#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 -2.36 -2.52 -0.43 0.00 -1.26 -4.76 120.51 109.19 1rck n ALA 3 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 1rck n ALA 3 Cb 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.57 2.92 -0.22 0.00 -1.32 -0.63 -4.85 115.64 108.99 1rck s THR 4 Ca 0.04 -1.67 0.01 0.00 -1.21 0.00 0.00 61.69 58.86 1rck s THR 4 Cb -0.01 -2.41 0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1rck s THR 4 CO 0.37 -0.04 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.71 1rck s THR 5 N -1.51 2.28 -1.19 5.08 2.01 -1.26 -1.38 115.64 119.67 1rck s THR 5 Ca 0.22 -1.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1rck s THR 5 Cb -0.09 -2.11 0.15 0.00 0.01 0.00 0.00 72.50 70.46 1rck s THR 5 CO 0.12 0.32 2.33 0.00 -0.69 0.00 0.00 174.62 176.71 1rck n GLY 7 N 1.33 1.67 2.04 0.00 0.00 -1.26 -3.35 105.19 105.63 1rck n GLY 7 Ca 0.59 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 46.59 1rck n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 8 N 3.51 5.16 -3.82 1.61 7.64 -1.26 -4.97 113.62 121.50 1rck n SER 8 Ca 0.00 -3.75 -0.11 0.00 1.01 0.00 0.00 58.87 56.01 1rck n SER 8 Cb 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.72 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rck s THR 9 N -4.62 0.09 -0.21 0.44 2.01 -1.21 -5.04 115.64 107.09 1rck s THR 9 Ca 0.52 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1rck s THR 9 Cb 0.42 -0.76 0.11 0.00 0.01 0.00 0.00 72.50 72.28 1rck s THR 9 CO 0.04 -0.41 0.36 0.21 -0.69 0.00 0.00 174.62 174.13 1rck s ASN 10 N -1.79 0.21 -0.03 3.53 3.84 -1.26 -1.62 114.94 117.82 1rck s ASN 10 Ca -0.09 0.45 0.04 0.00 0.21 0.00 0.00 52.86 53.47 1rck s ASN 10 Cb -0.03 1.07 -0.01 0.00 -0.55 0.00 0.00 41.25 41.74 1rck s ASN 10 CO -0.01 -0.28 -0.15 -0.31 -2.79 0.00 0.00 177.10 173.56 1rck s TYR 11 N 2.53 1.46 0.78 0.43 2.02 -0.48 -4.70 117.35 119.39 1rck s TYR 11 Ca 0.07 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1rck s TYR 11 Cb -0.14 -0.97 0.06 0.00 -0.40 0.00 0.00 41.96 40.51 1rck s TYR 11 CO -0.14 -0.09 1.09 0.45 -1.57 0.00 0.00 175.55 175.29 1rck s SER 12 N -0.13 4.49 0.61 2.29 0.15 -1.26 -1.60 113.70 118.24 1rck s SER 12 Ca 0.01 1.79 0.37 0.00 0.70 0.00 0.00 55.95 58.82 1rck s SER 12 Cb -0.09 -2.50 2.02 0.00 -1.71 0.00 0.00 66.02 63.75 1rck s SER 12 CO 0.01 -2.04 2.13 0.00 1.20 0.00 0.00 173.24 174.54 1rck h ALA 13 N -1.13 1.08 -0.06 5.45 0.00 -1.88 0.98 119.26 123.69 1rck h ALA 13 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1rck h ALA 13 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rck h ALA 13 CO 0.52 -0.08 -0.19 1.03 0.00 0.00 0.00 179.25 180.53 1rck h SER 14 N 0.00 0.26 0.72 0.00 0.87 -1.99 -2.80 113.55 110.61 1rck h SER 14 Ca 0.00 -0.62 -0.11 0.00 -1.23 0.00 0.00 61.79 59.84 1rck h SER 14 Cb 0.17 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1rck h SER 14 CO 0.00 0.84 -0.50 1.56 -0.53 0.00 0.00 176.83 178.19 1rck h GLN 15 N -0.29 0.00 0.09 2.24 1.08 -1.22 -0.90 115.11 116.11 1rck h GLN 15 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1rck h GLN 15 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1rck h GLN 15 CO 0.04 0.50 -0.04 0.28 -0.95 0.00 0.00 178.83 178.66 1rck h VAL 16 N 0.00 