#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rck n ALA 3 N 0.00 -1.61 -3.77 -1.46 0.00 -1.26 -4.89 120.51 107.51 1rck n ALA 3 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1rck n ALA 3 Cb 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.00 1.31 -0.71 0.00 -4.23 -1.08 -4.63 115.64 103.30 1rck s THR 4 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.35 1rck s THR 4 Cb 0.00 -1.95 0.17 0.00 1.34 0.00 0.00 72.50 72.06 1rck s THR 4 CO 0.00 -0.75 0.69 -0.89 -0.54 0.00 0.00 174.62 173.13 1rck s THR 5 N 1.01 5.35 -1.23 3.99 2.01 -1.26 -1.51 115.64 123.99 1rck s THR 5 Ca 0.13 -1.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.08 1rck s THR 5 Cb -0.20 -4.44 0.19 0.00 0.01 0.00 0.00 72.50 68.05 1rck s THR 5 CO -0.13 -1.01 1.67 0.00 -0.69 0.00 0.00 174.62 174.46 1rck n GLY 7 N 3.05 2.06 0.12 0.00 0.00 -1.26 -2.86 105.19 106.29 1rck n GLY 7 Ca 0.37 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 7.00 2.04 -4.58 1.61 7.64 -1.26 -4.89 113.62 121.17 1rck n SER 8 Ca 0.00 -0.12 -0.41 0.00 1.01 0.00 0.00 58.87 59.35 1rck n SER 8 Cb 0.00 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.48 3.63 -0.11 0.44 2.01 -1.14 -4.99 115.64 113.00 1rck s THR 9 Ca -0.31 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 1rck s THR 9 Cb 0.08 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 1rck s THR 9 CO 0.57 -0.89 -0.08 0.21 -0.69 0.00 0.00 174.62 173.74 1rck s ASN 10 N 5.62 4.46 0.11 3.53 2.47 -1.26 -1.20 114.94 128.67 1rck s ASN 10 Ca 0.63 -0.15 0.09 0.00 0.42 0.00 0.00 52.86 53.85 1rck s ASN 10 Cb -0.14 -1.43 -0.04 0.00 -1.45 0.00 0.00 41.25 38.19 1rck s ASN 10 CO 0.27 0.25 -0.23 -0.31 -3.72 0.00 0.00 177.10 173.36 1rck s TYR 11 N -0.15 1.95 0.62 0.43 2.02 -0.57 -4.87 117.35 116.79 1rck s TYR 11 Ca 0.01 -0.41 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 1rck s TYR 11 Cb -0.13 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1rck s TYR 11 CO 0.03 0.24 1.08 -1.12 -1.57 0.00 0.00 175.55 174.21 1rck s SER 12 N -1.94 5.51 0.62 2.29 0.01 -1.26 -2.62 113.70 116.32 1rck s SER 12 Ca 0.09 1.86 0.40 0.00 1.31 0.00 0.00 55.95 59.61 1rck s SER 12 Cb -0.10 -2.54 2.18 0.00 0.21 0.00 0.00 66.02 65.77 1rck s SER 12 CO 0.05 -1.35 2.22 0.00 0.41 0.00 0.00 173.24 174.57 1rck h ALA 13 N 0.20 1.04 -0.20 1.44 0.00 -1.93 0.26 119.26 120.08 1rck h ALA 13 Ca -0.47 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1rck h ALA 13 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1rck h ALA 13 CO 0.56 -0.04 -0.63 1.03 0.00 0.00 0.00 179.25 180.17 1rck h SER 14 N 0.00 0.89 0.10 0.00 0.87 -1.99 -2.73 113.55 110.69 1rck h SER 14 Ca 0.00 -0.59 -0.15 0.00 -1.23 0.00 0.00 61.79 59.82 1rck h SER 14 Cb 0.09 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1rck h SER 14 CO 0.00 1.33 -0.53 1.56 -0.53 0.00 0.00 176.83 178.66 1rck h GLN 15 N 0.51 0.47 -0.19 2.24 1.08 -1.31 -0.03 115.11 117.89 1rck h GLN 15 Ca -0.02 -0.29 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1rck h GLN 15 Cb 1.25 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1rck