#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 -3.63 -1.46 0.00 -1.26 -4.49 120.51 109.66 1rck n ALA 3 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1rck n ALA 3 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 1.78 -0.32 0.00 -4.23 -1.04 -4.69 115.64 107.15 1rck s THR 4 Ca 0.00 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1rck s THR 4 Cb 0.00 -1.60 0.10 0.00 1.34 0.00 0.00 72.50 72.34 1rck s THR 4 CO 0.00 0.50 0.08 -0.89 -0.54 0.00 0.00 174.62 173.77 1rck s THR 5 N 0.86 1.42 -0.90 3.99 2.01 -1.26 -0.71 115.64 121.05 1rck s THR 5 Ca -0.08 -1.77 -0.09 0.00 0.31 0.00 0.00 61.69 60.05 1rck s THR 5 Cb -0.15 -2.06 0.23 0.00 0.01 0.00 0.00 72.50 70.52 1rck s THR 5 CO -0.01 -0.65 0.84 0.00 -0.69 0.00 0.00 174.62 174.11 1rck n GLY 7 N 3.28 1.96 0.00 0.00 0.00 -1.26 -2.62 105.19 106.55 1rck n GLY 7 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 3.99 2.18 -4.56 1.61 3.41 -1.26 -5.01 113.62 113.98 1rck n SER 8 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 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 -1.47 3.57 0.24 6.66 2.01 -1.08 -4.98 115.64 120.59 1rck s THR 9 Ca 0.00 0.40 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 1rck s THR 9 Cb 0.00 -4.32 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 1rck s THR 9 CO 0.00 -1.20 0.51 0.21 -0.69 0.00 0.00 174.62 173.45 1rck s ASN 10 N 5.85 6.50 -0.14 3.53 2.47 -1.26 -2.31 114.94 129.59 1rck s ASN 10 Ca 0.55 0.74 -0.11 0.00 0.42 0.00 0.00 52.86 54.46 1rck s ASN 10 Cb -0.11 -2.15 0.04 0.00 -1.45 0.00 0.00 41.25 37.57 1rck s ASN 10 CO 0.21 -0.10 0.36 -0.31 -3.72 0.00 0.00 177.10 173.54 1rck s TYR 11 N -1.91 -0.43 0.61 0.43 1.51 0.11 -4.99 117.35 112.68 1rck s TYR 11 Ca 0.44 1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 57.36 1rck s TYR 11 Cb -0.11 0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.87 1rck s TYR 11 CO 0.26 -0.22 1.09 -1.54 -1.11 0.00 0.00 175.55 174.03 1rck s SER 12 N 0.48 5.48 0.63 2.29 1.04 -1.26 -2.48 113.70 119.89 1rck s SER 12 Ca -0.02 1.96 0.31 0.00 0.48 0.00 0.00 55.95 58.67 1rck s SER 12 Cb -0.04 -2.55 1.67 0.00 0.10 0.00 0.00 66.02 65.19 1rck s SER 12 CO -0.03 -1.37 1.99 0.00 0.98 0.00 0.00 173.24 174.81 1rck h ALA 13 N 0.40 1.61 -0.12 5.32 0.00 -1.93 0.14 119.26 124.68 1rck h ALA 13 Ca -0.47 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1rck h ALA 13 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rck h ALA 13 CO 0.56 -0.39 -0.31 1.03 0.00 0.00 0.00 179.25 180.13 1rck h SER 14 N 0.00 0.48 0.09 0.00 0.87 -1.91 -2.79 113.55 110.29 1rck h SER 14 Ca 0.07 -0.59 -0.13 0.00 -1.23 0.00 0.00 61.79 59.92 1rck h SER 14 Cb 0.70 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1rck h SER 14 CO -0.00 0.98 -0.44 1.56 -0.53 0.00 0.00 176.83 178.41 1rck h GLN 15 N 0.00 0.43 0.05 2.24 4.20 -1.09 -0.89 115.11 120.05 1rck h GLN 15 Ca -0.01 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1rck h GLN 15 Cb 0.92 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1rck h GLN 15 CO 0.07 0.79 -0.03 0.28 -0.67 0.00 0.00 178.83 179.27 1rck h VAL 16 N 0.35 1.10 -0.55 -0.54 2.07 -1.43 -1.09 116.25 116.16 1rck h VAL 16 Ca 0.03 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1rck