1.16 -0.62 -0.54 2.07 -1.17 -2.55 116.25 114.60 1rck h VAL 16 Ca -0.01 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1rck h VAL 16 Cb 1.00 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 1rck h VAL 16 CO 0.07 0.26 0.41 -0.09 0.02 0.00 0.00 177.57 178.23 1rck h ARG 17 N -0.63 0.71 0.20 1.57 2.43 -1.48 0.25 114.38 117.44 1rck h ARG 17 Ca -0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1rck h ARG 17 Cb 0.51 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1rck h ARG 17 CO 0.02 0.47 -0.10 0.00 -1.51 0.00 0.00 179.97 178.85 1rck h ALA 18 N 1.64 -0.27 -0.78 2.80 0.00 -1.15 0.32 119.26 121.82 1rck h ALA 18 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rck h ALA 18 Cb 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1rck h ALA 18 CO -0.07 -0.54 0.49 0.00 0.00 0.00 0.00 179.25 179.13 1rck h ALA 19 N 0.23 1.40 0.01 0.00 0.00 -0.98 -1.92 119.26 118.00 1rck h ALA 19 Ca -0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1rck h ALA 19 Cb 0.38 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rck h ALA 19 CO 0.05 0.54 -0.49 0.00 0.00 0.00 0.00 179.25 179.34 1rck h ALA 20 N 1.48 0.04 0.00 0.00 0.00 -0.91 -0.99 119.26 118.87 1rck h ALA 20 Ca 0.28 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1rck h ALA 20 Cb -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rck h ALA 20 CO -0.06 0.26 -0.03 -0.97 0.00 0.00 0.00 179.25 178.45 1rck h ASN 21 N -0.29 0.00 0.00 0.00 -1.24 -0.86 -0.08 115.58 113.11 1rck h ASN 21 Ca -0.07 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1rck h ASN 21 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1rck h ASN 21 CO 0.10 0.03 -0.00 0.00 -1.29 0.00 0.00 177.43 176.26 1rck h ALA 22 N 1.97 -0.00 -0.92 1.57 0.00 -1.26 -2.84 119.26 117.77 1rck h ALA 22 Ca -0.00 -0.25 0.26 0.00 0.00 0.00 0.00 54.91 54.92 1rck h ALA 22 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1rck h ALA 22 CO 0.00 -0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.61 1rck h ALA 23 N -0.51 1.50 0.26 0.00 0.00 -0.71 0.67 119.26 120.47 1rck h ALA 23 Ca -0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1rck h ALA 23 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rck h ALA 23 CO 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 179.25 178.65 1rck h GLN 25 N -0.43 1.11 -0.41 0.00 4.20 -0.94 -1.99 115.11 116.65 1rck h GLN 25 Ca -0.04 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1rck h GLN 25 Cb 0.33 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1rck h GLN 25 CO 0.06 0.74 -0.33 1.88 -0.67 0.00 0.00 178.83 180.50 1rck h TYR 26 N 1.15 1.13 0.04 2.96 0.05 -0.84 0.50 116.97 121.96 1rck h TYR 26 Ca 0.33 -0.32 -0.23 0.00 0.05 0.00 0.00 58.73 58.56 1rck h TYR 26 Cb -0.09 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 1rck h TYR 26 CO -0.01 1.15 -1.03 -0.92 -1.05 0.00 0.00 178.16 176.30 1rck h TYR 27 N 0.79 0.27 0.00 4.88 3.20 -0.98 -2.77 116.97 122.35 1rck h TYR 27 Ca 0.08 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1rck h TYR 27 Cb 0.93 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1rck h TYR 27 CO 0.06 1.08 -0.18 1.04 -1.64 0.00 0.00 178.16 178.53 1rck n GLN 28 N -3.53 0.00 0.24 1.82 6.02 -0.77 -4.65 117.38 116.51 1rck n GLN 28 Ca -0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.07 1rck n GLN 28 Cb 0.92 -0.40 0.54 0.00 1.02 0.00 0.00 30.24 32.32 1rck n GLN 28 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1rck h ASN 29 N 0.00 0.00 -0.73 1.08 -1.24 -1.58 -3.42 115.58 109.70 1rck h ASN 29 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.12 1rck h ASN 29 Cb 0.18 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 39.02 1rck h ASN 29 CO 0.00 0.16 -0.21 1.51 -1.29 0.00 0.00 177.43 177.60 1rck s ASP 30 N -6.06 -1.15 0.14 1.15 1.47 0.16 -5.04 116.67 107.34 1rck s ASP 30 Ca 0.00 0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.99 1rck s ASP 30 Cb 0.10 1.78 0.00 0.00 -0.34 0.00 0.00 42.92 44.46 1rck s ASP 30 CO 0.61 -0.21 0.00 0.47 0.68 0.00 0.00 175.17 176.72 1rck n ASP 31 N 5.34 -0.67 0.04 2.11 8.00 -1.26 -4.16 116.55 125.95 1rck n ASP 31 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1rck n ASP 31 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1rck n THR 32 N -0.17 0.61 -2.90 -3.53 -2.24 -1.04 -3.97 114.28 101.03 1rck n THR 32 Ca 0.00 0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1rck n THR 32 Cb 0.00 -1.16 -0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rck n ALA 33 N -3.10 -2.88 -3.00 6.98 0.00 -1.26 -4.06 120.51 113.18 1rck n ALA 33 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1rck n ALA 33 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1rck n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 34 N 1.03 3.23 3.92 0.00 0.00 -1.24 -2.22 105.19 109.93 1rck n GLY 34 Ca -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.32 0.00 0.00 1.61 7.64 -1.26 -4.26 113.62 116.03 1rck n SER 35 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rck n SER 35 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 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 0.00 0.00 -0.03 6.43 7.64 -1.26 -4.98 113.62 121.42 1rck n SER 36 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1rck n SER 36 Cb 0.00 0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 1rck n SER 36 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rck n THR 37 N -1.84 0.32 -0.21 0.44 -2.24 -1.26 -5.13 114.28 104.37 1rck n THR 37 Ca 0.00 -0.48 0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1rck n THR 37 Cb 0.00 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1rck n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rck n TYR 38 N -2.24 -0.56 -2.36 4.78 4.02 -1.25 -4.79 117.16 114.76 1rck n TYR 38 Ca -0.10 0.30 -0.34 0.00 -0.01 0.00 0.00 57.90 57.76 1rck n TYR 38 Cb 0.62 -0.81 -0.01 0.00 -0.02 0.00 0.00 39.34 39.12 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1rck s PRO 39 N -3.94 3.57 0.11 -0.72 0.04 -0.94 -4.61 135.00 128.51 1rck s PRO 39 Ca 0.00 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 1rck s PRO 39 Cb 0.00 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1rck s PRO 39 CO 0.00 -0.63 0.61 -3.38 0.04 0.00 0.00 177.00 173.64 1rck s HIS 40 N -2.02 -0.56 0.59 0.56 -3.43 -1.26 -3.61 115.29 105.56 1rck s HIS 40 Ca 0.68 0.49 -0.19 0.00 -0.80 0.00 0.00 55.06 55.24 1rck s HIS 40 Cb -0.18 0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 31.42 1rck s HIS 40 CO 0.25 -0.79 0.84 -2.37 -2.00 0.00 0.00 