 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 1rck n ASN 29 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1rck s ASP 30 N 0.00 1.71 0.00 0.53 1.01 0.16 -5.01 116.67 115.07 1rck s ASP 30 Ca 0.00 -1.51 0.00 0.00 0.71 0.00 0.00 52.55 51.75 1rck s ASP 30 Cb 0.00 0.33 0.00 0.00 1.01 0.00 0.00 42.92 44.26 1rck s ASP 30 CO 0.00 -0.30 0.00 0.47 0.21 0.00 0.00 175.17 175.55 1rck n ASP 31 N 4.47 -1.38 -4.43 0.27 8.00 -1.26 -3.40 116.55 118.82 1rck n ASP 31 Ca 0.08 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.13 1rck n ASP 31 Cb 0.44 -0.69 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 1rck n ASP 31 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1rck s THR 32 N 0.00 5.10 0.61 -3.53 -1.32 -1.26 -4.46 115.64 110.78 1rck s THR 32 Ca 0.00 -2.30 -0.18 0.00 -1.21 0.00 0.00 61.69 58.00 1rck s THR 32 Cb 0.00 -4.77 -0.05 0.00 -1.51 0.00 0.00 72.50 66.17 1rck s THR 32 CO 0.00 -1.46 0.88 0.00 -2.21 0.00 0.00 174.62 171.83 1rck n ALA 33 N 5.45 -0.11 -0.18 11.08 0.00 -1.26 -4.93 120.51 130.55 1rck n ALA 33 Ca 0.28 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 1rck n ALA 33 Cb 0.45 -2.06 0.12 0.00 0.00 0.00 0.00 19.45 17.96 1rck n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rck h GLY 34 N 0.33 1.04 -4.48 0.00 0.00 -1.95 -3.49 103.07 94.51 1rck h GLY 34 Ca -0.48 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.20 1rck h GLY 34 CO 0.49 0.61 -1.06 -1.26 0.00 0.00 0.00 176.54 175.32 1rck n SER 35 N -4.23 -2.32 0.15 0.19 2.88 -1.26 -4.98 113.62 104.05 1rck n SER 35 Ca 0.04 1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 58.46 1rck n SER 35 Cb 0.27 -4.15 -0.07 0.00 -0.75 0.00 0.00 64.21 59.51 1rck n SER 35 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1rck h SER 36 N 2.78 -0.36 0.00 -3.46 0.02 -2.02 -3.43 113.55 107.08 1rck h SER 36 Ca -0.31 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1rck h SER 36 Cb 0.69 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1rck h SER 36 CO 0.03 0.06 -0.00 1.07 -1.14 0.00 0.00 176.83 176.84 1rck n THR 37 N -5.10 0.00 -3.93 -2.27 5.66 -1.26 -5.13 114.28 102.24 1rck n THR 37 Ca -0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 1rck n THR 37 Cb 0.27 0.01 -0.11 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.00 0.16 -0.08 1.09 1.51 -1.26 -3.95 117.35 114.81 1rck s TYR 38 Ca 0.00 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1rck s TYR 38 Cb 0.00 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1rck s TYR 38 CO 0.00 -0.23 1.32 -1.25 -1.11 0.00 0.00 175.55 174.28 1rck s PRO 39 N -1.40 4.27 0.15 -1.71 0.04 -1.26 -4.45 135.00 130.65 1rck s PRO 39 Ca -0.15 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1rck s PRO 39 Cb -0.09 -3.68 -0.07 0.00 0.04 0.00 0.00 34.50 30.70 1rck s PRO 39 CO 0.00 -0.61 0.83 -1.01 0.04 0.00 0.00 177.00 176.25 1rck s HIS 40 N 2.92 3.88 0.16 0.56 3.76 -1.25 -4.76 115.29 120.56 1rck s HIS 40 Ca 0.59 1.69 -0.30 0.00 -0.15 0.00 0.00 55.06 56.88 1rck s HIS 40 Cb -0.26 -2.86 -0.08 0.00 1.11 0.00 0.00 32.58 30.49 1rck s HIS 40 CO 0.21 0.42 1.29 0.99 -0.85 0.00 0.00 174.74 176.80 1rck s THR 41 N -0.81 3.41 -1.52 1.30 2.01 -1.26 -1.97 