h GLN 15 CO 0.13 0.88 0.11 0.28 -0.95 0.00 0.00 178.83 179.29 1rck h VAL 16 N 0.37 1.02 -0.52 -0.54 2.07 -1.47 -0.36 116.25 116.82 1rck h VAL 16 Ca 0.01 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1rck h VAL 16 Cb 1.05 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1rck h VAL 16 CO 0.09 0.04 -0.02 -0.09 0.02 0.00 0.00 177.57 177.62 1rck h ARG 17 N 0.23 0.89 0.34 1.57 2.43 -1.35 -1.07 114.38 117.42 1rck h ARG 17 Ca 0.07 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1rck h ARG 17 Cb -0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1rck h ARG 17 CO -0.03 0.89 -0.16 0.00 -1.51 0.00 0.00 179.97 179.16 1rck h ALA 18 N 1.16 -0.46 -0.13 2.80 0.00 -0.65 -0.63 119.26 121.35 1rck h ALA 18 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rck h ALA 18 Cb 0.51 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1rck h ALA 18 CO 0.03 -0.58 0.06 0.00 0.00 0.00 0.00 179.25 178.76 1rck h ALA 19 N -0.33 1.87 -0.03 0.00 0.00 -1.11 -1.99 119.26 117.67 1rck h ALA 19 Ca -0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1rck h ALA 19 Cb 0.52 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1rck h ALA 19 CO 0.08 0.11 -0.49 0.00 0.00 0.00 0.00 179.25 178.94 1rck h ALA 20 N 1.89 0.10 0.00 0.00 0.00 -1.11 -0.99 119.26 119.15 1rck h ALA 20 Ca 0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1rck h ALA 20 Cb 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rck h ALA 20 CO -0.01 0.30 -0.01 -0.97 0.00 0.00 0.00 179.25 178.56 1rck h ASN 21 N -0.12 0.00 0.02 0.00 -1.24 -0.76 0.34 115.58 113.82 1rck h ASN 21 Ca -0.05 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1rck h ASN 21 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1rck h ASN 21 CO 0.10 0.01 -0.01 0.00 -1.29 0.00 0.00 177.43 176.24 1rck h ALA 22 N 1.99 -0.03 -0.86 1.57 0.00 -1.23 -2.87 119.26 117.82 1rck h ALA 22 Ca -0.00 -0.37 0.22 0.00 0.00 0.00 0.00 54.91 54.76 1rck h ALA 22 Cb 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1rck h ALA 22 CO 0.00 -0.08 0.60 0.00 0.00 0.00 0.00 179.25 179.77 1rck h ALA 23 N -0.05 2.51 0.19 0.00 0.00 -0.42 -0.80 119.26 120.69 1rck h ALA 23 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rck h ALA 23 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rck h ALA 23 CO 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 179.25 178.39 1rck h GLN 25 N -0.80 0.95 -0.05 0.00 1.08 -1.17 -2.24 115.11 112.88 1rck h GLN 25 Ca -0.03 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 56.98 1rck h GLN 25 Cb 0.52 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1rck h GLN 25 CO 0.04 0.63 -0.52 -0.92 -0.95 0.00 0.00 178.83 177.12 1rck h TYR 26 N 0.98 0.62 -0.82 2.96 3.20 -1.25 0.22 116.97 122.89 1rck h TYR 26 Ca 0.32 -0.30 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1rck h TYR 26 Cb 0.02 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 1rck h TYR 26 CO -0.03 1.09 0.53 -0.92 -1.64 0.00 0.00 178.16 177.19 1rck h TYR 27 N -0.02 0.74 0.12 -3.82 5.03 -0.71 -2.95 116.97 115.37 1rck