#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rck s ALA 3 N 0.00 2.32 -0.02 7.33 0.00 -1.26 -4.48 121.76 125.65 1rck s ALA 3 Ca 0.00 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 1rck s ALA 3 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1rck s ALA 3 CO 0.00 -1.55 0.03 -0.08 0.00 0.00 0.00 175.76 174.16 1rck s THR 4 N -1.87 -0.03 -0.41 0.00 -1.32 -0.45 -4.85 115.64 106.71 1rck s THR 4 Ca 0.75 0.12 -0.06 0.00 -1.21 0.00 0.00 61.69 61.29 1rck s THR 4 Cb -0.29 -0.07 0.09 0.00 -1.51 0.00 0.00 72.50 70.72 1rck s THR 4 CO 0.40 0.05 0.22 -0.89 -2.21 0.00 0.00 174.62 172.19 1rck s THR 5 N 0.64 3.75 -1.30 5.08 2.01 -1.26 -1.52 115.64 123.02 1rck s THR 5 Ca -0.05 -1.66 -0.10 0.00 0.31 0.00 0.00 61.69 60.19 1rck s THR 5 Cb -0.07 -3.39 0.15 0.00 0.01 0.00 0.00 72.50 69.20 1rck s THR 5 CO -0.02 -0.55 1.92 0.00 -0.69 0.00 0.00 174.62 175.28 1rck n GLY 7 N 2.97 1.88 0.34 0.00 0.00 -1.26 -3.20 105.19 105.93 1rck n GLY 7 Ca 0.41 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 4.29 1.59 -4.58 1.61 3.41 -1.26 -4.93 113.62 113.75 1rck n SER 8 Ca 0.00 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 1rck n SER 8 Cb 0.00 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.36 3.63 0.37 6.66 2.01 -1.19 -4.99 115.64 119.77 1rck s THR 9 Ca -0.27 0.55 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1rck s THR 9 Cb 0.10 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 1rck s THR 9 CO 0.35 -0.89 0.88 0.21 -0.69 0.00 0.00 174.62 174.49 1rck s ASN 10 N 5.58 6.98 -0.13 3.53 2.47 -1.26 -2.10 114.94 130.02 1rck s ASN 10 Ca 0.63 1.60 -0.06 0.00 0.42 0.00 0.00 52.86 55.45 1rck s ASN 10 Cb -0.14 -2.50 0.05 0.00 -1.45 0.00 0.00 41.25 37.21 1rck s ASN 10 CO 0.27 -0.24 0.30 -0.31 -3.72 0.00 0.00 177.10 173.40 1rck s TYR 11 N -1.98 -0.44 0.76 0.43 2.02 -0.58 -4.98 117.35 112.58 1rck s TYR 11 Ca 0.56 0.98 -0.11 0.00 -0.37 0.00 0.00 57.07 58.14 1rck s TYR 11 Cb -0.12 0.10 0.05 0.00 -0.40 0.00 0.00 41.96 41.59 1rck s TYR 11 CO 0.17 -0.29 1.08 -1.54 -1.57 0.00 0.00 175.55 173.39 1rck s SER 12 N 1.57 4.71 0.65 2.29 1.04 -1.26 -1.35 113.70 121.35 1rck s SER 12 Ca -0.07 1.76 0.40 0.00 0.48 0.00 0.00 55.95 58.52 1rck s SER 12 Cb -0.10 -2.51 2.19 0.00 0.10 0.00 0.00 66.02 65.70 1rck s SER 12 CO -0.10 -1.90 2.23 0.00 0.98 0.00 0.00 173.24 174.46 1rck h ALA 13 N -1.03 1.08 0.08 5.32 0.00 -1.90 0.95 119.26 123.76 1rck h ALA 13 Ca -0.44 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 1rck h ALA 13 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1rck h ALA 13 CO 0.53 -0.08 -1.13 1.03 0.00 0.00 0.00 179.25 179.60 1rck h SER 14 N 0.00 0.60 -0.16 0.00 0.87 -1.91 -2.73 113.55 110.22 1rck h SER 14 Ca 0.00 -0.55 -0.16 0.00 -1.23 0.00 0.00 61.79 59.85 1rck h SER 14 Cb 0.16 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1rck h SER 14 CO 0.00 1.38 -0.51 1.56 -0.53 0.00 0.00 176.83 178.73 1rck h GLN 15 N 0.19 0.63 -0.36 2.24 7.50 -1.19 -0.52 115.11 123.60 1rck h GLN 15 Ca -0.13 -0.46 -0.01 0.00 0.50 0.00 0.00 58.65 58.55 1rck h GLN 15 Cb 1.80 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 29.39 1rck h GLN 15 CO 0.20 1.08 0.19 0.28 -1.50 0.00 0.00 178.83 179.08 1rck h VAL 16 N 0.30 