#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 -2.75 -3.43 -1.46 0.00 -1.26 -4.89 120.51 106.72 1rck n ALA 3 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 1rck n ALA 3 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.18 -0.16 -0.96 0.00 -4.23 -1.06 -4.67 115.64 102.39 1rck s THR 4 Ca 0.00 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.26 1rck s THR 4 Cb 0.00 -0.93 0.12 0.00 1.34 0.00 0.00 72.50 73.03 1rck s THR 4 CO 0.00 -0.71 1.20 -0.89 -0.54 0.00 0.00 174.62 173.68 1rck s THR 5 N 1.65 4.59 -1.39 3.99 2.01 -1.26 -2.48 115.64 122.75 1rck s THR 5 Ca 0.14 -1.47 -0.08 0.00 0.31 0.00 0.00 61.69 60.59 1rck s THR 5 Cb -0.17 -4.84 0.08 0.00 0.01 0.00 0.00 72.50 67.58 1rck s THR 5 CO -0.15 -1.59 2.35 0.00 -0.69 0.00 0.00 174.62 174.54 1rck n GLY 7 N 2.63 2.38 0.22 0.00 0.00 -1.26 -3.14 105.19 106.01 1rck n GLY 7 Ca 0.59 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 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 4.83 2.76 -4.63 1.61 3.41 -1.26 -4.98 113.62 115.36 1rck n SER 8 Ca 0.00 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1rck n SER 8 Cb 0.00 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1rck n SER 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rck s THR 9 N -2.13 3.09 -0.41 6.66 -4.23 -1.19 -4.95 115.64 112.49 1rck s THR 9 Ca -0.09 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1rck s THR 9 Cb 0.03 -3.10 0.11 0.00 1.34 0.00 0.00 72.50 70.88 1rck s THR 9 CO 0.14 -0.04 0.20 0.21 -0.54 0.00 0.00 174.62 174.59 1rck s ASN 10 N 6.39 5.22 0.09 3.99 2.47 -1.26 -0.42 114.94 131.42 1rck s ASN 10 Ca 0.93 -2.06 -0.08 0.00 0.42 0.00 0.00 52.86 52.06 1rck s ASN 10 Cb -0.35 -1.81 -0.06 0.00 -1.45 0.00 0.00 41.25 37.57 1rck s ASN 10 CO 0.37 -0.53 0.39 -0.31 -3.72 0.00 0.00 177.10 173.30 1rck s TYR 11 N 1.09 3.55 0.59 0.43 2.02 -1.04 -4.99 117.35 119.00 1rck s TYR 11 Ca 0.09 0.72 -0.17 0.00 -0.37 0.00 0.00 57.07 57.34 1rck s TYR 11 Cb -0.22 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.18 1rck s TYR 11 CO -0.04 0.50 1.08 -1.12 -1.57 0.00 0.00 175.55 174.40 1rck s SER 12 N -1.91 5.66 0.59 2.29 0.01 -1.26 -2.55 113.70 116.53 1rck s SER 12 Ca 0.35 1.96 0.39 0.00 1.31 0.00 0.00 55.95 59.95 1rck s SER 12 Cb -0.13 -2.55 2.11 0.00 0.21 0.00 0.00 66.02 65.66 1rck s SER 12 CO 0.19 -1.25 2.19 0.00 0.41 0.00 0.00 173.24 174.78 1rck h ALA 13 N 0.65 1.02 -0.04 1.44 0.00 -1.91 0.55 119.26 120.96 1rck h ALA 13 Ca -0.48 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1rck h ALA 13 Cb 1.24 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1rck h ALA 13 CO 0.57 -0.02 -0.98 0.77 0.00 0.00 0.00 179.25 179.59 1rck h SER 14 N 0.00 0.91 -0.41 0.00 0.02 -1.98 -2.51 113.55 109.58 1rck h SER 14 Ca 0.00 -0.69 -0.13 0.00 -0.84 0.00 0.00 61.79 60.12 1rck h SER 14 Cb 0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1rck h SER 14 CO 0.00 1.49 -0.27 1.56 -1.14 0.00 0.00 176.83 178.47 1rck h GLN 15 N 0.43 0.90 -0.15 3.45 4.20 -1.26 0.27 115.11 122.94 1rck h GLN 15 Ca -0.11 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.17 1rck h GLN 15 Cb 1.62 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.38 1rck h GLN 15 CO 0.19 1.08 0.08 0.28 -0.67 0.00 0.00 178.83 179.79 