h TYR 27 Ca -0.05 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 1rck h TYR 27 Cb 1.19 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1rck h TYR 27 CO 0.13 0.32 -0.06 1.96 -1.32 0.00 0.00 178.16 179.19 1rck h GLN 28 N 0.67 -0.16 0.00 1.82 4.20 -1.40 -3.49 115.11 116.75 1rck h GLN 28 Ca 0.39 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1rck h GLN 28 Cb 0.59 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1rck h GLN 28 CO -0.16 -0.11 0.00 0.27 -0.67 0.00 0.00 178.83 178.17 1rck n ASN 29 N -2.88 0.00 -2.79 1.46 6.94 -0.83 -5.07 115.26 112.09 1rck n ASN 29 Ca -0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.27 1rck n ASN 29 Cb 0.06 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1rck n ASP 30 N 0.00 7.01 0.00 0.53 2.03 0.01 -4.37 116.55 121.76 1rck n ASP 30 Ca 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1rck n ASP 30 Cb 0.00 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 38.96 1rck n ASP 30 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1rck n ASP 31 N 3.20 0.00 -3.72 1.67 5.75 -1.26 -4.58 116.55 117.61 1rck n ASP 31 Ca 0.61 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.98 1rck n ASP 31 Cb 0.48 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1rck n THR 32 N 0.00 5.46 -0.34 2.12 -2.24 -1.26 -4.26 114.28 113.75 1rck n THR 32 Ca 0.00 -5.32 0.00 0.00 -2.27 0.00 0.00 64.05 56.46 1rck n THR 32 Cb 0.00 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 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 1.30 0.00 -0.29 6.98 0.00 -1.26 -4.92 120.51 122.32 1rck n ALA 33 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1rck n ALA 33 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 5.00 2.77 0.00 0.00 0.00 -1.26 -4.78 105.19 106.91 1rck n GLY 34 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1rck n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 35 N 3.94 0.00 0.00 1.61 2.88 -1.26 -5.11 113.62 115.68 1rck n SER 35 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rck n SER 35 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1rck n SER 36 N 0.00 0.00 -1.37 -3.46 7.64 -1.26 -4.96 113.62 110.20 1rck n SER 36 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rck n SER 36 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.58 1.71 0.00 0.44 -2.24 -1.26 -4.36 114.28 106.99 1rck n THR 37 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1rck n THR 37 Cb 0.00 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1rck n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rck n TYR 38 N 1.24 0.00 -2.39 4.78 0.18 -1.26 -4.59 117.16 115.12 1rck n TYR 38 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1rck n TYR 38 Cb 0.49 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.43 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1rck s PRO 39 N 0.00 4.35 -0.05 -3.48 0.04 -1.26 -4.36 135.00 130.24 1rck s PRO 39 Ca 0.00 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.65 1rck s PRO 39 Cb 0.00 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1rck