1.15 -0.49 -0.54 2.07 -1.41 -2.33 116.25 115.01 1rck h VAL 16 Ca -0.02 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1rck h VAL 16 Cb 1.13 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1rck h VAL 16 CO 0.11 0.16 -0.06 0.03 0.02 0.00 0.00 177.57 177.82 1rck h ARG 17 N 0.46 0.90 0.33 1.57 3.08 -1.50 -2.28 114.38 116.95 1rck h ARG 17 Ca 0.13 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1rck h ARG 17 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1rck h ARG 17 CO -0.02 0.97 -0.16 0.00 -1.07 0.00 0.00 179.97 179.69 1rck h ALA 18 N 0.90 -0.45 -0.22 0.04 0.00 -0.96 -0.79 119.26 117.78 1rck h ALA 18 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rck h ALA 18 Cb 0.60 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rck h ALA 18 CO 0.04 -0.70 0.09 0.00 0.00 0.00 0.00 179.25 178.67 1rck h ALA 19 N 0.10 1.74 -0.02 0.00 0.00 -1.49 -1.81 119.26 117.78 1rck h ALA 19 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rck h ALA 19 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rck h ALA 19 CO 0.08 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 1rck h ALA 20 N 1.79 0.03 0.00 0.00 0.00 -1.08 -2.05 119.26 117.95 1rck h ALA 20 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1rck h ALA 20 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rck h ALA 20 CO -0.01 -0.16 -0.03 -0.91 0.00 0.00 0.00 179.25 178.15 1rck h ASN 21 N -0.48 0.00 0.00 0.00 2.35 -0.99 -1.85 115.58 114.60 1rck h ASN 21 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rck h ASN 21 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1rck h ASN 21 CO 0.01 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 1rck n ALA 22 N -2.21 -0.14 -0.31 -0.83 0.00 -0.69 -2.66 120.51 113.66 1rck n ALA 22 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.60 1rck n ALA 22 Cb 0.13 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.94 1rck n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rck n ALA 23 N -1.70 0.63 0.06 0.00 0.00 -0.79 -0.42 120.51 118.28 1rck n ALA 23 Ca 0.00 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.31 1rck n ALA 23 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1rck n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rck h GLN 25 N -0.29 1.06 0.00 0.00 4.20 -0.51 -2.48 115.11 117.09 1rck h GLN 25 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1rck h GLN 25 Cb 0.36 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1rck h GLN 25 CO -0.16 0.70 -0.77 1.88 -0.67 0.00 0.00 178.83 179.81 1rck h TYR 26 N 1.09 0.00 0.00 2.96 -1.99 -1.27 -3.36 116.97 114.40 1rck h TYR 26 Ca 0.46 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.10 1rck h TYR 26 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1rck h TYR 26 CO -0.01 0.00 -0.44 -0.92 -0.00 0.00 0.00 178.16 176.79 1rck h TYR 27 N 0.00 0.00 -0.34 4.88 3.20 -0.25 -3.06 116.97 121.39 1rck h TYR 27 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1rck h TYR 27 Cb 0.82 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1rck h TYR 27 CO 0.00 0.40 0.19 1.96 -1.64 0.00 0.00 178.16 179.08 1rck h GLN 28 N 0.00 0.46 0.00 1.82 4.20 -1.67 -3.42 115.11 116.51 1rck h GLN 28 