1rck h VAL 16 N 0.72 1.09 -0.63 -0.54 2.07 -1.47 -2.25 116.25 115.24 1rck h VAL 16 Ca 0.08 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1rck h VAL 16 Cb 0.85 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1rck h VAL 16 CO 0.07 0.09 0.03 -0.09 0.02 0.00 0.00 177.57 177.70 1rck h ARG 17 N 0.15 1.08 0.17 1.57 2.43 -1.40 -2.20 114.38 116.18 1rck h ARG 17 Ca 0.05 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1rck h ARG 17 Cb 0.07 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1rck h ARG 17 CO -0.01 1.03 -0.08 0.00 -1.51 0.00 0.00 179.97 179.40 1rck h ALA 18 N 1.03 -0.22 -0.06 2.80 0.00 -0.80 -0.60 119.26 121.41 1rck h ALA 18 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1rck h ALA 18 Cb 0.52 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1rck h ALA 18 CO 0.03 -0.57 -0.09 0.00 0.00 0.00 0.00 179.25 178.61 1rck h ALA 19 N 0.48 1.75 -0.05 0.00 0.00 -1.41 -1.33 119.26 118.70 1rck h ALA 19 Ca -0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1rck h ALA 19 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rck h ALA 19 CO 0.04 0.19 -0.26 0.00 0.00 0.00 0.00 179.25 179.21 1rck h ALA 20 N 1.83 0.10 0.00 0.00 0.00 -1.04 -1.05 119.26 119.09 1rck h ALA 20 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1rck h ALA 20 Cb 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rck h ALA 20 CO 0.01 0.12 -0.01 -0.97 0.00 0.00 0.00 179.25 178.40 1rck h ASN 21 N -0.28 0.00 0.05 0.00 -1.24 -0.94 -0.84 115.58 112.33 1rck h ASN 21 Ca -0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1rck h ASN 21 Cb 0.93 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.98 1rck h ASN 21 CO 0.05 0.01 -0.02 0.00 -1.29 0.00 0.00 177.43 176.18 1rck h ALA 22 N 1.99 -0.07 -0.78 1.57 0.00 -1.10 -2.86 119.26 118.01 1rck h ALA 22 Ca -0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1rck h ALA 22 Cb 0.29 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.96 1rck h ALA 22 CO 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 179.25 178.92 1rck h ALA 23 N -1.17 0.33 -0.41 0.00 0.00 -1.11 -0.79 119.26 116.11 1rck h ALA 23 Ca -0.01 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1rck h ALA 23 Cb 0.05 0.71 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1rck h ALA 23 CO 0.01 -0.51 -0.32 0.00 0.00 0.00 0.00 179.25 178.44 1rck h GLN 25 N -0.24 0.00 -0.02 0.00 4.15 -0.97 -3.34 115.11 114.70 1rck h GLN 25 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1rck h GLN 25 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1rck h GLN 25 CO -0.55 0.33 -0.15 0.66 -1.93 0.00 0.00 178.83 177.19 1rck n TYR 26 N -3.56 0.00 0.48 3.99 4.01 -0.43 -4.52 117.16 117.13 1rck n TYR 26 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1rck n TYR 26 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1rck n TYR 26 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1rck n TYR 27 N 0.44 0.00 0.00 -0.72 4.11 0.15 -4.14 117.16 117.00 1rck n TYR 27 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.97 1rck n TYR 27 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.71 1rck n TYR 27 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 1rck h GLN 28 N 0.97 -0.08 0.00 -3.48 4.20 -1.80 -3.48 115.11 