h VAL 16 Cb 0.91 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1rck h VAL 16 CO 0.08 0.13 0.33 -0.09 0.02 0.00 0.00 177.57 178.04 1rck h ARG 17 N -0.30 0.75 0.18 1.57 2.43 -1.47 -0.32 114.38 117.21 1rck h ARG 17 Ca -0.01 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1rck h ARG 17 Cb 0.27 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1rck h ARG 17 CO 0.01 0.54 -0.08 0.00 -1.51 0.00 0.00 179.97 178.93 1rck h ALA 18 N 1.17 -0.24 -0.58 2.80 0.00 -1.11 0.24 119.26 121.54 1rck h ALA 18 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rck h ALA 18 Cb -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1rck h ALA 18 CO -0.04 -0.51 0.38 0.00 0.00 0.00 0.00 179.25 179.09 1rck h ALA 19 N 0.28 1.67 0.12 0.00 0.00 -1.12 -1.82 119.26 118.39 1rck h ALA 19 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 1rck h ALA 19 Cb 0.37 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.99 1rck h ALA 19 CO 0.04 0.28 -1.25 0.00 0.00 0.00 0.00 179.25 178.32 1rck h ALA 20 N 1.66 -0.00 0.00 0.00 0.00 -0.93 -1.95 119.26 118.04 1rck h ALA 20 Ca 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1rck h ALA 20 Cb 0.03 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rck h ALA 20 CO -0.06 0.70 -0.08 -0.91 0.00 0.00 0.00 179.25 178.91 1rck h ASN 21 N 0.27 0.00 0.07 0.00 2.35 -0.69 0.21 115.58 117.78 1rck h ASN 21 Ca -0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1rck h ASN 21 Cb 1.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.30 1rck h ASN 21 CO 0.24 0.08 -0.03 0.00 -1.65 0.00 0.00 177.43 176.06 1rck h ALA 22 N 1.92 -0.14 -1.04 -0.83 0.00 -1.25 -2.89 119.26 115.04 1rck h ALA 22 Ca -0.00 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.16 1rck h ALA 22 Cb 0.40 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1rck h ALA 22 CO 0.01 -0.13 0.69 0.00 0.00 0.00 0.00 179.25 179.82 1rck h ALA 23 N -1.44 2.40 1.00 0.00 0.00 -1.32 -1.16 119.26 118.74 1rck h ALA 23 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1rck h ALA 23 Cb 0.07 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rck h ALA 23 CO 0.01 -0.77 -0.48 0.00 0.00 0.00 0.00 179.25 178.01 1rck h GLN 25 N -1.35 0.00 0.00 0.00 4.20 -1.13 -2.79 115.11 114.04 1rck h GLN 25 Ca -0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1rck h GLN 25 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1rck h GLN 25 CO 0.22 0.03 -1.46 0.66 -0.67 0.00 0.00 178.83 177.61 1rck n TYR 26 N -3.21 0.57 0.08 2.96 4.02 -0.51 -4.33 117.16 116.73 1rck n TYR 26 Ca -0.01 0.17 -0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1rck n TYR 26 Cb 0.19 -0.79 0.04 0.00 -0.02 0.00 0.00 39.34 38.75 1rck n TYR 26 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1rck h TYR 27 N 0.00 0.35 0.00 -0.72 3.20 -0.29 -3.23 116.97 116.28 1rck h TYR 27 Ca -0.03 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1rck h TYR 27 Cb 1.08 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1rck h TYR 27 CO 0.00 0.92 0.00 1.04 -1.64 0.00 0.00 178.16 178.48 1rck n GLN 28 N -3.76 0.15 -2.05 1.82 6.02 -1.24 -4.88 117.38 113.43 1rck n GLN 28 Ca -0.03 0.59 -0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1rck n GLN 28 Cb 