115.64 116.79 1rck s THR 41 Ca 0.39 1.11 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 1rck s THR 41 Cb -0.23 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1rck s THR 41 CO 0.27 0.14 2.68 0.00 -0.69 0.00 0.00 174.62 177.03 1rck n TYR 42 N 3.01 2.67 0.00 4.92 4.19 -1.05 -4.95 117.16 125.95 1rck n TYR 42 Ca 0.07 -2.97 0.00 0.00 3.31 0.00 0.00 57.90 58.31 1rck n TYR 42 Cb 0.44 -2.45 0.00 0.00 0.49 0.00 0.00 39.34 37.81 1rck n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1rck n ASN 43 N 4.43 0.00 -4.55 2.98 4.13 -1.26 -4.68 115.26 116.32 1rck n ASN 43 Ca 0.69 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.61 1rck n ASN 43 Cb 0.27 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.40 1rck n ASN 43 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1rck s ASN 44 N -2.20 4.43 0.14 6.41 4.22 -1.26 -5.03 114.94 121.65 1rck s ASN 44 Ca 0.00 -0.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.63 1rck s ASN 44 Cb 0.00 -1.05 0.00 0.00 1.28 0.00 0.00 41.25 41.48 1rck s ASN 44 CO 0.00 0.35 0.00 -1.22 -2.04 0.00 0.00 177.10 174.19 1rck n TYR 45 N 2.21 -1.49 -2.73 1.54 4.01 -1.26 -4.62 117.16 114.82 1rck n TYR 45 Ca -0.18 0.74 -0.42 0.00 -0.16 0.00 0.00 57.90 57.88 1rck n TYR 45 Cb 0.53 -1.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.17 1rck n TYR 45 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1rck s GLU 46 N -1.56 3.23 0.24 -0.72 0.41 -1.26 -4.89 118.70 114.15 1rck s GLU 46 Ca 0.00 -0.75 -0.05 0.00 -0.41 0.00 0.00 54.97 53.76 1rck s GLU 46 Cb 0.00 -4.39 0.38 0.00 -1.78 0.00 0.00 34.13 28.35 1rck s GLU 46 CO 0.00 -1.96 1.81 0.78 -0.49 0.00 0.00 175.26 175.40 1rck h GLY 47 N 11.96 1.26 -2.98 -1.39 0.00 -1.84 -3.44 103.07 106.64 1rck h GLY 47 Ca -0.20 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 1rck h GLY 47 CO 1.23 0.14 -0.43 -0.12 0.00 0.00 0.00 176.54 177.36 1rck s PHE 48 N -6.04 0.39 0.10 5.60 5.36 -1.26 -5.07 117.98 117.07 1rck s PHE 48 Ca -0.12 -0.81 -0.30 0.00 -0.96 0.00 0.00 56.93 54.74 1rck s PHE 48 Cb 0.19 -0.16 -0.06 0.00 -0.34 0.00 0.00 43.02 42.65 1rck s PHE 48 CO 0.78 -0.58 1.08 -0.51 -1.46 0.00 0.00 175.22 174.53 1rck s ASP 49 N -2.94 7.27 0.03 6.13 1.01 -1.26 -5.06 116.67 121.86 1rck s ASP 49 Ca 0.13 1.94 -0.13 0.00 0.71 0.00 0.00 52.55 55.20 1rck s ASP 49 Cb 0.05 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1rck s ASP 49 CO -0.05 -0.27 0.28 -0.36 0.21 0.00 0.00 175.17 174.98 1rck s PHE 50 N 0.40 -0.09 0.16 4.23 0.08 -1.26 -4.88 117.98 116.62 1rck s PHE 50 Ca 0.52 -0.02 -0.15 0.00 0.12 0.00 0.00 56.93 57.39 1rck s PHE 50 Cb -0.27 0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.35 1rck s PHE 50 CO 0.31 -0.47 1.74 -1.35 -0.10 0.00 0.00 175.22 175.35 1rck h PRO 51 N 3.38 0.25 -7.51 0.24 0.11 -1.96 -3.43 132.00 123.08 1rck h PRO 51 Ca -0.31 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.31 1rck h PRO 51 Cb 1.19 -0.06 0.09 0.00 0.11 0.00 0.00 31.00 32.34 1rck h PRO 51 CO 0.45 0.17 0.38 0.14 -0.21 0.00 0.00 178.00 178.93 1rck s VAL 52 N -6.16 2.59 -0.37 3.15 -7.23 -1.26 -5.03 120.40 106.09 1rck s VAL 52 Ca -0.13 0.12 0.22 0.00 -1.81 0.00 0.00 61.98 60.37 1rck s VAL 52 Cb 0.13 -3.17 -0.26 0.00 0.56 0.00 0.00 36.38 33.64 1rck s VAL 52 CO 0.71 -0.22 0.70 0.47 -0.31 0.00 0.00 175.10 176.45 1rck n ASP 53 N -3.13 0.39 0.00 4.85 8.00 -1.26 -5.09 116.55 120.30 1rck n ASP 53 Ca 0.07 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1rck n ASP 53 Cb 0.60 1.48 0.00 0.00 -0.02 0.00 0.00 41.12 43.17 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rck n GLY 54 N 1.33 -1.78 3.71 0.44 0.00 -1.26 -4.87 105.19 102.77 1rck n GLY 54 Ca -0.01 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1rck n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rck s PRO 55 N 0.00 1.51 0.17 1.61 0.04 -1.26 -4.98 135.00 132.08 1rck s PRO 55 Ca 0.00 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.39 1rck s PRO 55 Cb 0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1rck s PRO 55 CO 0.00 -2.21 -0.12 0.71 0.04 0.00 0.00 177.00 175.42 1rck s TYR 56 N -2.78 1.41 -0.02 0.56 1.51 -1.26 -2.02 117.35 114.75 1rck s TYR 56 Ca 0.64 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1rck s TYR 56 Cb -0.20 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1rck s TYR 56 CO 0.57 0.17 -0.08 -1.14 -1.11 0.00 0.00 175.55 173.97 1rck s GLN 57 N -3.70 0.87 0.65 -0.62 2.00 -0.52 -2.53 119.66 115.81 1rck s GLN 57 Ca 0.18 -0.27 -0.11 0.00 -2.00 0.00 0.00 55.36 53.17 1rck s GLN 57 Cb 0.01 -0.82 -0.01 0.00 0.80 0.00 0.00 33.01 32.99 1rck s GLN 57 CO 0.03 0.10 1.04 -1.21 -0.50 0.00 0.00 175.29 174.75 1rck s GLU 58 N 0.20 3.20 -0.30 1.67 2.02 -0.83 -2.20 118.70 122.46 1rck s GLU 58 Ca -0.03 0.54 -0.09 0.00 0.02 0.00 0.00 54.97 55.42 1rck s GLU 58 Cb -0.08 -2.08 0.14 0.00 0.10 0.00 0.00 34.13 32.22 1rck s GLU 58 CO 0.00 -0.78 0.67 0.12 0.02 0.00 0.00 175.26 175.28 1rck s PHE 59 N -3.24 -1.35 0.30 1.61 2.19 -0.51 -3.93 117.98 113.05 1rck s PHE 59 Ca 0.56 2.13 -0.21 0.00 0.33 0.00 0.00 56.93 59.73 1rck s PHE 59 Cb -0.11 0.73 -0.09 0.00 -1.31 0.00 0.00 43.02 42.24 1rck s PHE 59 CO 0.52 -0.69 0.84 -1.25 1.83 0.00 0.00 175.22 176.47 1rck s PRO 60 N 2.87 4.33 0.00 10.12 0.04 -1.26 -1.18 135.00 149.92 1rck s PRO 60 Ca -0.00 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1rck s PRO 60 Cb -0.12 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1rck s PRO 60 CO -0.19 0.26 0.00 1.51 0.04 0.00 0.00 177.00 178.62 1rck n ILE 61 N 0.31 0.00 -3.83 0.56 3.06 -1.08 -4.11 119.36 114.28 1rck n ILE 61 Ca 0.01 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.19 1rck n ILE 61 Cb 0.51 -0.36 0.01 0.00 0.54 0.00 0.00 39.64 40.35 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 -0.32 1.93 -1.05 9.51 2.20 -1.25 -4.87 119.74 125.89 1rck s LYS 62 Ca 0.00 -1.19 -0.02 0.00 -0.36 0.00 0.00 55.97 54.39 1rck s LYS 62 Cb 0.00 0.57 0.31 0.00 -1.51 0.00 0.00 37.83 37.20 1rck s LYS 62 CO 0.00 -0.90 1.72 0.45 -0.36 0.00 0.00 175.35 176.26 1rck n SER 63 N -1.09 7.04 0.00 1.43 2.88 -1.26 -4.50 113.62 118.12 1rck n SER 63 Ca -0.06 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 1rck n SER 63 Cb 0.60 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.46 -1.78 0.00 0.46 0.00 -1.26 -5.13 105.19 97.93 1rck n GLY 64 Ca 0.40 0.61 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 3.79 3.89 -0.02 0.00 -1.26 -4.87 105.19 106.73 1rck n GLY 65 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1rck n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rck s VAL 66 N -2.08 4.66 -0.15 1.61 0.11 -1.26 -3.89 120.40 119.40 1rck s VAL 66 Ca 0.00 0.46 -0.38 0.00 -2.93 0.00 0.00 61.98 59.14 1rck s VAL 66 Cb 0.00 -3.82 -0.18 0.00 -1.53 0.00 0.00 36.38 30.86 1rck s VAL 66 CO 0.00 -0.93 1.12 0.00 -3.33 0.00 0.00 175.10 171.96 1rck n TYR 67 N -2.52 0.91 0.00 1.54 9.36 -1.26 -4.80 117.16 120.39 1rck n TYR 67 Ca 0.03 0.98 0.00 0.00 3.32 0.00 0.00 57.90 62.23 1rck n TYR 67 Cb 0.55 -1.91 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 1rck n TYR 67 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1rck n THR 68 N 2.09 0.00 0.00 2.97 5.66 -1.26 -5.04 114.28 118.69 1rck n THR 68 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1rck n THR 68 Cb 0.03 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1rck n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rck n GLY 69 N -1.50 1.53 0.00 1.09 0.00 -1.26 -5.10 105.19 99.94 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 2.35 1.16 3.42 -0.02 0.00 -1.26 -5.18 105.19 105.66 1rck n GLY 70 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 -0.50 0.70 1.61 1.04 -1.26 -5.17 113.70 110.12 1rck s SER 71 Ca 0.00 0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.61 1rck s SER 71 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1rck s SER 71 CO 0.00 -0.67 1.17 -2.16 0.98 0.00 0.00 173.24 172.56 1rck s PRO 72 N -2.00 2.42 0.00 4.02 0.04 -1.26 -4.92 135.00 133.30 1rck s PRO 72 Ca -0.08 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1rck s PRO 72 Cb -0.01 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1rck s PRO 72 CO 0.02 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1rck n GLY 73 N 0.08 0.00 2.21 0.56 0.00 -1.26 -5.04 105.19 101.75 1rck n GLY 73 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.21 0.00 -2.65 4.61 0.00 -1.26 -4.81 120.51 116.18 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 0.39 7.20 -0.23 0.00 1.01 -1.26 -2.58 116.67 121.20 1rck s ASP 75 Ca 0.00 1.55 -0.12 0.00 0.71 0.00 0.00 52.55 54.69 1rck s ASP 75 Cb 0.00 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.45 1rck s ASP 75 CO 0.00 -0.50 0.55 0.00 0.21 0.00 0.00 175.17 175.43 1rck s ARG 76 N 2.23 0.53 0.25 8.23 1.70 -0.70 -2.63 118.95 128.56 1rck s ARG 76 Ca 0.49 1.06 -0.18 0.00 -0.47 0.00 0.00 55.73 56.62 1rck s ARG 76 Cb -0.19 0.16 -0.08 0.00 -0.57 0.00 0.00 34.95 34.27 1rck s ARG 76 CO 0.17 -0.17 0.72 0.14 -1.08 0.00 0.00 175.30 175.08 1rck s VAL 77 N 1.76 4.61 -0.07 4.99 -7.23 -0.32 -2.57 120.40 121.57 1rck s VAL 77 Ca -0.09 1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 61.25 1rck s VAL 77 Cb -0.08 -3.79 0.03 0.00 0.56 0.00 0.00 36.38 33.10 1rck s VAL 77 CO -0.16 0.10 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.01 1rck s VAL 78 N -1.65 0.56 0.44 1.32 1.01 -1.01 -1.43 120.40 119.65 1rck s VAL 78 Ca 0.46 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.48 1rck s VAL 78 Cb -0.15 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 1rck s VAL 78 CO 0.20 0.27 0.42 0.27 