111.45 1rck h GLN 28 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rck h GLN 28 Cb 0.34 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1rck h GLN 28 CO 0.00 -0.05 0.00 -1.71 -0.67 0.00 0.00 178.83 176.40 1rck n ASN 29 N -4.01 0.00 -3.38 1.46 5.15 -1.26 -4.96 115.26 108.25 1rck n ASN 29 Ca -0.01 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.58 1rck n ASN 29 Cb 0.03 0.07 -0.02 0.00 -0.53 0.00 0.00 39.78 39.33 1rck n ASN 29 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1rck n ASP 30 N -1.63 8.29 -4.68 1.20 5.75 -1.26 -4.94 116.55 119.27 1rck n ASP 30 Ca 0.00 -2.73 -0.42 0.00 -0.01 0.00 0.00 54.79 51.62 1rck n ASP 30 Cb 0.00 -1.51 -0.03 0.00 -1.03 0.00 0.00 41.12 38.55 1rck n ASP 30 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1rck s ASP 31 N 1.76 6.80 -0.28 -1.12 1.01 -1.26 -4.47 116.67 119.11 1rck s ASP 31 Ca 0.64 2.11 0.18 0.00 0.71 0.00 0.00 52.55 56.20 1rck s ASP 31 Cb 0.18 -2.55 0.45 0.00 1.01 0.00 0.00 42.92 42.01 1rck s ASP 31 CO -0.07 -0.79 1.31 1.07 0.21 0.00 0.00 175.17 176.90 1rck n THR 32 N 4.96 0.64 -3.15 -1.27 5.66 -1.26 -5.02 114.28 114.83 1rck n THR 32 Ca 0.14 -1.95 0.05 0.00 -3.05 0.00 0.00 64.05 59.25 1rck n THR 32 Cb 0.43 1.15 -0.01 0.00 -1.55 0.00 0.00 70.33 70.35 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rck s ALA 33 N -1.87 -3.79 -0.24 1.79 0.00 -1.26 -5.07 121.76 111.33 1rck s ALA 33 Ca 0.19 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.47 1rck s ALA 33 Cb 0.37 -2.68 0.12 0.00 0.00 0.00 0.00 23.12 20.94 1rck s ALA 33 CO -0.08 -1.78 0.44 0.20 0.00 0.00 0.00 175.76 174.54 1rck s GLY 34 N 2.96 -0.49 -0.01 0.00 0.00 -1.26 -4.46 107.32 104.06 1rck s GLY 34 Ca 0.12 1.36 -0.04 0.00 0.00 0.00 0.00 44.72 46.16 1rck s GLY 34 CO -0.17 2.68 0.53 1.48 0.00 0.00 0.00 173.10 177.63 1rck h SER 35 N 8.14 -0.12 0.00 1.64 4.64 -1.94 -3.49 113.55 122.43 1rck h SER 35 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1rck h SER 35 Cb 1.13 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1rck h SER 35 CO 0.20 -0.03 0.00 -1.20 -0.87 0.00 0.00 176.83 174.93 1rck n SER 36 N -2.69 -0.05 -0.07 4.97 7.64 -1.26 -5.02 113.62 117.14 1rck n SER 36 Ca -0.02 0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.80 1rck n SER 36 Cb 0.05 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.56 1.40 -1.88 0.44 -2.24 -1.26 -4.92 114.28 103.27 1rck n THR 37 Ca 0.00 0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1rck n THR 37 Cb 0.00 -2.12 -0.03 0.00 -2.10 0.00 0.00 70.33 66.09 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rck s TYR 38 N -2.65 2.17 -0.06 4.78 2.02 -1.26 -3.02 117.35 119.32 1rck s TYR 38 Ca -0.24 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1rck s TYR 38 Cb 0.04 -4.02 -0.04 0.00 -0.40 0.00 0.00 41.96 37.55 1rck s TYR 38 CO 0.34 -4.22 1.31 -1.25 -1.57 0.00 0.00 175.55 170.16 1rck s PRO 39 N 3.11 4.29 -0.03 -1.71 0.04 -1.26 -2.69 135.00 136.75 1rck s PRO 39 Ca 0.77 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 1rck s PRO 39 Cb -0.40 -3.64 0.12 0.00 0.04 0.00 0.00 34.50 30.62 1rck s PRO 39 CO 0.34 -0.58 1.31 -3.38 0.04 0.00 0.00 177.00 174.73 1rck s HIS 40 N 2.71 -0.01 0.74 0.56 -3.43 -1.17 -5.03 115.29 109.66 1rck s HIS 40 