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1rck h GLN 28 Cb 1.32 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1rck h GLN 28 CO 0.05 0.34 0.00 -1.71 -0.67 0.00 0.00 178.83 176.84 1rck n ASN 29 N -4.45 0.00 0.00 1.46 2.85 -1.26 -5.08 115.26 108.78 1rck n ASN 29 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1rck n ASN 29 Cb 0.09 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.11 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1rck n ASP 30 N -0.37 0.00 -3.73 1.20 2.03 -1.20 -5.13 116.55 109.35 1rck n ASP 30 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 1rck n ASP 30 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 1rck n ASP 30 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1rck n ASP 31 N 0.00 0.23 -4.57 1.67 8.00 -1.16 -4.92 116.55 115.80 1rck n ASP 31 Ca 0.00 -1.49 -0.26 0.00 0.71 0.00 0.00 54.79 53.74 1rck n ASP 31 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 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 -3.41 3.45 0.00 -3.53 -1.32 -1.26 -4.85 115.64 104.71 1rck s THR 32 Ca 0.64 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1rck s THR 32 Cb -0.02 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 1rck s THR 32 CO 0.45 -0.89 0.00 0.00 -2.21 0.00 0.00 174.62 171.97 1rck n ALA 33 N 14.48 0.00 -0.26 11.08 0.00 -1.26 -5.03 120.51 139.52 1rck n ALA 33 Ca 0.42 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.89 1rck n ALA 33 Cb 0.47 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 0.64 -6.54 0.00 0.00 -1.83 -3.46 103.07 91.87 1rck h GLY 34 Ca 0.00 0.20 -0.51 0.00 0.00 0.00 0.00 47.33 47.02 1rck h GLY 34 CO 0.00 -0.29 -0.89 1.44 0.00 0.00 0.00 176.54 176.80 1rck n SER 35 N -5.44 -0.20 0.07 0.19 7.64 -0.47 -4.78 113.62 110.62 1rck n SER 35 Ca 0.11 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1rck n SER 35 Cb 0.41 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.67 1rck n SER 35 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rck n SER 36 N -2.98 -0.40 -0.47 6.43 3.41 -1.26 -4.97 113.62 113.38 1rck n SER 36 Ca -0.31 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1rck n SER 36 Cb 0.69 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1rck n THR 37 N -2.93 0.00 -3.63 6.66 5.66 -1.26 -5.09 114.28 113.68 1rck n THR 37 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1rck n THR 37 Cb 0.00 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 68.87 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 -0.76 0.13 1.09 1.51 -1.26 -4.47 117.35 113.59 1rck s TYR 38 Ca 0.00 1.50 -0.29 0.00 -1.01 0.00 0.00 57.07 57.27 1rck s TYR 38 Cb 0.00 0.45 -0.06 0.00 -0.11 0.00 0.00 41.96 42.24 1rck s TYR 38 CO 0.00 -0.38 0.93 -1.25 -1.11 0.00 0.00 175.55 173.74 1rck s PRO 39 N 1.52 4.70 0.06 -1.71 0.04 -1.26 -1.37 135.00 136.98 1rck s PRO 39 Ca -0.09 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 1rck s PRO 39 Cb -0.04 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.18 1rck s PRO 39 CO -0.17 0.29 0.43 -3.38 0.04 0.00 0.00 177.00 174.21 1rck s HIS 40 N -0.27 -0.28 0.80 0.56 -3.43 -1.23 -4.93 115.29 106.52 1rck s HIS 40 Ca 0.45 0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 54.78 1rck s HIS 40 Cb -0.24 