0.73 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1rck n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1rck n ASN 29 N -2.24 -4.05 -3.05 1.08 5.15 -1.22 -5.02 115.26 105.90 1rck n ASN 29 Ca -0.01 -0.02 -0.18 0.00 -0.60 0.00 0.00 54.58 53.76 1rck n ASN 29 Cb 0.08 -2.53 -0.02 0.00 -0.53 0.00 0.00 39.78 36.78 1rck n ASN 29 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1rck n ASP 30 N -1.27 1.64 -0.40 1.20 8.00 -1.26 -5.08 116.55 119.37 1rck n ASP 30 Ca -0.00 -3.10 0.05 0.00 0.71 0.00 0.00 54.79 52.45 1rck n ASP 30 Cb 0.50 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1rck n ASP 30 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rck n ASP 31 N 0.12 -2.27 -3.55 -2.24 2.03 -1.26 -4.95 116.55 104.42 1rck n ASP 31 Ca 0.24 0.37 -0.23 0.00 0.52 0.00 0.00 54.79 55.70 1rck n ASP 31 Cb 0.64 -1.37 0.05 0.00 -0.72 0.00 0.00 41.12 39.72 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1rck n THR 32 N -2.77 -6.42 -3.72 5.18 -2.24 -1.26 -4.83 114.28 98.22 1rck n THR 32 Ca -0.02 -0.92 -0.11 0.00 -2.27 0.00 0.00 64.05 60.73 1rck n THR 32 Cb 0.19 -4.84 -0.06 0.00 -2.10 0.00 0.00 70.33 63.52 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 -3.50 -0.71 -0.63 6.98 0.00 -1.26 -4.66 121.76 117.98 1rck s ALA 33 Ca 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1rck s ALA 33 Cb -0.08 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1rck s ALA 33 CO 0.81 -0.53 0.66 0.41 0.00 0.00 0.00 175.76 177.11 1rck n GLY 34 N 0.10 -1.25 0.11 0.00 0.00 -1.26 -5.00 105.19 97.88 1rck n GLY 34 Ca -0.17 0.77 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 1rck n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rck h SER 35 N 1.02 -0.20 0.00 1.61 4.64 -1.83 -3.47 113.55 115.32 1rck h SER 35 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rck h SER 35 Cb 1.01 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rck h SER 35 CO 0.26 -0.00 -0.03 -1.20 -0.87 0.00 0.00 176.83 175.00 1rck n SER 36 N -3.45 0.00 -2.69 4.97 7.64 -1.26 -4.98 113.62 113.85 1rck n SER 36 Ca -0.03 0.37 -0.02 0.00 1.01 0.00 0.00 58.87 60.20 1rck n SER 36 Cb 0.09 0.26 0.12 0.00 -1.01 0.00 0.00 64.21 63.67 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 -3.33 0.17 -3.50 0.44 5.66 -1.26 -5.09 114.28 107.37 1rck n THR 37 Ca 0.00 -1.30 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 1rck n THR 37 Cb 0.01 1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 69.78 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 -0.38 -0.58 0.30 1.09 2.02 -1.26 -4.51 117.35 114.04 1rck s TYR 38 Ca 0.12 1.06 -0.29 0.00 -0.37 0.00 0.00 57.07 57.60 1rck s TYR 38 Cb 0.43 0.35 -0.10 0.00 -0.40 0.00 0.00 41.96 42.24 1rck s TYR 38 CO -0.11 -0.29 1.15 -1.25 -1.57 0.00 0.00 175.55 173.48 1rck s PRO 39 N 1.93 4.51 0.06 -1.71 0.04 -1.26 -2.79 135.00 135.78 1rck s PRO 39 Ca -0.05 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 1rck s PRO 39 Cb -0.05 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.44 1rck s PRO 39 CO -0.16 0.07 0.48 -3.38 0.04 0.00 0.00 177.00 174.05 1rck s HIS 40 N -1.19 -0.37 0.65 0.56 -3.43 -1.23 -4.35 115.29 105.92 1rck s HIS 40 Ca 0.47 0.34 -0.16 0.00 -0.80 0.00 0.00 55.06 54.90 