174.74 170.67 1rck n THR 41 N -0.09 3.25 -2.74 -5.38 5.66 -1.26 -2.17 114.28 111.55 1rck n THR 41 Ca -0.17 -0.50 -0.26 0.00 -3.05 0.00 0.00 64.05 60.07 1rck n THR 41 Cb 0.63 -1.01 0.01 0.00 -1.55 0.00 0.00 70.33 68.41 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1rck s TYR 42 N -1.56 3.42 0.31 1.09 5.04 -0.56 -4.73 117.35 120.36 1rck s TYR 42 Ca 0.73 0.60 -0.29 0.00 -2.44 0.00 0.00 57.07 55.68 1rck s TYR 42 Cb -0.43 -2.35 -0.11 0.00 0.35 0.00 0.00 41.96 39.42 1rck s TYR 42 CO 0.49 -0.37 1.44 -0.80 -1.34 0.00 0.00 175.55 174.98 1rck s ASN 43 N -4.16 6.55 0.08 4.32 -0.87 -1.26 -4.93 114.94 114.67 1rck s ASN 43 Ca 0.48 2.83 -0.23 0.00 -1.57 0.00 0.00 52.86 54.37 1rck s ASN 43 Cb -0.10 -2.65 -0.15 0.00 -0.02 0.00 0.00 41.25 38.33 1rck s ASN 43 CO 0.42 -0.74 1.71 -1.13 -2.57 0.00 0.00 177.10 174.79 1rck h ASN 44 N 3.98 0.00 -3.49 -1.22 -0.73 -2.01 -3.43 115.58 108.69 1rck h ASN 44 Ca -0.48 -0.03 -0.54 0.00 1.87 0.00 0.00 56.30 57.11 1rck h ASN 44 Cb 1.23 -0.00 0.10 0.00 0.27 0.00 0.00 38.32 39.91 1rck h ASN 44 CO 0.71 0.04 0.80 0.00 -0.37 0.00 0.00 177.43 178.60 1rck n TYR 45 N -5.07 2.83 -2.16 0.67 9.36 -1.26 -4.86 117.16 116.66 1rck n TYR 45 Ca -0.07 0.36 -0.30 0.00 3.32 0.00 0.00 57.90 61.21 1rck n TYR 45 Cb 0.05 -2.55 -0.05 0.00 -0.63 0.00 0.00 39.34 36.16 1rck n TYR 45 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1rck s GLU 46 N -1.23 2.78 0.29 2.98 0.41 -1.26 -4.75 118.70 117.92 1rck s GLU 46 Ca 0.59 -0.57 0.12 0.00 -0.41 0.00 0.00 54.97 54.70 1rck s GLU 46 Cb -0.50 -5.15 0.41 0.00 -1.78 0.00 0.00 34.13 27.11 1rck s GLU 46 CO 0.56 -3.18 1.64 0.78 -0.49 0.00 0.00 175.26 174.56 1rck h GLY 47 N 16.76 0.00 -2.79 -1.39 0.00 -1.89 -3.46 103.07 110.31 1rck h GLY 47 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 1rck h GLY 47 CO 1.26 0.00 -0.22 -1.36 0.00 0.00 0.00 176.54 176.22 1rck s PHE 48 N -3.64 0.20 -0.18 5.60 0.08 -1.26 -5.10 117.98 113.68 1rck s PHE 48 Ca -0.01 -0.56 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 1rck s PHE 48 Cb 0.13 0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.66 1rck s PHE 48 CO 0.75 -0.74 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.47 1rck s ASP 49 N -2.92 3.58 0.24 1.36 1.01 -1.26 -5.13 116.67 113.55 1rck s ASP 49 Ca 0.13 -0.53 0.12 0.00 0.71 0.00 0.00 52.55 52.97 1rck s ASP 49 Cb 0.02 -1.57 -0.05 0.00 1.01 0.00 0.00 42.92 42.34 1rck s ASP 49 CO -0.03 0.03 -0.20 -0.36 0.21 0.00 0.00 175.17 174.82 1rck s PHE 50 N 1.15 2.33 0.41 4.23 0.08 -1.26 -5.02 117.98 119.89 1rck s PHE 50 Ca 0.01 -0.33 0.15 0.00 0.12 0.00 0.00 56.93 56.88 1rck s PHE 50 Cb -0.14 -1.07 1.02 0.00 -0.57 0.00 0.00 43.02 42.26 1rck s PHE 50 CO -0.06 0.63 1.87 -1.35 -0.10 0.00 0.00 175.22 176.21 1rck h PRO 51 N 2.61 0.46 -6.13 0.24 0.11 -2.01 -3.43 132.00 123.86 1rck h PRO 51 Ca -0.43 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.12 1rck h PRO 51 Cb 1.24 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1rck h PRO 51 CO 0.55 0.30 -0.52 0.14 -0.21 0.00 0.00 178.00 178.27 1rck s VAL 52 N -5.48 3.22 0.31 3.15 -7.23 -1.26 -5.15 120.40 107.96 1rck s VAL 52 Ca -0.09 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1rck s VAL 52 Cb 0.22 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1rck