0.25 0.08 0.00 -1.43 0.00 0.00 32.58 31.25 1rck s HIS 40 CO 0.29 -0.62 1.15 -0.08 -2.00 0.00 0.00 174.74 173.49 1rck s THR 41 N -2.78 2.53 -0.19 -5.38 -1.32 -1.26 -1.84 115.64 105.40 1rck s THR 41 Ca -0.03 0.20 -0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1rck s THR 41 Cb -0.00 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.44 1rck s THR 41 CO -0.05 -0.19 2.64 0.00 -2.21 0.00 0.00 174.62 174.81 1rck n TYR 42 N -3.44 0.76 0.00 9.09 4.19 -0.72 -4.84 117.16 122.21 1rck n TYR 42 Ca 0.12 -1.60 0.00 0.00 3.31 0.00 0.00 57.90 59.72 1rck n TYR 42 Cb 0.52 -1.13 0.00 0.00 0.49 0.00 0.00 39.34 39.22 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 1.34 0.00 -3.30 2.98 3.02 -1.26 -4.79 115.26 113.25 1rck n ASN 43 Ca 0.31 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.66 1rck n ASN 43 Cb 0.65 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.74 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rck n ASN 44 N 4.46 -0.20 0.00 6.41 4.13 -1.26 -5.05 115.26 123.75 1rck n ASN 44 Ca 0.00 -3.09 0.00 0.00 1.68 0.00 0.00 54.58 53.17 1rck n ASN 44 Cb 0.00 1.45 0.00 0.00 -1.54 0.00 0.00 39.78 39.69 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck n TYR 45 N -0.68 0.00 -3.91 3.10 4.19 -1.26 -4.59 117.16 114.02 1rck n TYR 45 Ca 0.04 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.95 1rck n TYR 45 Cb 0.58 0.04 -0.15 0.00 0.49 0.00 0.00 39.34 40.30 1rck n TYR 45 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1rck s GLU 46 N 0.00 1.39 -0.40 2.98 2.02 -1.26 -5.07 118.70 118.36 1rck s GLU 46 Ca 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 54.97 53.88 1rck s GLU 46 Cb 0.00 -2.56 0.12 0.00 0.10 0.00 0.00 34.13 31.80 1rck s GLU 46 CO 0.00 -0.73 0.19 0.20 0.02 0.00 0.00 175.26 174.94 1rck s GLY 47 N 1.38 1.52 -0.94 -1.39 0.00 -1.26 -4.88 107.32 101.74 1rck s GLY 47 Ca -0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 44.72 42.29 1rck s GLY 47 CO -0.10 1.54 0.73 0.33 0.00 0.00 0.00 173.10 175.60 1rck n PHE 48 N 3.93 -2.29 -2.02 1.90 7.35 -1.26 -4.94 117.46 120.12 1rck n PHE 48 Ca 0.06 0.77 -0.33 0.00 -0.76 0.00 0.00 57.45 57.18 1rck n PHE 48 Cb 0.37 -3.52 0.02 0.00 0.35 0.00 0.00 39.48 36.70 1rck n PHE 48 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1rck s ASP 49 N -3.21 5.54 0.32 -2.13 1.11 -1.26 -5.08 116.67 111.96 1rck s ASP 49 Ca 0.22 1.99 0.08 0.00 0.18 0.00 0.00 52.55 55.02 1rck s ASP 49 Cb -0.07 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1rck s ASP 49 CO 0.83 -1.34 0.18 -0.36 1.18 0.00 0.00 175.17 175.66 1rck s PHE 50 N -2.20 2.82 -0.51 4.23 0.40 -1.26 -5.02 117.98 116.44 1rck s PHE 50 Ca 0.67 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.64 1rck s PHE 50 Cb -0.20 -1.61 -0.17 0.00 0.51 0.00 0.00 43.02 41.55 1rck s PHE 50 CO 0.35 0.34 2.98 -0.35 0.70 0.00 0.00 175.22 179.24 1rck n PRO 51 N -1.20 2.23 -3.94 0.24 -0.04 -1.26 -4.74 135.00 126.29 1rck n PRO 51 Ca -0.04 -1.25 -0.09 0.00 -0.04 0.00 0.00 63.50 62.09 1rck n PRO 51 Cb 0.60 -2.20 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 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 1.78 0.00 0.00 0.52 -7.23 -1.26 -5.15 120.40 109.06 1rck s VAL 52 Ca 0.58 