Ca 0.59 -0.08 -0.11 0.00 -0.80 0.00 0.00 55.06 54.67 1rck s HIS 40 Cb -0.27 0.54 0.04 0.00 -1.43 0.00 0.00 32.58 31.46 1rck s HIS 40 CO 0.22 -0.23 1.08 0.95 -2.00 0.00 0.00 174.74 174.76 1rck s THR 41 N -2.22 3.62 -0.20 -5.38 -4.23 -1.26 -2.61 115.64 103.36 1rck s THR 41 Ca 0.19 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1rck s THR 41 Cb 0.04 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1rck s THR 41 CO -0.03 -0.69 -0.15 -0.47 -0.54 0.00 0.00 174.62 172.73 1rck s TYR 42 N -2.97 2.85 -0.30 3.99 5.04 0.53 -4.79 117.35 121.70 1rck s TYR 42 Ca 0.60 -1.50 0.07 0.00 -2.44 0.00 0.00 57.07 53.80 1rck s TYR 42 Cb -0.16 -1.97 0.27 0.00 0.35 0.00 0.00 41.96 40.45 1rck s TYR 42 CO 0.56 -0.75 1.22 0.27 -1.34 0.00 0.00 175.55 175.51 1rck n ASN 43 N 4.66 -1.29 -4.28 4.32 0.23 -1.26 -4.46 115.26 113.18 1rck n ASN 43 Ca -0.20 -1.97 -0.44 0.00 -0.53 0.00 0.00 54.58 51.44 1rck n ASN 43 Cb 0.50 0.73 0.00 0.00 -2.08 0.00 0.00 39.78 38.93 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rck n ASN 44 N -0.81 5.50 -1.12 0.53 3.02 -1.26 -4.98 115.26 116.14 1rck n ASN 44 Ca -0.12 -3.08 0.12 0.00 -0.03 0.00 0.00 54.58 51.47 1rck n ASN 44 Cb 0.76 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.46 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rck n TYR 45 N 3.64 -2.97 -0.93 3.10 4.01 -1.26 -4.95 117.16 117.81 1rck n TYR 45 Ca 0.31 1.10 -0.09 0.00 -0.16 0.00 0.00 57.90 59.06 1rck n TYR 45 Cb 0.39 -1.97 0.07 0.00 -0.31 0.00 0.00 39.34 37.52 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 -3.18 -1.12 0.00 -0.72 0.28 -1.26 -4.68 120.64 109.96 1rck n GLU 46 Ca 0.01 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 1rck n GLU 46 Cb 0.40 -0.47 0.00 0.00 1.43 0.00 0.00 31.44 32.81 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 1.15 3.12 2.82 -1.84 0.00 -1.26 -4.99 105.19 104.20 1rck n GLY 47 Ca 0.05 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 1rck n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rck s PHE 48 N 0.00 0.23 -0.27 1.61 0.08 -1.26 -5.10 117.98 113.27 1rck s PHE 48 Ca 0.00 0.02 -0.23 0.00 0.12 0.00 0.00 56.93 56.85 1rck s PHE 48 Cb 0.00 -0.32 0.08 0.00 -0.57 0.00 0.00 43.02 42.21 1rck s PHE 48 CO 0.00 -0.10 0.75 0.16 -0.10 0.00 0.00 175.22 175.93 1rck s ASP 49 N 0.86 -0.76 0.19 1.36 -4.77 -1.26 -5.02 116.67 107.27 1rck s ASP 49 Ca -0.08 1.39 -0.05 0.00 -3.30 0.00 0.00 52.55 50.51 1rck s ASP 49 Cb -0.11 1.39 -0.05 0.00 -1.09 0.00 0.00 42.92 43.05 1rck s ASP 49 CO -0.02 -0.23 0.44 -0.36 0.70 0.00 0.00 175.17 175.70 1rck s PHE 50 N 0.70 3.47 -1.20 2.11 0.08 -1.26 -5.00 117.98 116.88 1rck s PHE 50 Ca -0.02 0.58 -0.15 0.00 0.12 0.00 0.00 56.93 57.45 1rck s PHE 50 Cb -0.05 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1rck s PHE 50 CO -0.05 0.35 2.22 -0.35 -0.10 0.00 0.00 175.22 177.29 1rck n PRO 51 N -0.28 2.45 -3.93 0.24 -0.04 -1.26 -4.81 135.00 127.37 1rck n PRO 51 Ca -0.02 -2.16 -0.09 0.00 -0.04 0.00 0.00 63.50 61.19 1rck n PRO 51 Cb 0.53 -2.99 -0.07 0.00 -0.04 0.00 0.00 33.50 30.92 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 3.65 0.08 0.11 0.52 -7.23 -1.26 -5.08 120.40 111.19 1rck s VAL 52 Ca 0.53 -1.31 -0.16 0.00 -1.81 0.00 0.00 61.98 59.22 1rck s VAL 