s VAL 52 CO 0.78 -0.19 0.50 -0.62 -0.31 0.00 0.00 175.10 175.25 1rck s ASP 53 N -3.88 6.31 0.00 4.85 2.15 -1.26 -5.04 116.67 119.80 1rck s ASP 53 Ca 0.38 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.73 1rck s ASP 53 Cb -0.04 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1rck s ASP 53 CO 0.24 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1rck n GLY 54 N -1.61 1.19 3.56 2.66 0.00 -1.26 -4.91 105.19 104.81 1rck n GLY 54 Ca -0.06 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 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 0.44 -4.40 1.61 -0.02 -1.26 -4.94 135.00 126.43 1rck n PRO 55 Ca 0.00 0.20 -0.20 0.00 -2.02 0.00 0.00 63.50 61.48 1rck n PRO 55 Cb 0.00 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 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 -1.85 1.81 0.05 6.00 1.51 -1.26 -2.38 117.35 121.24 1rck s TYR 56 Ca 0.71 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1rck s TYR 56 Cb -0.35 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1rck s TYR 56 CO 0.53 0.06 -0.05 -0.65 -1.11 0.00 0.00 175.55 174.33 1rck s GLN 57 N -3.84 0.58 0.39 -0.62 1.11 -0.39 -1.49 119.66 115.39 1rck s GLN 57 Ca 0.32 -1.04 -0.04 0.00 0.01 0.00 0.00 55.36 54.60 1rck s GLN 57 Cb 0.06 0.02 -0.04 0.00 -1.01 0.00 0.00 33.01 32.04 1rck s GLN 57 CO 0.12 -0.05 0.66 -1.21 0.01 0.00 0.00 175.29 174.82 1rck s GLU 58 N -3.01 3.59 -0.30 2.91 2.02 -0.92 -1.12 118.70 121.87 1rck s GLU 58 Ca 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 54.97 55.05 1rck s GLU 58 Cb 0.01 -2.52 0.19 0.00 0.10 0.00 0.00 34.13 31.91 1rck s GLU 58 CO -0.05 0.02 0.60 0.12 0.02 0.00 0.00 175.26 175.97 1rck s PHE 59 N -2.41 -1.63 -0.38 1.61 5.36 -0.38 -3.77 117.98 116.39 1rck s PHE 59 Ca 0.45 1.64 -0.22 0.00 -0.96 0.00 0.00 56.93 57.84 1rck s PHE 59 Cb -0.10 0.54 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 1rck s PHE 59 CO 0.37 -0.90 0.72 -1.25 -1.46 0.00 0.00 175.22 172.70 1rck s PRO 60 N 2.86 3.64 0.78 10.12 0.04 -1.26 -0.91 135.00 150.26 1rck s PRO 60 Ca 0.20 0.10 -0.07 0.00 0.04 0.00 0.00 61.00 61.26 1rck s PRO 60 Cb -0.14 -3.84 0.12 0.00 0.04 0.00 0.00 34.50 30.68 1rck s PRO 60 CO -0.21 -0.86 1.09 -1.50 0.04 0.00 0.00 177.00 175.56 1rck s ILE 61 N 2.95 2.17 -0.02 0.56 2.07 -0.33 -4.64 121.20 123.95 1rck s ILE 61 Ca 0.28 -0.31 -0.24 0.00 -1.41 0.00 0.00 60.65 58.97 1rck s ILE 61 Cb -0.14 -2.85 0.05 0.00 0.13 0.00 0.00 42.46 39.65 1rck s ILE 61 CO 0.17 0.00 0.52 -0.54 -1.91 0.00 0.00 174.94 173.18 1rck s LYS 62 N -5.38 0.91 -1.36 3.50 -0.14 -1.26 -4.64 119.74 111.37 1rck s LYS 62 Ca 0.66 0.01 -0.06 0.00 -1.36 0.00 0.00 55.97 55.22 1rck s LYS 62 Cb -0.07 0.42 0.10 0.00 -1.68 0.00 0.00 37.83 36.59 1rck s LYS 62 CO 0.47 -0.28 2.42 -1.13 -0.76 0.00 0.00 175.35 176.06 1rck n SER 63 N 0.97 7.85 0.16 2.83 3.41 -1.26 -3.97 113.62 123.60 1rck n SER 63 Ca -0.20 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 1rck n SER 63 Cb 0.57 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 64 N 2.09 -1.76 3.68 5.00 0.00 -1.26 -5.00 105.19 107.94 1rck n GLY 64 Ca 0.63 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 47.00 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 -1.84 -0.30 0.21 -0.02 0.00 -1.25 -5.16 107.32 98.95 1rck s GLY 65 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1rck s GLY 65 CO 0.00 0.04 1.02 0.54 0.00 0.00 0.00 173.10 174.70 1rck s VAL 66 N -3.66 3.96 -0.28 1.40 0.11 -1.26 -4.35 120.40 116.32 1rck s VAL 66 Ca 0.08 1.83 -0.07 0.00 -2.93 0.00 0.00 61.98 60.89 1rck s VAL 66 Cb -0.03 -4.17 0.01 0.00 -1.53 0.00 0.00 36.38 30.66 1rck s VAL 66 CO -0.01 0.38 0.19 0.00 -3.33 0.00 0.00 175.10 172.33 1rck n TYR 67 N 1.87 -2.89 -3.71 1.54 9.36 -1.26 -5.07 117.16 116.99 1rck n TYR 67 Ca 0.00 1.25 -0.10 0.00 3.32 0.00 0.00 57.90 62.37 1rck n TYR 67 Cb 0.47 -3.15 -0.06 0.00 -0.63 0.00 0.00 39.34 35.97 1rck n TYR 67 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1rck s THR 68 N -1.68 0.09 0.00 2.97 -1.32 -1.26 -5.17 115.64 109.26 1rck s THR 68 Ca 0.09 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 1rck s THR 68 Cb -0.02 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 1rck s THR 68 CO 0.62 -0.41 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1rck n GLY 69 N -0.03 0.90 1.44 6.08 0.00 -1.26 -4.86 105.19 107.46 1rck n GLY 69 Ca -0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 5.00 0.54 3.86 -0.02 0.00 -1.26 -4.32 105.19 108.99 1rck n GLY 70 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1rck n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 71 N -1.43 -4.81 -4.76 1.61 3.41 -1.26 -4.94 113.62 101.44 1rck n SER 71 Ca -0.02 -1.14 -0.39 0.00 -0.26 0.00 0.00 58.87 57.06 1rck n SER 71 Cb 0.51 -2.59 -0.05 0.00 -0.26 0.00 0.00 64.21 61.82 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1rck s PRO 72 N -6.62 4.70 0.00 4.33 0.04 -1.26 -4.84 135.00 131.34 1rck s PRO 72 Ca 0.48 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1rck s PRO 72 Cb -0.22 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1rck s PRO 72 CO 0.91 0.34 0.00 0.41 0.04 0.00 0.00 177.00 178.71 1rck n GLY 73 N 1.16 0.00 1.47 0.56 0.00 -1.26 -5.05 105.19 102.07 1rck n GLY 73 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.04 -3.03 4.61 0.00 -1.26 -4.71 120.51 117.16 1rck n ALA 74 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.00 1rck n ALA 74 Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.58 -0.85 0.03 0.00 1.47 -1.26 -2.47 116.67 113.01 1rck s ASP 75 Ca 0.03 -0.22 -0.09 0.00 1.18 0.00 0.00 52.55 53.45 1rck s ASP 75 Cb 0.13 1.25 0.00 0.00 -0.34 0.00 0.00 42.92 43.96 1rck s ASP 75 CO -0.04 -0.12 0.17 -0.13 0.68 0.00 0.00 175.17 175.74 1rck s ARG 76 N 2.30 0.63 0.08 2.11 0.52 0.04 -1.18 118.95 123.44 1rck s ARG 76 Ca 0.17 -0.58 0.10 0.00 -0.52 0.00 0.00 55.73 54.91 1rck s ARG 76 Cb -0.02 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.68 1rck s ARG 76 CO -0.16 -0.17 -0.26 0.14 0.02 0.00 0.00 175.30 174.86 1rck s VAL 77 N -2.25 2.21 -0.21 3.52 -7.23 -0.08 -1.00 120.40 115.36 1rck s VAL 77 Ca -0.08 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1rck s VAL 77 Cb -0.03 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 35.05 1rck s VAL 77 CO -0.02 0.26 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.26 1rck s VAL 78 N -0.91 1.52 0.65 1.32 1.01 -0.16 -1.24 120.40 122.58 1rck s VAL 78 Ca 0.13 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1rck s VAL 78 Cb -0.10 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1rck s VAL 78 CO 0.04 0.07 0.95 0.27 0.00 0.00 0.00 175.10 176.43 1rck s ILE 79 N 1.43 2.82 0.62 2.22 -4.36 -0.27 -1.54 121.20 122.12 1rck s ILE 79 Ca -0.03 -0.20 -0.01 0.00 -0.26 0.00 0.00 60.65 60.15 1rck s ILE 79 Cb -0.17 -3.17 0.05 0.00 1.25 0.00 0.00 42.46 40.42 1rck s ILE 79 CO -0.07 -0.18 0.88 0.20 0.24 0.00 0.00 174.94 176.01 1rck s ASN 80 N -4.43 5.01 -0.59 4.36 -0.87 0.51 -1.27 114.94 117.66 1rck s ASN 80 Ca 0.58 0.08 -0.06 0.00 -1.57 0.00 0.00 52.86 51.89 1rck s ASN 80 Cb -0.11 -0.83 -0.07 0.00 -0.02 0.00 0.00 41.25 40.22 1rck s ASN 80 CO 0.44 -1.38 3.04 1.07 -2.57 0.00 0.00 177.10 177.71 1rck n THR 81 N -2.58 3.64 0.00 1.60 5.66 -1.00 -4.19 114.28 117.41 1rck n THR 81 Ca 0.09 -2.61 0.00 0.00 -3.05 0.00 0.00 64.05 58.47 1rck n THR 81 Cb 0.60 -1.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 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 1.96 0.00 -2.72 1.09 5.15 -1.26 -5.07 115.26 114.40 1rck n ASN 82 Ca 0.53 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.44 1rck n ASN 82 Cb 0.59 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.91 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 0.44 0.32 -0.09 0.00 2.12 -1.26 -4.99 118.70 115.24 1rck s GLU 84 Ca 0.27 0.77 -0.29 0.00 0.36 0.00 0.00 54.97 56.08 1rck s GLU 84 Cb 0.25 0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.59 1rck s GLU 84 CO -0.17 -0.18 1.83 -0.47 -0.54 0.00 0.00 175.26 175.73 1rck s TYR 85 N 1.65 1.66 -0.13 5.30 5.04 -1.26 -0.36 117.35 129.25 1rck s TYR 85 Ca -0.07 0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 54.60 1rck s TYR 85 Cb -0.10 -4.04 -0.03 0.00 0.35 0.00 0.00 41.96 38.14 1rck s TYR 85 CO -0.12 -4.22 -0.07 0.00 -1.34 0.00 0.00 175.55 169.80 1rck h ALA 86 N 10.99 0.01 -3.13 3.97 0.00 -1.56 -3.47 119.26 126.08 1rck h ALA 86 Ca -0.41 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.04 1rck h ALA 86 Cb 1.20 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1rck h ALA 86 CO 0.96 0.33 -0.07 0.41 0.00 0.00 0.00 179.25 180.89 1rck n GLY 87 N 1.66 3.19 3.59 0.00 0.00 -0.80 -4.55 105.19 108.28 1rck n GLY 87 Ca -0.06 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.04 -1.78 0.15 4.61 0.00 -1.26 -0.99 121.76 120.44 1rck s ALA 88 Ca 0.08 1.74 0.05 0.00 0.00 0.00 0.00 51.96 53.83 1rck s ALA 88 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1rck s ALA 88 CO 0.06 -0.35 -0.11 0.96 0.00 0.00 0.00 175.76 176.32 1rck s ILE 89 N -0.26 1.22 -0.04 0.00 -4.36 -0.17 -2.50 121.20 115.08 1rck s ILE 89 Ca -0.04 -2.03 -0.31 0.00 -0.26 0.00 0.00 60.65 58.01 1rck s ILE 89 Cb -0.03 -1.81 0.07 0.00 1.25 0.00 0.00 42.46 41.94 1rck s ILE 89 CO 0.04 -0.70 0.68 0.28 0.24 0.00 0.00 174.94 175.49 1rck s THR 90 N -3.16 0.00 -0.12 8.37 -1.32 0.10 -0.78 115.64 118.73 1rck s THR 90 Ca 0.16 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.40 1rck s THR 90 Cb 0.01 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.79 1rck s THR 90 CO 0.01 0.00 0.68 0.45 -2.21 0.00 0.00 174.62 173.55 1rck h HIS 91 N 2.96 -0.01 0.00 9.09 3.86 -1.77 -1.39 115.15 127.89 1rck h HIS 91 Ca -0.27 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1rck h HIS 91 