1rck s HIS 40 Cb -0.33 0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 31.13 1rck s HIS 40 CO 0.43 -0.64 1.17 0.95 -2.00 0.00 0.00 174.74 174.64 1rck s THR 41 N -2.68 2.79 -0.20 -5.38 -4.23 -1.26 -2.49 115.64 102.20 1rck s THR 41 Ca -0.04 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.81 1rck s THR 41 Cb -0.00 -3.01 0.09 0.00 1.34 0.00 0.00 72.50 70.91 1rck s THR 41 CO -0.04 -0.18 0.43 -0.47 -0.54 0.00 0.00 174.62 173.82 1rck s TYR 42 N -1.99 -0.80 0.65 3.99 5.04 -0.77 -4.83 117.35 118.64 1rck s TYR 42 Ca 0.72 1.53 0.04 0.00 -2.44 0.00 0.00 57.07 56.93 1rck s TYR 42 Cb -0.26 0.32 0.11 0.00 0.35 0.00 0.00 41.96 42.48 1rck s TYR 42 CO 0.39 -0.47 0.90 1.21 -1.34 0.00 0.00 175.55 176.23 1rck s ASN 43 N 2.48 4.71 -0.84 4.32 3.84 -1.26 -3.21 114.94 124.97 1rck s ASN 43 Ca -0.03 -0.58 -0.25 0.00 0.21 0.00 0.00 52.86 52.21 1rck s ASN 43 Cb -0.12 0.11 0.03 0.00 -0.55 0.00 0.00 41.25 40.72 1rck s ASN 43 CO -0.13 -1.61 1.41 0.20 -2.79 0.00 0.00 177.10 174.18 1rck s ASN 44 N -4.70 6.18 0.00 -4.21 0.01 -1.26 -4.92 114.94 106.04 1rck s ASN 44 Ca 0.64 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1rck s ASN 44 Cb -0.06 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1rck s ASN 44 CO 0.42 -1.80 0.00 -1.22 -1.51 0.00 0.00 177.10 172.99 1rck n TYR 45 N 9.63 0.00 -2.40 2.20 4.01 -1.26 -5.00 117.16 124.33 1rck n TYR 45 Ca 0.16 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.87 1rck n TYR 45 Cb 0.50 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.57 1rck n TYR 45 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1rck n GLU 46 N 0.00 0.80 0.00 -0.72 0.28 -1.26 -5.10 120.64 114.63 1rck n GLU 46 Ca 0.00 -1.25 0.00 0.00 -0.16 0.00 0.00 57.16 55.75 1rck n GLU 46 Cb 0.00 0.36 0.00 0.00 1.43 0.00 0.00 31.44 33.23 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rck n GLY 47 N -0.83 6.06 2.70 -1.84 0.00 -1.26 -5.01 105.19 105.01 1rck n GLY 47 Ca -0.20 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1rck n GLY 47 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rck n PHE 48 N 0.00 3.47 -2.43 1.61 1.16 -1.26 -4.93 117.46 115.08 1rck n PHE 48 Ca 0.00 -2.99 -0.43 0.00 -1.87 0.00 0.00 57.45 52.17 1rck n PHE 48 Cb 0.00 -2.56 -0.02 0.00 -1.61 0.00 0.00 39.48 35.29 1rck n PHE 48 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1rck s ASP 49 N 3.14 6.88 -0.07 5.98 1.01 -1.26 -4.96 116.67 127.38 1rck s ASP 49 Ca 0.48 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.99 1rck s ASP 49 Cb 0.14 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 1rck s ASP 49 CO -0.09 -0.85 1.84 -0.36 0.21 0.00 0.00 175.17 175.93 1rck s PHE 50 N 3.73 1.63 -1.02 4.23 0.08 -1.26 -4.93 117.98 120.44 1rck s PHE 50 Ca 0.55 0.06 -0.23 0.00 0.12 0.00 0.00 56.93 57.42 1rck s PHE 50 Cb -0.20 -4.05 0.04 0.00 -0.57 0.00 0.00 43.02 38.23 1rck s PHE 50 CO 0.16 -4.36 1.53 -1.25 -0.10 0.00 0.00 175.22 171.20 1rck s PRO 51 N 4.62 3.45 0.16 0.24 0.04 -1.26 -4.52 135.00 137.74 1rck s PRO 51 Ca 0.82 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1rck s PRO 51 Cb -0.35 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 28.86 1rck s PRO 51 CO 0.35 -2.39 0.00 0.28 0.04 0.00 0.00 177.00 175.28 1rck