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1rck s VAL 52 Cb 0.23 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.96 1rck s VAL 52 CO -0.02 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.10 1rck n ASP 53 N -0.54 0.00 0.00 4.85 2.03 -1.26 -5.12 116.55 116.50 1rck n ASP 53 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1rck n ASP 53 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rck n GLY 54 N 5.00 -0.54 3.53 0.27 0.00 -1.26 -4.65 105.19 107.53 1rck n GLY 54 Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 0.52 -4.13 1.61 -0.02 -1.26 -4.97 135.00 126.75 1rck n PRO 55 Ca 0.00 0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 1rck n PRO 55 Cb 0.00 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1rck n PRO 55 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1rck s TYR 56 N -1.75 0.82 0.12 6.00 1.13 -1.26 -3.13 117.35 119.27 1rck s TYR 56 Ca 0.70 -0.43 0.03 0.00 -1.41 0.00 0.00 57.07 55.97 1rck s TYR 56 Cb -0.39 -0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 39.95 1rck s TYR 56 CO 0.53 -0.03 0.13 1.14 -2.51 0.00 0.00 175.55 174.81 1rck s GLN 57 N -1.40 2.99 0.02 -3.49 1.03 -0.57 -1.75 119.66 116.49 1rck s GLN 57 Ca -0.06 -0.73 0.01 0.00 0.04 0.00 0.00 55.36 54.62 1rck s GLN 57 Cb -0.09 -2.75 -0.04 0.00 0.03 0.00 0.00 33.01 30.17 1rck s GLN 57 CO 0.01 0.53 0.08 -1.21 -2.54 0.00 0.00 175.29 172.16 1rck s GLU 58 N -2.75 3.01 -0.30 9.60 8.01 -0.77 -1.95 118.70 133.56 1rck s GLU 58 Ca 0.31 -0.54 -0.11 0.00 0.01 0.00 0.00 54.97 54.63 1rck s GLU 58 Cb -0.11 -2.82 0.12 0.00 -4.31 0.00 0.00 34.13 27.01 1rck s GLU 58 CO 0.24 0.62 0.66 0.12 0.01 0.00 0.00 175.26 176.91 1rck s PHE 59 N -1.24 -1.29 0.38 1.61 5.36 -0.87 -3.53 117.98 118.40 1rck s PHE 59 Ca 0.24 2.30 -0.25 0.00 -0.96 0.00 0.00 56.93 58.26 1rck s PHE 59 Cb -0.12 0.78 -0.09 0.00 -0.34 0.00 0.00 43.02 43.24 1rck s PHE 59 CO 0.16 -0.64 1.04 -1.25 -1.46 0.00 0.00 175.22 173.06 1rck s PRO 60 N 2.66 4.27 0.63 10.12 0.04 -1.26 -1.90 135.00 149.56 1rck s PRO 60 Ca -0.07 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1rck s PRO 60 Cb -0.11 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1rck s PRO 60 CO -0.19 -0.04 1.03 -1.50 0.04 0.00 0.00 177.00 176.34 1rck s ILE 61 N -1.62 4.57 -0.28 0.56 1.10 -1.03 -4.79 121.20 119.71 1rck s ILE 61 Ca 0.55 0.85 -0.09 0.00 -0.51 0.00 0.00 60.65 61.45 1rck s ILE 61 Cb -0.22 -3.77 -0.03 0.00 0.15 0.00 0.00 42.46 38.59 1rck s ILE 61 CO 0.28 -1.08 0.13 -1.59 -2.11 0.00 0.00 174.94 170.57 1rck s LYS 62 N -5.12 3.64 -0.63 3.50 0.00 -1.26 -4.63 119.74 115.25 1rck s LYS 62 Ca 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 55.97 56.03 1rck s LYS 62 Cb -0.12 -3.49 0.42 0.00 0.00 0.00 0.00 37.83 34.65 1rck s LYS 62 CO 0.54 -0.25 1.78 0.43 0.00 0.00 0.00 175.35 177.84 1rck n SER 63 N 4.98 6.83 0.00 0.03 7.64 -1.26 -4.63 113.62 127.20 1rck n SER 63 Ca -0.15 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 55.94 1rck n SER 63 Cb 0.51 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 64 N -0.72 0.60 3.64 0.23 0.00 -1.26 -5.10 105.19 102.58 1rck n GLY 64 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.60 0.16 0.02 -0.02 0.00 -1.26 -5.17 