52 Cb 0.14 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1rck s VAL 52 CO -0.01 -0.37 1.55 -2.24 -0.31 0.00 0.00 175.10 173.71 1rck h ASP 53 N 2.58 0.59 -2.96 4.85 2.03 -2.06 -3.50 116.42 117.96 1rck h ASP 53 Ca -0.32 -0.31 0.02 0.00 -0.73 0.00 0.00 57.03 55.69 1rck h ASP 53 Cb 1.22 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1rck h ASP 53 CO 0.50 0.76 -0.03 0.61 -1.03 0.00 0.00 179.24 180.05 1rck n GLY 54 N -0.34 -1.71 3.52 7.15 0.00 -1.26 -4.98 105.19 107.58 1rck n GLY 54 Ca -0.02 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1rck n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rck s PRO 55 N -0.19 -0.56 0.05 1.61 0.02 -1.26 -4.95 135.00 129.72 1rck s PRO 55 Ca 0.00 1.02 0.06 0.00 0.02 0.00 0.00 61.00 62.10 1rck s PRO 55 Cb 0.00 -1.58 -0.03 0.00 0.02 0.00 0.00 34.50 32.91 1rck s PRO 55 CO 0.00 -3.54 -0.16 1.52 -0.33 0.00 0.00 177.00 174.49 1rck s TYR 56 N -2.48 1.39 0.00 6.54 -0.85 -1.26 -2.30 117.35 118.39 1rck s TYR 56 Ca 0.68 -0.39 -0.17 0.00 -0.52 0.00 0.00 57.07 56.68 1rck s TYR 56 Cb -0.25 -0.81 -0.06 0.00 0.38 0.00 0.00 41.96 41.23 1rck s TYR 56 CO 0.63 0.07 0.47 -1.14 -1.52 0.00 0.00 175.55 174.07 1rck s GLN 57 N -1.36 4.09 -0.06 -3.49 2.00 0.50 -0.35 119.66 121.00 1rck s GLN 57 Ca 0.02 0.53 -0.08 0.00 -2.00 0.00 0.00 55.36 53.83 1rck s GLN 57 Cb -0.09 -3.27 -0.05 0.00 0.80 0.00 0.00 33.01 30.41 1rck s GLN 57 CO 0.02 0.58 0.23 -1.83 -0.50 0.00 0.00 175.29 173.78 1rck s GLU 58 N -0.78 3.57 -0.20 1.67 -1.05 -1.07 -1.27 118.70 119.56 1rck s GLU 58 Ca 0.26 -0.02 -0.04 0.00 -0.15 0.00 0.00 54.97 55.01 1rck s GLU 58 Cb -0.17 -3.16 0.10 0.00 -0.44 0.00 0.00 34.13 30.46 1rck s GLU 58 CO 0.15 0.72 0.34 0.12 0.95 0.00 0.00 175.26 177.54 1rck s PHE 59 N -1.12 -0.66 0.07 4.83 5.36 -0.61 -4.48 117.98 121.37 1rck s PHE 59 Ca 0.21 0.94 -0.29 0.00 -0.96 0.00 0.00 56.93 56.83 1rck s PHE 59 Cb -0.13 0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.52 1rck s PHE 59 CO 0.10 -0.57 0.94 -1.25 -1.46 0.00 0.00 175.22 172.98 1rck s PRO 60 N 2.51 4.64 0.01 10.12 0.04 -1.26 -1.30 135.00 149.76 1rck s PRO 60 Ca 0.06 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1rck s PRO 60 Cb -0.14 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1rck s PRO 60 CO -0.13 0.15 0.01 1.51 0.04 0.00 0.00 177.00 178.58 1rck n ILE 61 N 3.09 0.00 -3.04 0.56 3.06 -1.03 -3.94 119.36 118.05 1rck n ILE 61 Ca 0.03 -0.05 -0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1rck n ILE 61 Cb 0.50 -0.69 0.00 0.00 0.54 0.00 0.00 39.64 39.99 1rck n ILE 61 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1rck n LYS 62 N -0.73 0.01 -1.82 9.51 4.76 -1.22 -4.71 118.16 123.96 1rck n LYS 62 Ca 0.00 -0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.02 1rck n LYS 62 Cb 0.01 0.02 -0.01 0.00 -1.84 0.00 0.00 35.03 33.21 1rck n LYS 62 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rck n SER 63 N -0.97 7.23 -1.24 4.39 2.88 -1.26 -4.15 113.62 120.50 1rck n SER 63 Ca -0.00 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 1rck n SER 63 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 64 N 2.76 0.92 3.01 0.46 0.00 -1.26 -5.09 105.19 105.99 1rck n GLY 64 Ca 0.62 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1rck