s PRO 39 CO 0.00 -0.44 0.37 -3.38 0.04 0.00 0.00 177.00 173.59 1rck s HIS 40 N 2.01 -0.29 0.33 0.56 -3.43 -1.26 -4.97 115.29 108.25 1rck s HIS 40 Ca 0.58 0.56 -0.29 0.00 -0.80 0.00 0.00 55.06 55.12 1rck s HIS 40 Cb -0.27 0.14 -0.10 0.00 -1.43 0.00 0.00 32.58 30.91 1rck s HIS 40 CO 0.25 -0.36 1.37 0.99 -2.00 0.00 0.00 174.74 174.98 1rck s THR 41 N -0.90 2.55 0.05 -5.38 2.01 -1.26 -2.51 115.64 110.19 1rck s THR 41 Ca -0.10 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 1rck s THR 41 Cb -0.04 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1rck s THR 41 CO 0.04 0.12 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.35 1rck s TYR 42 N -1.00 0.47 0.37 4.92 1.13 -1.08 -4.95 117.35 117.20 1rck s TYR 42 Ca 0.51 -0.97 -0.08 0.00 -1.41 0.00 0.00 57.07 55.12 1rck s TYR 42 Cb -0.42 -0.35 0.03 0.00 -1.10 0.00 0.00 41.96 40.13 1rck s TYR 42 CO 0.54 -0.36 0.63 -1.71 -2.51 0.00 0.00 175.55 172.15 1rck n ASN 43 N 0.33 -1.80 -0.48 -0.18 2.85 -1.26 -4.82 115.26 109.91 1rck n ASN 43 Ca -0.16 -2.75 0.06 0.00 -0.11 0.00 0.00 54.58 51.63 1rck n ASN 43 Cb 0.60 3.14 -0.03 0.00 1.24 0.00 0.00 39.78 44.73 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1rck n ASN 44 N -1.57 -2.78 -2.88 1.20 4.13 -1.26 -5.03 115.26 107.07 1rck n ASN 44 Ca -0.04 0.40 -0.02 0.00 1.68 0.00 0.00 54.58 56.61 1rck n ASN 44 Cb 0.59 -1.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.23 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1rck n TYR 45 N -2.97 -2.84 -1.52 3.10 4.01 -1.26 -5.01 117.16 110.66 1rck n TYR 45 Ca -0.02 1.10 -0.30 0.00 -0.16 0.00 0.00 57.90 58.51 1rck n TYR 45 Cb 0.23 -3.89 0.07 0.00 -0.31 0.00 0.00 39.34 35.44 1rck n TYR 45 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1rck s GLU 46 N -2.88 2.45 0.02 -0.72 8.01 -1.26 -4.90 118.70 119.41 1rck s GLU 46 Ca 0.05 0.83 0.00 0.00 0.01 0.00 0.00 54.97 55.86 1rck s GLU 46 Cb -0.01 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.86 1rck s GLU 46 CO 0.69 -1.41 0.00 0.41 0.01 0.00 0.00 175.26 174.96 1rck n GLY 47 N -1.94 -1.84 3.88 -1.39 0.00 -1.26 -5.13 105.19 97.52 1rck n GLY 47 Ca 0.07 0.66 -0.21 0.00 0.00 0.00 0.00 46.02 46.55 1rck n GLY 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rck s PHE 48 N -1.44 2.98 -0.08 1.61 -0.12 -1.26 -5.08 117.98 114.59 1rck s PHE 48 Ca 0.00 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 1rck s PHE 48 Cb 0.00 -1.80 0.02 0.00 -0.63 0.00 0.00 43.02 40.61 1rck s PHE 48 CO 0.00 0.18 -0.06 -0.51 -0.05 0.00 0.00 175.22 174.77 1rck s ASP 49 N -4.02 1.71 0.33 1.98 1.01 -1.26 -5.09 116.67 111.33 1rck s ASP 49 Ca 0.41 -0.22 -0.07 0.00 0.71 0.00 0.00 52.55 53.38 1rck s ASP 49 Cb -0.07 -0.68 -0.06 0.00 1.01 0.00 0.00 42.92 43.13 1rck s ASP 49 CO 0.27 -0.09 0.63 -0.36 0.21 0.00 0.00 175.17 175.84 1rck s PHE 50 N 1.36 3.47 0.13 4.23 0.08 -1.26 -4.85 117.98 121.14 1rck s PHE 50 Ca -0.03 0.80 -0.33 0.00 0.12 0.00 0.00 56.93 57.50 1rck s PHE 50 Cb -0.14 -2.24 -0.11 0.00 -0.57 0.00 0.00 43.02 39.97 1rck s PHE 50 CO -0.03 0.07 1.54 -1.35 -0.10 0.00 0.00 175.22 175.35 1rck h PRO 51 N 1.56 -0.38 -7.15 0.24 0.11 -1.97 -3.42 132.00 121.00 1rck h PRO 51 Ca -0.47 0.03 -0.47 0.00 0.11 0.00 0.00 66.00 65.19 1rck h PRO 51 Cb 1.19 0.09 0.03 0.00 0.11 0.00 0.00 31.00 32.41 1rck h PRO 51 CO 0.65 -0.25 0.37 0.14 -0.21 0.00 0.00 178.00 178.71 1rck s VAL 52 N -5.60 4.09 0.00 3.15 -7.23 -1.26 -5.05 120.40 108.50 1rck s VAL 52 Ca -0.14 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 1rck s VAL 52 Cb 0.08 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1rck s VAL 52 CO 0.60 -0.47 0.00 0.47 -0.31 0.00 0.00 175.10 175.39 1rck n ASP 53 N -1.47 0.00 -3.64 4.85 8.00 -1.26 -5.10 116.55 117.93 1rck n ASP 53 Ca 0.08 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.59 1rck n ASP 53 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1rck n ASP 53 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1rck s GLY 54 N -0.99 -0.36 0.87 0.44 0.00 -1.26 -4.72 107.32 101.30 1rck s GLY 54 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 44.72 45.17 1rck s GLY 54 CO 0.00 0.77 0.91 -1.05 0.00 0.00 0.00 173.10 173.74 1rck n PRO 55 N -0.54 -0.12 -3.70 2.90 -0.02 -1.26 -5.05 135.00 127.21 1rck n PRO 55 Ca -0.07 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.33 1rck n PRO 55 Cb 0.62 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1rck n PRO 55 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1rck s TYR 56 N -2.33 -0.55 0.17 6.00 5.04 -1.26 -3.71 117.35 120.71 1rck s TYR 56 Ca 0.66 1.19 0.10 0.00 -2.44 0.00 0.00 57.07 56.58 1rck s TYR 56 Cb -0.26 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.23 1rck s TYR 56 CO 0.58 -0.33 -0.19 -0.65 -1.34 0.00 0.00 175.55 173.62 1rck s GLN 57 N 1.44 1.71 0.14 4.97 -0.21 -0.95 -2.64 119.66 124.13 1rck s GLN 57 Ca -0.09 -1.36 -0.14 0.00 0.02 0.00 0.00 55.36 53.79 1rck s GLN 57 Cb -0.09 -1.99 -0.07 0.00 1.00 0.00 0.00 33.01 31.86 1rck s GLN 57 CO -0.12 0.43 0.54 -2.00 -2.12 0.00 0.00 175.29 172.02 1rck s GLU 58 N -2.52 3.97 -0.22 2.91 2.56 -1.05 -2.01 118.70 122.34 1rck s GLU 58 Ca 0.20 0.47 -0.03 0.00 0.00 0.00 0.00 54.97 55.61 1rck s GLU 58 Cb -0.09 -2.94 0.11 0.00 2.00 0.00 0.00 34.13 33.21 1rck s GLU 58 CO 0.11 0.49 0.29 0.12 -0.56 0.00 0.00 175.26 175.70 1rck s PHE 59 N -1.45 -0.51 0.31 5.30 5.36 -0.45 -4.00 117.98 122.53 1rck s PHE 59 Ca 0.37 0.46 -0.27 0.00 -0.96 0.00 0.00 56.93 56.53 1rck s PHE 59 Cb -0.15 -0.21 -0.09 0.00 -0.34 0.00 0.00 43.02 42.23 1rck s PHE 59 CO 0.19 -0.66 0.99 -1.25 -1.46 0.00 0.00 175.22 173.03 1rck s PRO 60 N 2.42 4.59 0.00 10.12 0.04 -1.26 -0.95 135.00 149.95 1rck s PRO 60 Ca 0.09 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1rck s PRO 60 Cb -0.16 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1rck s PRO 60 CO -0.14 0.25 0.00 1.51 0.04 0.00 0.00 177.00 178.66 1rck n ILE 61 N 0.79 0.00 -3.80 0.56 3.06 -1.04 -3.96 119.36 114.97 1rck n ILE 61 Ca 0.01 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.18 1rck n ILE 61 Cb 0.48 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.69 1rck