n VAL 52 N 7.01 0.19 0.00 -0.36 0.31 -1.26 -5.16 118.33 119.07 1rck n VAL 52 Ca 0.35 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 1rck n VAL 52 Cb 0.50 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1rck n VAL 52 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1rck n ASP 53 N -3.15 0.00 0.00 4.52 5.68 -1.26 -5.20 116.55 117.14 1rck n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1rck n ASP 53 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rck n GLY 54 N 0.00 4.08 0.00 6.12 0.00 -1.26 -5.00 105.19 109.12 1rck n GLY 54 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.42 -0.37 -4.12 1.61 -0.02 -1.26 -4.97 135.00 125.44 1rck n PRO 55 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1rck n PRO 55 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 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 -0.63 0.99 -0.08 6.00 1.51 -1.20 -3.25 117.35 120.71 1rck s TYR 56 Ca 0.00 -1.21 -0.11 0.00 -1.01 0.00 0.00 57.07 54.74 1rck s TYR 56 Cb 0.00 -0.24 0.02 0.00 -0.11 0.00 0.00 41.96 41.63 1rck s TYR 56 CO 0.00 -0.90 0.28 -1.14 -1.11 0.00 0.00 175.55 172.67 1rck s GLN 57 N -3.72 0.42 0.04 -0.62 -0.44 -0.87 -1.84 119.66 112.62 1rck s GLN 57 Ca 0.32 0.20 -0.01 0.00 -2.50 0.00 0.00 55.36 53.38 1rck s GLN 57 Cb 0.02 0.20 -0.04 0.00 -1.64 0.00 0.00 33.01 31.55 1rck s GLN 57 CO 0.15 -0.08 0.19 -1.21 0.50 0.00 0.00 175.29 174.85 1rck s GLU 58 N -0.31 3.41 -0.26 1.67 2.02 -1.04 -1.91 118.70 122.28 1rck s GLU 58 Ca -0.04 -0.42 -0.13 0.00 0.02 0.00 0.00 54.97 54.40 1rck s GLU 58 Cb -0.03 -3.04 0.09 0.00 0.10 0.00 0.00 34.13 31.24 1rck s GLU 58 CO 0.01 0.63 0.63 0.12 0.02 0.00 0.00 175.26 176.67 1rck s PHE 59 N -1.44 -1.05 0.42 1.61 2.19 -0.98 -3.58 117.98 115.15 1rck s PHE 59 Ca 0.32 2.03 -0.23 0.00 0.33 0.00 0.00 56.93 59.38 1rck s PHE 59 Cb -0.13 0.60 -0.09 0.00 -1.31 0.00 0.00 43.02 42.10 1rck s PHE 59 CO 0.25 -0.53 1.04 -1.25 1.83 0.00 0.00 175.22 176.56 1rck s PRO 60 N 1.91 4.08 0.00 10.12 0.04 -1.26 -2.12 135.00 147.77 1rck s PRO 60 Ca -0.09 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1rck s PRO 60 Cb -0.07 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1rck s PRO 60 CO -0.18 -0.20 0.00 1.51 0.04 0.00 0.00 177.00 178.16 1rck n ILE 61 N -0.33 0.00 -0.36 0.56 0.13 -1.08 -4.78 119.36 113.50 1rck n ILE 61 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.71 1rck n ILE 61 Cb 0.51 -1.94 0.00 0.00 -0.84 0.00 0.00 39.64 37.37 1rck n ILE 61 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1rck n LYS 62 N -0.18 0.56 -1.06 9.51 4.81 -1.26 -4.71 118.16 125.83 1rck n LYS 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1rck n LYS 62 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1rck n LYS 62 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1rck n SER 63 N -1.15 -0.84 0.00 3.14 3.41 -1.26 -4.73 113.62 112.18 1rck n SER 63 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1rck n SER 63 Cb 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.23 0.05 0.00 5.00 0.00 -1.26 -5.05 105.19 103.70 1rck n GLY 64 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.46 2.97 -0.02 0.00 -1.26 -4.92 105.19 104.42 1rck n GLY 65 