n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 65 N -2.83 -0.83 0.53 -0.02 0.00 -1.26 -5.15 107.32 97.77 1rck s GLY 65 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 44.72 44.90 1rck s GLY 65 CO 0.00 3.29 1.26 0.14 0.00 0.00 0.00 173.10 177.80 1rck s VAL 66 N 2.48 2.51 0.00 1.40 1.01 -1.26 -3.45 120.40 123.09 1rck s VAL 66 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1rck s VAL 66 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1rck s VAL 66 CO -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 174.83 1rck n TYR 67 N -1.01 -1.25 -2.57 5.22 9.36 -1.25 -4.65 117.16 121.02 1rck n TYR 67 Ca 0.10 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.89 1rck n TYR 67 Cb 0.47 0.14 -0.02 0.00 -0.63 0.00 0.00 39.34 39.30 1rck n TYR 67 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1rck s THR 68 N 0.00 4.34 0.00 2.97 -4.23 -1.26 -4.49 115.64 112.97 1rck s THR 68 Ca 0.00 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1rck s THR 68 Cb 0.00 -4.37 0.00 0.00 1.34 0.00 0.00 72.50 69.47 1rck s THR 68 CO 0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1rck n GLY 69 N 4.17 0.66 3.01 3.99 0.00 -1.26 -4.92 105.19 110.85 1rck n GLY 69 Ca 0.13 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 3.98 3.19 -0.02 0.00 -1.26 -4.60 105.19 111.48 1rck n GLY 70 Ca 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 6.16 -7.27 -4.57 1.61 7.64 -1.26 -4.88 113.62 111.05 1rck n SER 71 Ca 0.48 -0.24 -0.35 0.00 1.01 0.00 0.00 58.87 59.77 1rck n SER 71 Cb 0.40 -4.68 -0.04 0.00 -1.01 0.00 0.00 64.21 58.89 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 -3.37 3.17 -0.46 1.43 0.04 -1.26 -4.81 135.00 129.74 1rck s PRO 72 Ca 0.01 -1.16 0.04 0.00 0.04 0.00 0.00 61.00 59.93 1rck s PRO 72 Cb -0.00 -5.31 0.62 0.00 0.04 0.00 0.00 34.50 29.85 1rck s PRO 72 CO 0.78 -2.95 1.87 0.41 0.04 0.00 0.00 177.00 177.15 1rck n GLY 73 N 6.23 4.77 1.70 0.56 0.00 -1.26 -4.75 105.19 112.44 1rck n GLY 73 Ca 0.42 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.11 0.42 -2.04 4.61 0.00 -1.26 -4.78 120.51 116.34 1rck n ALA 74 Ca 0.57 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.59 1rck n ALA 74 Cb 1.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.88 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 -0.94 5.86 -0.09 0.00 -4.77 -1.26 -2.44 116.67 113.03 1rck s ASP 75 Ca 0.00 1.14 0.01 0.00 -3.30 0.00 0.00 52.55 50.40 1rck s ASP 75 Cb 0.00 -2.53 0.02 0.00 -1.09 0.00 0.00 42.92 39.32 1rck s ASP 75 CO 0.00 -1.76 -0.11 -0.13 0.70 0.00 0.00 175.17 173.86 1rck s ARG 76 N 5.75 1.74 0.07 2.11 1.81 -0.30 -2.47 118.95 127.66 1rck s ARG 76 Ca 0.76 -0.39 -0.11 0.00 -1.72 0.00 0.00 55.73 54.27 1rck s ARG 76 Cb -0.20 -1.54 -0.06 0.00 -0.45 0.00 0.00 34.95 32.69 1rck s ARG 76 CO 0.32 -0.08 0.41 0.14 -0.68 0.00 0.00 175.30 175.41 1rck s VAL 77 N 1.03 5.07 -0.04 3.52 -7.23 -0.42 -1.81 120.40 120.52 1rck s VAL 77 Ca -0.07 0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1rck s VAL 77 Cb -0.15 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.16 1rck s VAL 77 CO -0.01 0.34 0.01 -0.69 -0.31 0.00 0.00 175.10 174.43 1rck s VAL 78 N -1.35 0.18 0.43 1.32 1.01 -0.89 -1.57 120.40 119.54 1rck s