n ILE 61 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1rck n LYS 62 N 0.00 1.03 -1.88 9.51 4.81 -1.19 -4.71 118.16 125.74 1rck n LYS 62 Ca 0.00 -2.06 -0.40 0.00 -0.87 0.00 0.00 58.31 54.98 1rck n LYS 62 Cb 0.00 2.60 -0.01 0.00 0.02 0.00 0.00 35.03 37.64 1rck n LYS 62 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1rck n SER 63 N -1.48 7.57 -0.14 3.14 2.88 -1.26 -4.20 113.62 120.13 1rck n SER 63 Ca -0.08 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 1rck n SER 63 Cb 0.58 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 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 2.41 0.76 3.15 0.46 0.00 -1.26 -5.01 105.19 105.70 1rck n GLY 64 Ca 0.62 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.02 -0.81 0.02 -0.02 0.00 -1.26 -5.14 107.32 98.09 1rck s GLY 65 Ca 0.00 2.26 -0.25 0.00 0.00 0.00 0.00 44.72 46.74 1rck s GLY 65 CO 0.00 4.08 0.76 0.54 0.00 0.00 0.00 173.10 178.48 1rck s VAL 66 N 2.96 4.79 -1.60 1.40 0.11 -1.26 -3.18 120.40 123.62 1rck s VAL 66 Ca 0.23 1.61 -0.08 0.00 -2.93 0.00 0.00 61.98 60.80 1rck s VAL 66 Cb -0.03 -4.11 0.08 0.00 -1.53 0.00 0.00 36.38 30.79 1rck s VAL 66 CO -0.21 0.34 0.39 0.00 -3.33 0.00 0.00 175.10 172.30 1rck n TYR 67 N 3.00 -1.46 -3.86 1.54 0.18 -1.25 -4.95 117.16 110.36 1rck n TYR 67 Ca -0.02 0.70 -0.10 0.00 1.88 0.00 0.00 57.90 60.37 1rck n TYR 67 Cb 0.50 -2.93 -0.06 0.00 -0.38 0.00 0.00 39.34 36.47 1rck n TYR 67 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1rck s THR 68 N -3.83 0.07 0.00 -3.48 -1.32 -1.26 -4.78 115.64 101.04 1rck s THR 68 Ca 0.31 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 1rck s THR 68 Cb -0.17 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 1rck s THR 68 CO 0.96 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.67 1rck n GLY 69 N -0.22 0.47 2.66 6.08 0.00 -1.26 -4.74 105.19 108.17 1rck n GLY 69 Ca -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.27 -1.79 0.04 -0.02 0.00 -1.26 -5.02 107.32 98.00 1rck s GLY 70 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 44.72 45.99 1rck s GLY 70 CO 0.00 4.46 0.00 1.44 0.00 0.00 0.00 173.10 179.00 1rck n SER 71 N 3.14 -0.21 -0.05 1.64 7.64 -1.26 -4.95 113.62 119.57 1rck n SER 71 Ca 0.06 0.07 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1rck n SER 71 Cb 0.66 0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 64.18 1rck n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1rck h PRO 72 N 0.00 0.37 -5.29 1.43 0.13 -2.03 -3.48 132.00 123.13 1rck h PRO 72 Ca 0.00 -0.23 -0.24 0.00 -0.87 0.00 0.00 66.00 64.66 1rck h PRO 72 Cb 0.00 0.02 0.18 0.00 0.13 0.00 0.00 31.00 31.34 1rck h PRO 72 CO 0.00 0.82 -0.78 0.41 -0.23 0.00 0.00 178.00 178.21 1rck n GLY 73 N 0.37 -0.91 1.51 1.56 0.00 -1.26 -4.97 105.19 101.49 1rck n GLY 73 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.22 3.00 -1.55 4.61 0.00 -1.26 -4.81 120.51 117.28 1rck n ALA 74 Ca -0.10 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.89 1rck n ALA 74 Cb 0.62 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 