0.00 0.00 0.00 175.10 176.27 1rck s ILE 79 N 1.60 2.53 0.73 2.22 -4.36 -0.94 -2.23 121.20 120.76 1rck s ILE 79 Ca 0.00 -1.31 -0.12 0.00 -0.26 0.00 0.00 60.65 58.96 1rck s ILE 79 Cb -0.13 -2.84 0.03 0.00 1.25 0.00 0.00 42.46 40.77 1rck s ILE 79 CO -0.04 0.00 1.11 0.20 0.24 0.00 0.00 174.94 176.45 1rck s ASN 80 N -4.20 5.22 0.00 4.36 -0.87 0.61 -1.44 114.94 118.62 1rck s ASN 80 Ca 0.48 1.08 0.12 0.00 -1.57 0.00 0.00 52.86 52.97 1rck s ASN 80 Cb -0.04 -1.82 0.61 0.00 -0.02 0.00 0.00 41.25 39.98 1rck s ASN 80 CO 0.28 -1.48 1.29 0.41 -2.57 0.00 0.00 177.10 175.04 1rck n THR 81 N -3.09 0.69 0.00 1.60 -1.04 -0.86 -3.55 114.28 108.04 1rck n THR 81 Ca 0.07 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1rck n THR 81 Cb 0.58 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1rck n THR 81 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1rck n ASN 82 N -1.29 0.00 0.00 8.00 2.85 -1.26 -4.96 115.26 118.60 1rck n ASN 82 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1rck n ASN 82 Cb 0.10 -0.30 0.00 0.00 1.24 0.00 0.00 39.78 40.82 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rck s GLU 84 N 0.00 4.45 -0.23 0.00 2.56 -1.26 -4.69 118.70 119.52 1rck s GLU 84 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 54.97 56.14 1rck s GLU 84 Cb 0.00 -3.51 -0.07 0.00 2.00 0.00 0.00 34.13 32.55 1rck s GLU 84 CO 0.00 -0.26 2.18 0.98 -0.56 0.00 0.00 175.26 177.60 1rck n TYR 85 N 4.66 1.92 -0.05 5.30 4.19 -1.26 -0.29 117.16 131.64 1rck n TYR 85 Ca 0.08 -0.03 -0.16 0.00 3.31 0.00 0.00 57.90 61.10 1rck n TYR 85 Cb 0.49 -2.68 -0.13 0.00 0.49 0.00 0.00 39.34 37.51 1rck n TYR 85 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1rck h ALA 86 N 13.81 0.01 0.00 2.98 0.00 -1.74 -3.47 119.26 130.84 1rck h ALA 86 Ca -0.38 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1rck h ALA 86 Cb 1.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rck h ALA 86 CO 0.97 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.79 1rck n GLY 87 N 1.61 1.62 3.68 0.00 0.00 -1.06 -4.61 105.19 106.43 1rck n GLY 87 Ca -0.13 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 3.54 0.15 4.61 0.00 -1.26 -2.39 121.76 124.41 1rck s ALA 88 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1rck s ALA 88 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1rck s ALA 88 CO 0.00 -0.27 -0.16 0.96 0.00 0.00 0.00 175.76 176.29 1rck s ILE 89 N 1.25 1.60 0.03 0.00 -4.36 -1.06 -1.90 121.20 116.76 1rck s ILE 89 Ca 0.21 -1.88 -0.23 0.00 -0.26 0.00 0.00 60.65 58.48 1rck s ILE 89 Cb -0.15 -1.75 0.05 0.00 1.25 0.00 0.00 42.46 41.87 1rck s ILE 89 CO 0.08 -0.40 0.54 0.28 0.24 0.00 0.00 174.94 175.68 1rck s THR 90 N -2.24 0.03 -0.67 8.37 -1.32 -0.60 -1.73 115.64 117.48 1rck s THR 90 Ca 0.14 -0.21 0.26 0.00 -1.21 0.00 0.00 61.69 60.67 1rck s THR 90 Cb -0.04 -0.96 0.29 0.00 -1.51 0.00 0.00 72.50 70.27 1rck s THR 90 CO 0.05 -0.11 1.76 0.45 -2.21 0.00 0.00 174.62 174.55 1rck h HIS 91 N 2.83 0.00 -1.62 9.09 -0.00 -1.68 -1.57 115.15 122.20 1rck h HIS 91 Ca -0.30 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.55 1rck h HIS 91 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1rck h HIS 91 CO 