107.32 100.46 1rck s GLY 65 Ca 0.00 3.25 -0.13 0.00 0.00 0.00 0.00 44.72 47.85 1rck s GLY 65 CO 0.00 2.33 0.39 0.14 0.00 0.00 0.00 173.10 175.96 1rck s VAL 66 N 0.77 5.08 -1.40 1.40 1.01 -1.26 -4.55 120.40 121.44 1rck s VAL 66 Ca -0.03 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1rck s VAL 66 Cb -0.04 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1rck s VAL 66 CO -0.12 0.48 0.30 0.00 0.00 0.00 0.00 175.10 175.76 1rck n TYR 67 N 1.50 -1.30 -2.39 5.22 4.11 -1.26 -4.89 117.16 118.15 1rck n TYR 67 Ca -0.12 0.35 -0.00 0.00 -0.00 0.00 0.00 57.90 58.13 1rck n TYR 67 Cb 0.52 -2.77 0.06 0.00 -0.00 0.00 0.00 39.34 37.16 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1rck n THR 68 N -4.81 1.08 -3.85 -3.48 -2.24 -1.26 -4.73 114.28 94.98 1rck n THR 68 Ca -0.23 -2.37 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 1rck n THR 68 Cb 0.64 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.26 0.93 3.39 3.38 0.00 -1.26 -4.96 105.19 106.41 1rck n GLY 69 Ca 0.13 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1rck n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 70 N 0.00 -0.84 3.67 -0.02 0.00 -1.26 -4.90 105.19 101.84 1rck n GLY 70 Ca 0.00 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.28 2.07 -0.24 1.61 7.64 -1.26 -4.90 113.62 117.26 1rck n SER 71 Ca -0.11 1.07 -0.00 0.00 1.01 0.00 0.00 58.87 60.84 1rck n SER 71 Cb 0.61 -1.45 0.07 0.00 -1.01 0.00 0.00 64.21 62.43 1rck n SER 71 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1rck h PRO 72 N 1.81 -0.03 0.00 1.43 0.11 -1.89 -3.45 132.00 129.98 1rck h PRO 72 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rck h PRO 72 Cb 1.31 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1rck h PRO 72 CO 0.58 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 1rck n GLY 73 N -1.47 1.20 0.68 -0.55 0.00 -1.26 -4.98 105.19 98.82 1rck n GLY 73 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.85 -2.93 4.61 0.00 -1.26 -4.98 120.51 116.80 1rck n ALA 74 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.82 1rck n ALA 74 Cb 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.41 4.88 0.09 0.00 1.01 -1.26 -1.63 116.67 119.34 1rck s ASP 75 Ca 0.00 -0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1rck s ASP 75 Cb 0.00 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.11 1rck s ASP 75 CO 0.00 0.18 -0.09 -0.60 0.21 0.00 0.00 175.17 174.87 1rck s ARG 76 N 0.30 0.78 0.01 8.23 3.52 -0.17 -2.47 118.95 129.15 1rck s ARG 76 Ca -0.03 -1.12 0.06 0.00 -0.13 0.00 0.00 55.73 54.51 1rck s ARG 76 Cb -0.14 -0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 32.82 1rck s ARG 76 CO 0.03 0.05 -0.20 0.14 -0.81 0.00 0.00 175.30 174.51 1rck s VAL 77 N -2.52 1.58 -0.04 7.11 -7.23 -0.80 -1.31 120.40 117.19 1rck s VAL 77 Ca 0.04 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1rck s VAL 77 Cb -0.02 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.60 1rck s VAL 77 CO -0.01 0.34 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.41 1rck s VAL 78 N -0.60 0.31 0.44 1.32 1.01 -0.83 -2.05 120.40 119.99 1rck s VAL 78 Ca 0.07 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1rck s VAL 78 Cb -0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1rck s VAL 78 CO 0.00 0.19 0.08 -0.63 0.00 0.00 0.00 175.10 174.74 1rck s ILE 79 N 1.17 1.87 0.49 2.22 1.01 -0.82 -1.27 121.20 125.87 1rck s ILE 79 Ca -0.07 -1.88 0.08 0.00 0.00 0.00 0.00 60.65 58.77 1rck s ILE 79 Cb -0.14 -2.75 0.08 0.00 0.01 0.00 0.00 42.46 39.67 1rck s ILE 79 CO -0.02 0.00 0.67 0.59 0.00 0.00 0.00 174.94 176.18 1rck n ASN 80 N -1.17 1.83 -2.34 3.58 3.02 -0.73 -1.51 115.26 117.95 1rck n ASN 80 Ca -0.07 -2.32 -0.19 0.00 -0.03 0.00 0.00 54.58 51.97 1rck n ASN 80 Cb 0.66 -0.35 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 1rck n ASN 80 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1rck n THR 81 N -2.05 3.34 0.00 3.41 5.66 -1.18 -3.87 114.28 119.59 1rck n THR 81 Ca 0.13 -1.82 0.00 0.00 -3.05 0.00 0.00 64.05 59.32 1rck n THR 81 Cb 0.51 -2.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.15 1rck n THR 81 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1rck n ASN 82 N 2.72 0.00 -0.25 1.09 3.02 -1.26 -5.02 115.26 115.56 1rck n ASN 82 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1rck n ASN 82 Cb 0.74 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rck s GLU 84 N 0.00 3.23 -0.23 0.00 2.02 -1.26 -4.81 118.70 117.65 1rck s GLU 84 Ca 0.00 -0.38 -0.32 0.00 0.02 0.00 0.00 54.97 54.29 1rck s GLU 84 Cb 0.00 -4.46 -0.09 0.00 0.10 0.00 0.00 34.13 29.68 1rck s GLU 84 CO 0.00 -2.22 2.13 0.98 0.02 0.00 0.00 175.26 176.17 1rck n TYR 85 N 9.56 1.94 -0.06 1.61 9.36 -1.26 -1.77 117.16 136.53 1rck n TYR 85 Ca 0.11 0.03 -0.12 0.00 3.32 0.00 0.00 57.90 61.25 1rck n TYR 85 Cb 0.50 -2.65 -0.11 0.00 -0.63 0.00 0.00 39.34 36.45 1rck n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rck h ALA 86 N 12.63 -0.01 0.00 2.98 0.00 -1.49 -3.48 119.26 129.88 1rck h ALA 86 Ca -0.38 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1rck h ALA 86 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1rck h ALA 86 CO 0.98 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1rck n GLY 87 N 1.50 2.13 3.90 0.00 0.00 -1.03 -4.86 105.19 106.83 1rck n GLY 87 Ca -0.08 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 3.88 0.12 4.61 0.00 -1.26 -1.97 121.76 125.14 1rck s ALA 88 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1rck s ALA 88 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1rck s ALA 88 CO 0.00 0.70 -0.07 0.96 0.00 0.00 0.00 175.76 177.36 1rck s ILE 89 N -1.42 0.82 0.24 0.00 -4.36 -0.43 -1.36 121.20 114.69 1rck s ILE 89 Ca 0.32 -1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 58.54 1rck s ILE 89 Cb -0.13 -1.79 0.03 0.00 1.25 0.00 0.00 42.46 41.82 1rck s ILE 89 CO 0.21 -0.79 0.64 0.28 0.24 0.00 0.00 174.94 175.52 1rck s THR 90 N -3.55 0.00 -0.04 8.37 -1.32 0.16 -1.00 115.64 118.26 1rck s THR 90 Ca 0.15 -0.84 -0.01 0.00 -1.21 0.00 0.00 61.69 59.78 1rck s THR 90 Cb 0.05 -1.78 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 1rck s THR 90 CO -0.02 -0.02 0.10 0.45 -2.21 0.00 0.00 174.62 172.92 1rck h HIS 91 N 2.06 -0.05 -0.80 9.09 3.86 -1.58 0.10 115.15 127.84 1rck h HIS 91 Ca -0.24 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 1rck h HIS 91 Cb 1.26 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1rck