1rck n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rck n ASP 75 N -3.39 2.82 -3.67 0.00 8.00 -1.26 -2.36 116.55 116.68 1rck n ASP 75 Ca 0.00 0.23 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 1rck n ASP 75 Cb 0.04 -1.46 -0.12 0.00 -0.02 0.00 0.00 41.12 39.55 1rck n ASP 75 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rck s ARG 76 N 6.45 0.20 0.61 -1.24 0.52 -0.40 -2.48 118.95 122.61 1rck s ARG 76 Ca 1.04 0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 56.91 1rck s ARG 76 Cb -0.50 0.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 1rck s ARG 76 CO 0.39 -0.25 1.00 0.14 0.02 0.00 0.00 175.30 176.60 1rck s VAL 77 N 2.21 4.56 -0.04 3.52 -7.23 -0.13 -1.76 120.40 121.54 1rck s VAL 77 Ca -0.02 0.72 -0.01 0.00 -1.81 0.00 0.00 61.98 60.86 1rck s VAL 77 Cb -0.12 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.05 1rck s VAL 77 CO -0.09 -1.03 0.07 -0.69 -0.31 0.00 0.00 175.10 173.05 1rck s VAL 78 N -3.14 -0.09 0.46 1.32 1.01 -0.70 -1.35 120.40 117.92 1rck s VAL 78 Ca 0.54 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1rck s VAL 78 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1rck s VAL 78 CO 0.52 0.11 0.10 0.27 0.00 0.00 0.00 175.10 176.10 1rck s ILE 79 N 1.45 1.74 0.00 2.22 -4.36 -0.85 -2.61 121.20 118.80 1rck s ILE 79 Ca -0.05 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1rck s ILE 79 Cb -0.12 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.98 1rck s ILE 79 CO -0.04 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 174.68 1rck n ASN 80 N -1.23 -0.02 -2.15 4.36 6.94 0.01 -2.23 115.26 120.93 1rck n ASN 80 Ca -0.09 -0.48 -0.27 0.00 -0.02 0.00 0.00 54.58 53.72 1rck n ASN 80 Cb 0.66 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.16 1rck n ASN 80 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1rck n THR 81 N -1.01 3.25 0.00 5.53 -1.04 -1.24 -4.26 114.28 115.51 1rck n THR 81 Ca 0.00 -2.32 0.00 0.00 -2.04 0.00 0.00 64.05 59.69 1rck n THR 81 Cb 0.00 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1rck n THR 81 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1rck n ASN 82 N -0.59 0.00 -2.72 8.00 5.15 -1.26 -5.07 115.26 118.77 1rck n ASN 82 Ca 0.52 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.42 1rck n ASN 82 Cb 0.81 0.08 0.08 0.00 -0.53 0.00 0.00 39.78 40.22 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 0.37 0.15 0.01 0.00 2.12 -1.26 -4.98 118.70 115.10 1rck s GLU 84 Ca 0.25 0.76 -0.30 0.00 0.36 0.00 0.00 54.97 56.04 1rck s GLU 84 Cb 0.27 -0.02 -0.07 0.00 0.26 0.00 0.00 34.13 34.57 1rck s GLU 84 CO -0.13 -0.28 1.66 -0.47 -0.54 0.00 0.00 175.26 175.49 1rck s TYR 85 N 2.41 2.17 -0.21 5.30 6.14 -1.26 -0.81 117.35 131.09 1rck s TYR 85 Ca 0.01 0.24 0.02 0.00 0.64 0.00 0.00 57.07 57.99 1rck s TYR 85 Cb -0.12 -3.94 -0.14 0.00 0.42 0.00 0.00 41.96 38.18 1rck s TYR 85 CO -0.09 -3.88 -0.17 0.00 0.64 0.00 0.00 175.55 172.05 1rck n ALA 86 N 6.40 1.55 -3.28 3.97 0.00 -1.08 -4.93 120.51 123.15 1rck n ALA 86 Ca 0.17 -0.91 0.04 0.00 0.00 0.00 0.00 53.44 