VAL 78 Ca 0.32 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1rck s VAL 78 Cb -0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1rck s VAL 78 CO 0.17 0.17 0.19 0.27 0.00 0.00 0.00 175.10 175.90 1rck s ILE 79 N 1.29 2.17 0.63 2.22 -4.36 -0.39 -2.04 121.20 120.72 1rck s ILE 79 Ca -0.06 -1.69 -0.07 0.00 -0.26 0.00 0.00 60.65 58.57 1rck s ILE 79 Cb -0.13 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.74 1rck s ILE 79 CO -0.02 0.00 0.95 0.21 0.24 0.00 0.00 174.94 176.32 1rck s ASN 80 N -3.94 5.39 -0.00 4.36 2.47 0.19 -0.37 114.94 123.04 1rck s ASN 80 Ca 0.38 0.71 -0.05 0.00 0.42 0.00 0.00 52.86 54.32 1rck s ASN 80 Cb 0.03 -1.60 -0.22 0.00 -1.45 0.00 0.00 41.25 38.02 1rck s ASN 80 CO 0.21 -1.23 3.33 1.07 -3.72 0.00 0.00 177.10 176.76 1rck n THR 81 N -2.72 2.82 0.00 -5.21 5.66 -0.97 -3.84 114.28 110.02 1rck n THR 81 Ca 0.06 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.73 1rck n THR 81 Cb 0.58 -1.91 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 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 2.31 0.00 0.00 1.09 5.15 -1.26 -5.06 115.26 117.49 1rck n ASN 82 Ca 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1rck n ASN 82 Cb 0.84 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rck s GLU 84 N 0.00 4.33 -0.08 0.00 0.41 -1.26 -4.85 118.70 117.25 1rck s GLU 84 Ca 0.00 1.39 -0.29 0.00 -0.41 0.00 0.00 54.97 55.66 1rck s GLU 84 Cb 0.00 -3.60 -0.06 0.00 -1.78 0.00 0.00 34.13 28.69 1rck s GLU 84 CO 0.00 -0.50 1.89 -0.47 -0.49 0.00 0.00 175.26 175.69 1rck s TYR 85 N 2.69 1.55 -0.18 1.61 5.04 -1.26 -0.64 117.35 126.17 1rck s TYR 85 Ca 0.47 0.05 -0.17 0.00 -2.44 0.00 0.00 57.07 54.97 1rck s TYR 85 Cb -0.17 -4.07 -0.14 0.00 0.35 0.00 0.00 41.96 37.93 1rck s TYR 85 CO 0.12 -4.46 0.13 0.00 -1.34 0.00 0.00 175.55 170.00 1rck h ALA 86 N 11.27 0.15 -1.07 3.97 0.00 -1.78 -3.47 119.26 128.34 1rck h ALA 86 Ca -0.43 -0.89 0.25 0.00 0.00 0.00 0.00 54.91 53.84 1rck h ALA 86 Cb 1.21 0.58 -0.27 0.00 0.00 0.00 0.00 17.79 19.31 1rck h ALA 86 CO 0.96 0.56 0.95 0.20 0.00 0.00 0.00 179.25 181.91 1rck s GLY 87 N -4.56 0.05 -0.16 0.00 0.00 -0.87 -4.67 107.32 97.12 1rck s GLY 87 Ca -0.23 2.73 -0.05 0.00 0.00 0.00 0.00 44.72 47.18 1rck s GLY 87 CO 0.46 1.06 0.00 0.00 0.00 0.00 0.00 173.10 174.63 1rck s ALA 88 N -1.12 3.16 0.22 3.20 0.00 -1.26 -2.09 121.76 123.87 1rck s ALA 88 Ca 0.09 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.36 1rck s ALA 88 Cb -0.01 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1rck s ALA 88 CO -0.07 0.22 -0.20 0.96 0.00 0.00 0.00 175.76 176.67 1rck s ILE 89 N 0.31 2.17 -0.11 0.00 -4.36 -0.75 -1.27 121.20 117.19 1rck s ILE 89 Ca -0.01 -2.17 -0.24 0.00 -0.26 0.00 0.00 60.65 57.97 1rck s ILE 89 Cb -0.13 -2.11 0.06 0.00 1.25 0.00 0.00 42.46 41.53 1rck s ILE 89 CO 0.02 -0.34 0.59 0.28 0.24 0.00 0.00 174.94 175.72 1rck s THR 90 N -2.27 0.01 -1.44 8.37 -1.32 -0.29 -1.15 115.64 117.56 1rck s THR 90 Ca 0.23 -0.08 -0.10 0.00 -1.21 0.00 0.00 61.69 60.53 1rck s THR 90 Cb -0.05 -0.87 0.05 0.00 -1.51 0.00 0.00 72.50 70.11 1rck s THR 90 CO 0.10 -0.05 2.40 1.41 -2.21 0.00 0.00 174.62 176.27 1rck n HIS 91 N 1.69 2.87 -0.21 9.09 8.25 -1.02 -2.05 115.22 133.84 1rck n HIS 91 Ca -0.17 -2.94 0.02 0.00 -0.26 0.00 0.00 57.72 54.37 1rck n HIS 91 Cb 0.56 -2.25 0.13 0.00 1.12 0.00 0.00 29.99 29.55 1rck n HIS 91 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1rck h THR 92 N 3.35 0.60 0.00 1.59 2.02 -1.86 -3.44 112.91 115.17 1rck h THR 92 Ca 0.65 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.74 1rck h THR 92 Cb 0.46 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1rck h THR 92 CO 1.71 0.05 0.00 0.61 0.37 0.00 0.00 175.52 178.26 1rck n GLY 93 N -1.33 -0.65 3.55 2.16 0.00 -1.26 -5.04 105.19 102.63 1rck n GLY 93 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.46 0.00 -2.77 4.61 0.00 -1.26 -3.41 120.51 115.22 1rck n ALA 94 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1rck n ALA 94 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.47 -3.38 0.00 0.00 7.64 -1.26 -5.01 113.62 113.08 1rck n SER 95 Ca 0.00 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1rck n SER 95 Cb 0.00 1.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 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 2.87 1.38 0.00 0.23 0.00 -1.22 -2.50 105.19 105.95 1rck n GLY 96 Ca 0.18 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.50 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 10.45 0.00 -4.70 1.61 3.02 -1.26 -4.89 115.26 119.49 1rck n ASN 97 Ca 0.00 -0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.13 1rck n ASN 97 Cb 0.00 -0.29 0.14 0.00 -0.61 0.00 0.00 39.78 39.02 1rck n ASN 97 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rck s ASN 98 N -2.59 3.44 0.36 6.41 -0.87 -1.04 -4.98 114.94 115.67 1rck s ASN 98 Ca 0.28 1.97 0.07 0.00 -1.57 0.00 0.00 52.86 53.61 1rck s ASN 98 Cb 0.20 -2.51 -0.07 0.00 -0.02 0.00 0.00 41.25 38.85 1rck s ASN 98 CO 0.46 -2.73 -0.03 -0.36 -2.57 0.00 0.00 177.10 171.87 1rck s PHE 99 N -2.76 2.33 0.17 2.20 0.08 -1.26 -4.45 117.98 114.29 1rck s PHE 99 Ca 0.64 -0.65 -0.07 0.00 0.12 0.00 0.00 56.93 56.97 1rck s PHE 99 Cb -0.20 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1rck s PHE 99 CO 0.57 0.42 0.25 0.14 -0.10 0.00 0.00 175.22 176.50 1rck s VAL 100 N -2.79 0.06 -0.03 -0.44 -7.23 -0.87 -4.93 120.40 104.17 1rck s VAL 100 Ca 0.34 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1rck s VAL 100 Cb 0.06 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1rck s VAL 100 CO 0.16 -0.28 0.17 -0.83 -0.31 0.00 0.00 175.10 174.02 1rck s GLY 101 N -3.00 2.17 0.44 2.32 0.00 -1.26 -1.13 107.32 106.86 1rck s GLY 101 Ca 0.20 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1rck s GLY 101 CO 0.02 -0.60 0.65 0.00 0.00 0.00 0.00 173.10 173.17 1rck n SER 103 N -2.04 -0.08 -3.10 0.00 3.41 -1.13 -1.21 113.62 109.47 1rck n SER 103 Ca 0.02 -0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.38 1rck n SER 103 Cb 0.58 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 104 N -0.76 -0.94 3.82 5.00 0.00 -1.26 -4.96 105.19 106.09 1rck n GLY 104 Ca -0.00 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.35 4.31 -2.00 2.61 -1.32 -0.35 -5.15 115.64 110.39 1rck s THR 105 Ca 0.39 1.34 0.24 0.00 -1.21 0.00 0.00 61.69 62.46 1rck s THR 105 Cb -0.05 -3.60 0.70 0.00 -1.51 0.00 0.00 72.50 68.04 1rck s THR 105 CO 0.67 -0.41 1.82 0.59 -2.21 0.00 0.00 174.62 175.09