0.37 0.00 1.59 2.41 -0.00 0.00 0.00 177.93 182.29 1rck n THR 92 N -2.36 0.06 -0.81 2.45 -1.04 -1.26 -2.02 114.28 109.30 1rck n THR 92 Ca 0.05 -0.63 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1rck n THR 92 Cb 0.42 -2.56 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 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 5.99 0.69 1.69 3.41 0.00 -1.26 -4.63 105.19 111.09 1rck n GLY 93 Ca 0.36 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.58 0.04 -0.10 4.61 0.00 -0.86 -4.80 120.51 118.82 1rck n ALA 94 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 53.44 52.48 1rck n ALA 94 Cb 0.23 0.72 0.01 0.00 0.00 0.00 0.00 19.45 20.42 1rck n ALA 94 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rck h SER 95 N 1.03 0.15 0.00 0.00 0.02 -1.85 -3.48 113.55 109.42 1rck h SER 95 Ca -0.13 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1rck h SER 95 Cb 0.61 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1rck h SER 95 CO 0.18 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 1rck n GLY 96 N -1.21 -1.50 0.08 -3.77 0.00 -1.26 -4.91 105.19 92.61 1rck n GLY 96 Ca 0.01 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.87 1.61 7.08 -1.93 -3.47 115.58 115.00 1rck h ASN 97 Ca 0.00 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.70 1rck h ASN 97 Cb 0.00 0.00 0.21 0.00 -2.08 0.00 0.00 38.32 36.45 1rck h ASN 97 CO 0.00 0.86 -0.11 -3.20 -2.08 0.00 0.00 177.43 172.90 1rck n ASN 98 N -3.10 -0.69 -4.62 6.14 5.15 -1.26 -4.92 115.26 111.96 1rck n ASN 98 Ca -0.09 0.35 -0.24 0.00 -0.60 0.00 0.00 54.58 54.00 1rck n ASN 98 Cb 0.94 -1.36 -0.08 0.00 -0.53 0.00 0.00 39.78 38.76 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1rck s PHE 99 N -2.53 2.59 0.14 1.20 0.08 -1.26 -4.31 117.98 113.89 1rck s PHE 99 Ca 0.63 -0.30 -0.08 0.00 0.12 0.00 0.00 56.93 57.30 1rck s PHE 99 Cb -0.22 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1rck s PHE 99 CO 0.62 0.59 0.23 0.14 -0.10 0.00 0.00 175.22 176.69 1rck s VAL 100 N -2.41 0.09 0.39 -0.44 -7.23 -0.59 -4.95 120.40 105.26 1rck s VAL 100 Ca 0.32 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 59.00 1rck s VAL 100 Cb -0.04 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1rck s VAL 100 CO 0.19 -0.41 0.71 -0.83 -0.31 0.00 0.00 175.10 174.45 1rck s GLY 101 N -2.96 1.76 0.07 2.32 0.00 -1.26 -1.56 107.32 105.69 1rck s GLY 101 Ca 0.15 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1rck s GLY 101 CO -0.02 -0.27 0.08 0.00 0.00 0.00 0.00 173.10 172.89 1rck n SER 103 N -2.60 4.97 0.00 0.00 7.64 -1.13 -2.53 113.62 119.96 1rck n SER 103 Ca 0.01 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1rck n SER 103 Cb 0.07 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.58 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 104 N 4.92 0.25 3.68 0.23 0.00 -1.26 -4.04 105.19 108.96 1rck n GLY 104 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 4.68 0.00 2.61 2.01 -1.05 -4.93 115.64 118.96 1rck s THR 105 Ca 0.00 1.97 0.00 0.00 0.31 0.00 0.00 61.69 63.97 1rck s THR 105 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1rck s THR 105 CO 0.00 -0.06 0.00 0.59 -0.69 0.00 0.00 174.62 174.46