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1rck n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rck s VAL 66 N -2.00 1.27 -1.35 1.61 1.01 -1.26 -3.80 120.40 115.88 1rck s VAL 66 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1rck s VAL 66 Cb 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1rck s VAL 66 CO 0.00 0.41 1.06 0.00 0.00 0.00 0.00 175.10 176.57 1rck n TYR 67 N 4.76 -2.53 0.00 5.22 0.18 -1.26 -4.83 117.16 118.71 1rck n TYR 67 Ca -0.15 0.96 0.00 0.00 1.88 0.00 0.00 57.90 60.59 1rck n TYR 67 Cb 0.50 -4.80 0.00 0.00 -0.38 0.00 0.00 39.34 34.66 1rck n TYR 67 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1rck n THR 68 N -4.68 0.00 0.00 -3.48 5.66 -1.26 -5.03 114.28 105.49 1rck n THR 68 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1rck n THR 68 Cb 0.59 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 0.18 -0.93 3.55 1.09 0.00 -1.26 -5.10 105.19 102.72 1rck n GLY 69 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1rck n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 70 N 0.00 1.44 0.44 -0.02 0.00 -1.25 -4.58 107.32 103.35 1rck s GLY 70 Ca 0.00 -2.50 -0.25 0.00 0.00 0.00 0.00 44.72 41.97 1rck s GLY 70 CO 0.00 2.63 1.41 1.44 0.00 0.00 0.00 173.10 178.58 1rck n SER 71 N 8.51 3.22 -4.76 1.64 7.64 -1.26 -4.98 113.62 123.63 1rck n SER 71 Ca 0.37 1.12 -0.40 0.00 1.01 0.00 0.00 58.87 60.97 1rck n SER 71 Cb 0.49 -1.59 -0.04 0.00 -1.01 0.00 0.00 64.21 62.07 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 -2.39 4.58 0.35 1.43 0.04 -1.26 -4.85 135.00 132.90 1rck s PRO 72 Ca 0.61 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1rck s PRO 72 Cb -0.46 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1rck s PRO 72 CO 0.58 0.14 0.00 0.41 0.04 0.00 0.00 177.00 178.17 1rck n GLY 73 N 1.10 -1.12 1.19 0.56 0.00 -1.26 -5.09 105.19 100.57 1rck n GLY 73 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.37 0.00 -1.75 4.61 0.00 -1.26 -4.77 120.51 113.97 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 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.00 5.59 0.11 0.00 1.47 -1.26 -2.56 116.67 118.02 1rck s ASP 75 Ca 0.00 1.67 0.06 0.00 1.18 0.00 0.00 52.55 55.45 1rck s ASP 75 Cb 0.00 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 40.03 1rck s ASP 75 CO 0.00 -1.89 -0.14 -0.13 0.68 0.00 0.00 175.17 173.69 1rck s ARG 76 N 6.14 1.00 0.03 2.11 1.81 -0.53 -2.63 118.95 126.87 1rck s ARG 76 Ca 0.93 -1.20 0.09 0.00 -1.72 0.00 0.00 55.73 53.83 1rck s ARG 76 Cb -0.29 -0.91 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 1rck s ARG 76 CO 0.34 0.18 -0.26 0.14 -0.68 0.00 0.00 175.30 175.03 1rck s VAL 77 N -1.99 2.06 -0.01 3.52 -7.23 -0.90 -2.08 120.40 113.76 1rck s VAL 77 Ca 0.07 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1rck s VAL 77 Cb -0.06 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1rck s VAL 77 CO 0.03 0.40 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.50 1rck s VAL 78 N -0.75 0.28 0.40 1.32 1.01 -0.16 -2.32 120.40 120.17 1rck s VAL 78 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1rck s VAL 78 Cb -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 1rck s VAL 78 CO 0.01 0.11 0.02 2.30 0.00 0.00 0.00 