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1rck h HIS 91 CO 0.37 0.76 0.00 -2.37 0.86 0.00 0.00 177.93 177.56 1rck n THR 92 N -4.67 0.00 -2.71 2.45 5.66 -1.26 -1.28 114.28 112.47 1rck n THR 92 Ca -0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.83 1rck n THR 92 Cb 0.38 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.00 1.54 3.77 1.09 0.00 -1.26 -4.88 105.19 105.44 1rck n GLY 93 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.67 2.34 0.22 4.61 0.00 -0.40 -4.97 121.76 121.89 1rck s ALA 94 Ca 0.26 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 1rck s ALA 94 Cb 0.42 -3.29 0.18 0.00 0.00 0.00 0.00 23.12 20.43 1rck s ALA 94 CO -0.02 -1.57 1.82 1.03 0.00 0.00 0.00 175.76 177.02 1rck h SER 95 N -0.67 1.07 0.00 0.00 0.87 -1.91 -3.47 113.55 109.45 1rck h SER 95 Ca -0.45 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1rck h SER 95 Cb 1.24 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1rck h SER 95 CO 0.52 0.89 0.00 0.61 -0.53 0.00 0.00 176.83 178.32 1rck n GLY 96 N -1.05 2.01 0.35 5.77 0.00 -1.26 -5.00 105.19 106.01 1rck n GLY 96 Ca 0.08 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1rck n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rck n ASN 97 N 0.00 1.45 -4.04 1.61 5.15 -1.26 -4.98 115.26 113.19 1rck n ASN 97 Ca 0.00 -1.16 -0.29 0.00 -0.60 0.00 0.00 54.58 52.53 1rck n ASN 97 Cb 0.00 0.29 0.25 0.00 -0.53 0.00 0.00 39.78 39.78 1rck n ASN 97 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rck s ASN 98 N -2.49 0.62 0.11 1.20 4.22 -1.26 -5.07 114.94 112.27 1rck s ASN 98 Ca 0.22 1.01 0.08 0.00 -2.14 0.00 0.00 52.86 52.03 1rck s ASN 98 Cb 0.19 -1.52 -0.04 0.00 1.28 0.00 0.00 41.25 41.16 1rck s ASN 98 CO 0.54 -4.35 -0.20 -0.36 -2.04 0.00 0.00 177.10 170.69 1rck s PHE 99 N -2.65 1.74 0.32 1.54 0.08 -1.26 -4.71 117.98 113.04 1rck s PHE 99 Ca 0.69 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.37 1rck s PHE 99 Cb -0.16 -0.94 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 1rck s PHE 99 CO 0.59 0.21 -0.04 0.14 -0.10 0.00 0.00 175.22 176.03 1rck s VAL 100 N -1.34 1.72 0.38 -0.44 -7.23 -0.53 -4.95 120.40 108.01 1rck s VAL 100 Ca 0.07 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1rck s VAL 100 Cb -0.09 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1rck s VAL 100 CO 0.04 -0.19 0.60 -0.83 -0.31 0.00 0.00 175.10 174.41 1rck s GLY 101 N -3.51 1.38 0.49 2.32 0.00 -1.19 -0.72 107.32 106.08 1rck s GLY 101 Ca 0.32 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 44.28 1rck s GLY 101 CO 0.14 -0.76 0.66 0.00 0.00 0.00 0.00 173.10 173.14 1rck n SER 103 N -2.01 -1.34 -1.14 0.00 7.64 -1.25 -1.14 113.62 114.38 1rck n SER 103 Ca 0.11 -1.04 -0.13 0.00 1.01 0.00 0.00 58.87 58.82 1rck n SER 103 Cb 0.60 -2.78 -0.04 0.00 -1.01 0.00 0.00 64.21 60.98 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 -1.82 0.92 3.83 0.23 0.00 -1.26 -5.01 105.19 102.08 1rck n GLY 104 Ca -0.16 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.53 4.66 0.00 2.61 2.01 -0.29 -5.08 115.64 117.02 1rck s THR 105 Ca 0.00 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1rck s THR 105 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1rck s THR 105 CO 0.00 0.06 0.00 -3.20 -0.69 0.00 0.00 174.62 170.79