h HIS 91 CO 0.38 -0.03 -0.02 -2.37 0.86 0.00 0.00 177.93 176.75 1rck n THR 92 N -3.34 0.00 0.00 2.45 5.66 -1.26 -2.02 114.28 115.77 1rck n THR 92 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1rck n THR 92 Cb 0.02 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 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 0.06 0.42 3.63 1.09 0.00 -1.26 -5.09 105.19 104.04 1rck n GLY 93 Ca -0.01 -0.02 -0.51 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 -0.21 -3.09 4.61 0.00 -0.85 -4.93 120.51 116.04 1rck n ALA 94 Ca 0.00 0.46 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 1rck n ALA 94 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 1rck n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rck n SER 95 N 3.51 5.73 0.00 0.00 2.88 -1.26 -4.95 113.62 119.53 1rck n SER 95 Ca 0.20 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1rck n SER 95 Cb 0.21 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 96 N 1.06 -0.24 0.00 0.46 0.00 -1.26 -4.92 105.19 100.29 1rck n GLY 96 Ca 0.28 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 0.30 0.00 -4.86 1.61 3.02 -1.26 -4.86 115.26 109.22 1rck n ASN 97 Ca 0.00 -1.81 -0.32 0.00 -0.03 0.00 0.00 54.58 52.43 1rck n ASN 97 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1rck n ASN 97 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rck s ASN 98 N -1.17 6.45 0.08 6.41 2.20 -1.26 -5.10 114.94 122.55 1rck s ASN 98 Ca 0.07 1.49 0.00 0.00 -0.94 0.00 0.00 52.86 53.48 1rck s ASN 98 Cb 0.03 -2.49 -0.04 0.00 -2.00 0.00 0.00 41.25 36.76 1rck s ASN 98 CO 0.05 -0.70 -0.05 -0.36 -2.94 0.00 0.00 177.10 173.10 1rck s PHE 99 N -2.85 0.72 0.40 1.54 0.40 -1.26 -4.67 117.98 112.25 1rck s PHE 99 Ca 0.57 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1rck s PHE 99 Cb -0.10 -0.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.94 1rck s PHE 99 CO 0.41 -0.26 0.10 0.14 0.70 0.00 0.00 175.22 176.31 1rck s VAL 100 N -3.75 0.80 0.71 -0.44 -7.23 0.02 -4.93 120.40 105.57 1rck s VAL 100 Ca 0.09 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.20 1rck s VAL 100 Cb 0.06 -2.43 0.07 0.00 0.56 0.00 0.00 36.38 34.64 1rck s VAL 100 CO -0.07 0.00 1.01 -0.83 -0.31 0.00 0.00 175.10 174.90 1rck s GLY 101 N -3.61 1.71 0.29 2.32 0.00 -1.26 -0.67 107.32 106.10 1rck s GLY 101 Ca 0.25 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1rck s GLY 101 CO 0.13 -0.61 0.09 0.00 0.00 0.00 0.00 173.10 172.71 1rck n SER 103 N -1.63 -0.74 -3.75 0.00 2.88 -1.25 -0.84 113.62 108.29 1rck n SER 103 Ca -0.05 -0.44 -0.23 0.00 -1.33 0.00 0.00 58.87 56.82 1rck n SER 103 Cb 0.42 -0.65 0.03 0.00 -0.75 0.00 0.00 64.21 63.26 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 104 N -0.68 -0.30 3.82 0.46 0.00 -1.26 -4.95 105.19 102.28 1rck n GLY 104 Ca 0.05 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1rck n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rck s THR 105 N -3.66 4.31 0.00 2.61 -1.32 -0.02 -5.21 115.64 112.36 1rck s THR 105 Ca 0.07 1.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.95 1rck s THR 105 Cb -0.04 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1rck s THR 105 CO 0.82 -0.35 0.00 -3.20 -2.21 0.00 0.00 174.62 169.68