175.10 177.54 1rck n ILE 79 N 3.40 0.00 -1.56 2.22 -5.35 -0.80 -1.82 119.36 115.44 1rck n ILE 79 Ca -0.18 -1.93 -0.15 0.00 -0.27 0.00 0.00 62.75 60.22 1rck n ILE 79 Cb 0.56 0.43 0.11 0.00 -1.74 0.00 0.00 39.64 39.00 1rck n ILE 79 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1rck n ASN 80 N -1.31 0.10 -1.23 7.28 5.03 0.25 -2.06 115.26 123.33 1rck n ASN 80 Ca -0.15 -1.28 -0.05 0.00 0.87 0.00 0.00 54.58 53.97 1rck n ASN 80 Cb 0.51 -0.53 0.06 0.00 -1.02 0.00 0.00 39.78 38.81 1rck n ASN 80 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1rck n THR 81 N -2.92 1.40 0.05 3.41 5.66 -1.20 -4.18 114.28 116.50 1rck n THR 81 Ca 0.09 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1rck n THR 81 Cb 0.31 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.33 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 0.08 -0.67 0.00 1.09 4.13 -1.26 -5.04 115.26 113.60 1rck n ASN 82 Ca 0.14 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1rck n ASN 82 Cb 0.75 0.84 0.00 0.00 -1.54 0.00 0.00 39.78 39.83 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck s GLU 84 N 0.00 4.50 0.32 0.00 2.12 -1.26 -4.83 118.70 119.54 1rck s GLU 84 Ca 0.00 1.48 -0.29 0.00 0.36 0.00 0.00 54.97 56.51 1rck s GLU 84 Cb 0.00 -3.47 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 1rck s GLU 84 CO 0.00 -0.16 1.58 -0.47 -0.54 0.00 0.00 175.26 175.66 1rck s TYR 85 N 1.32 2.68 -0.06 5.30 6.14 -1.26 -0.58 117.35 130.89 1rck s TYR 85 Ca 0.52 0.86 -0.09 0.00 0.64 0.00 0.00 57.07 59.00 1rck s TYR 85 Cb -0.22 -4.08 -0.03 0.00 0.42 0.00 0.00 41.96 38.05 1rck s TYR 85 CO 0.25 -3.52 -0.18 0.00 0.64 0.00 0.00 175.55 172.74 1rck n ALA 86 N 1.71 1.54 -3.61 3.97 0.00 -0.96 -4.78 120.51 118.39 1rck n ALA 86 Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.07 1rck n ALA 86 Cb 0.38 0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 1rck n ALA 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rck s GLY 87 N -4.29 -0.43 0.07 0.00 0.00 -0.76 -4.98 107.32 96.93 1rck s GLY 87 Ca -0.15 0.73 0.09 0.00 0.00 0.00 0.00 44.72 45.39 1rck s GLY 87 CO 0.22 0.16 -0.26 0.00 0.00 0.00 0.00 173.10 173.22 1rck s ALA 88 N -2.37 2.21 0.11 3.20 0.00 -1.26 -0.99 121.76 122.67 1rck s ALA 88 Ca 0.14 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1rck s ALA 88 Cb 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1rck s ALA 88 CO -0.04 0.51 0.14 0.96 0.00 0.00 0.00 175.76 177.34 1rck s ILE 89 N -0.87 0.13 -0.19 0.00 -0.00 -0.88 -2.44 121.20 116.94 1rck s ILE 89 Ca 0.12 -1.52 -0.26 0.00 -0.00 0.00 0.00 60.65 58.99 1rck s ILE 89 Cb -0.10 -1.67 0.07 0.00 -0.00 0.00 0.00 42.46 40.76 1rck s ILE 89 CO 0.03 -0.58 0.68 0.28 -0.00 0.00 0.00 174.94 175.35 1rck s THR 90 N -3.94 0.00 -0.07 8.37 -1.32 -0.22 -1.45 115.64 117.01 1rck s THR 90 Ca 0.13 -0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1rck s THR 90 Cb 0.06 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1rck s THR 90 CO -0.05 -0.01 2.10 1.41 -2.21 0.00 0.00 174.62 175.86 1rck n HIS 91 N 2.12 0.34 -0.01 9.09 8.25 -1.06 -2.14 115.22 131.80 1rck n HIS 91 Ca -0.16 -1.24 0.17 0.00 -0.26 0.00 0.00 57.72 56.23 1rck n HIS 91 Cb 0.56 -0.66 0.62 0.00 1.12 0.00 0.00 29.99 31.63 1rck n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rck h THR 92 N 1.06 0.80 0.00 1.59 1.03 -1.87 -3.43 112.91 112.09 1rck h THR 92 Ca 0.07 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 1rck h THR 92 Cb 1.00 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 1rck h THR 92 CO 0.18 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.33 1rck n GLY 93 N -1.59 -1.83 7.00 2.99 0.00 -1.26 -5.09 105.19 105.41 1rck n GLY 93 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.53 0.00 -2.84 4.61 0.00 -1.26 -3.67 120.51 114.82 1rck n ALA 94 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1rck n ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 7.89 -2.89 0.00 0.00 7.64 -1.26 -5.01 113.62 120.00 1rck n SER 95 Ca 0.00 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1rck n SER 95 Cb 0.00 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 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 2.57 1.85 1.86 0.23 0.00 -1.24 -3.37 105.19 107.09 1rck n GLY 96 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1rck n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rck n ASN 97 N 8.33 4.95 -4.60 1.61 4.13 -1.26 -4.96 115.26 123.45 1rck n ASN 97 Ca 0.00 -3.15 -0.25 0.00 1.68 0.00 0.00 54.58 52.86 1rck n ASN 97 Cb 0.00 -0.71 0.12 0.00 -1.54 0.00 0.00 39.78 37.65 1rck n ASN 97 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1rck s ASN 98 N -1.10 4.18 0.24 6.41 -0.87 -1.22 -5.06 114.94 117.53 1rck s ASN 98 Ca 0.54 -0.24 0.11 0.00 -1.57 0.00 0.00 52.86 51.70 1rck s ASN 98 Cb 0.43 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.25 41.51 1rck s ASN 98 CO 0.13 -1.98 -0.19 -0.36 -2.57 0.00 0.00 177.10 172.13 1rck s PHE 99 N -3.26 2.13 0.05 2.20 0.08 -1.26 -4.31 117.98 113.61 1rck s PHE 99 Ca 0.67 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 1rck s PHE 99 Cb -0.05 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1rck s PHE 99 CO 0.46 0.59 0.02 0.14 -0.10 0.00 0.00 175.22 176.32 1rck s VAL 100 N -2.46 0.18 0.42 -0.44 -7.23 -0.91 -4.86 120.40 105.10 1rck s VAL 100 Ca 0.26 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.69 1rck s VAL 100 Cb -0.05 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 1rck s VAL 100 CO 0.12 -0.83 1.05 -0.83 -0.31 0.00 0.00 175.10 174.30 1rck s GLY 101 N -2.63 2.68 0.00 2.32 0.00 -1.26 -1.05 107.32 107.38 1rck s GLY 101 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1rck s GLY 101 CO -0.08 1.10 0.00 0.00 0.00 0.00 0.00 173.10 174.12 1rck s SER 103 N -1.00 6.56 0.00 0.00 0.01 -1.13 -2.11 113.70 116.03 1rck s SER 103 Ca 0.00 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1rck s SER 103 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1rck s SER 103 CO 0.00 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1rck n GLY 104 N 4.26 0.59 3.80 3.44 0.00 -1.26 -4.81 105.19 111.21 1rck n GLY 104 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.18 4.99 0.00 2.61 2.01 -0.90 -5.05 115.64 117.13 1rck s THR 105 Ca 0.00 0.96 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1rck s THR 105 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1rck s THR 105 CO 0.00 0.51 0.00 -3.20 -0.69 0.00 0.00 174.62 171.24