52.73 1rck n ALA 86 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1rck n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 87 N 2.46 0.74 3.03 0.00 0.00 -1.07 -4.61 105.19 105.73 1rck n GLY 87 Ca -0.37 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.30 -0.38 0.23 4.61 0.00 -1.26 -1.71 121.76 121.95 1rck s ALA 88 Ca 0.08 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1rck s ALA 88 Cb -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1rck s ALA 88 CO 0.00 -0.08 0.02 0.96 0.00 0.00 0.00 175.76 176.67 1rck s ILE 89 N 0.19 0.86 -0.05 0.00 -4.36 -0.72 -1.93 121.20 115.19 1rck s ILE 89 Ca -0.01 -2.01 -0.31 0.00 -0.26 0.00 0.00 60.65 58.06 1rck s ILE 89 Cb -0.02 -2.39 0.07 0.00 1.25 0.00 0.00 42.46 41.37 1rck s ILE 89 CO -0.00 -0.27 0.70 0.28 0.24 0.00 0.00 174.94 175.89 1rck s THR 90 N -3.54 0.00 -0.83 8.37 -1.32 0.02 -1.27 115.64 117.07 1rck s THR 90 Ca 0.30 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.70 1rck s THR 90 Cb 0.06 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.88 1rck s THR 90 CO 0.09 0.00 3.20 1.41 -2.21 0.00 0.00 174.62 177.11 1rck n HIS 91 N 0.89 1.23 0.00 9.09 8.25 -1.00 -1.99 115.22 131.70 1rck n HIS 91 Ca -0.19 -2.27 0.00 0.00 -0.26 0.00 0.00 57.72 55.00 1rck n HIS 91 Cb 0.57 -2.02 0.00 0.00 1.12 0.00 0.00 29.99 29.66 1rck n HIS 91 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1rck n THR 92 N 3.10 0.00 1.97 1.59 -1.04 -1.26 -4.43 114.28 114.21 1rck n THR 92 Ca 0.60 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.66 1rck n THR 92 Cb 0.54 -0.01 0.28 0.00 -1.82 0.00 0.00 70.33 69.32 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rck n GLY 93 N 2.77 -0.95 3.71 3.41 0.00 -1.26 -4.90 105.19 107.97 1rck n GLY 93 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.99 1.65 0.03 4.61 0.00 -1.26 -4.99 121.76 119.81 1rck s ALA 94 Ca 0.15 0.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 1rck s ALA 94 Cb 0.07 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.77 1rck s ALA 94 CO 0.11 -2.30 1.43 1.03 0.00 0.00 0.00 175.76 176.02 1rck h SER 95 N -1.52 0.13 0.00 0.00 0.87 -1.90 -3.48 113.55 107.64 1rck h SER 95 Ca -0.47 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1rck h SER 95 Cb 1.27 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1rck h SER 95 CO 0.51 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1rck n GLY 96 N -0.16 0.17 0.11 5.77 0.00 -1.26 -4.98 105.19 104.84 1rck n GLY 96 Ca -0.07 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1rck n GLY 96 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rck h ASN 97 N 0.00 0.21 -1.77 1.61 4.21 -2.00 -3.48 115.58 114.36 1rck h ASN 97 Ca 0.00 -0.75 -0.05 0.00 1.21 0.00 0.00 56.30 56.71 1rck h ASN 97 Cb 0.00 -0.07 0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1rck h ASN 97 CO 0.00 1.55 0.02 -0.46 -1.29 0.00 0.00 177.43 177.25 1rck n ASN 98 N -4.11 -1.04 -4.11 5.81 0.23 -1.26 -5.07 115.26 105.72 1rck n ASN 98 Ca -0.27 -0.62 -0.16 0.00 -0.53 0.00 0.00 54.58 53.00 1rck n ASN 98 Cb 0.81 -0.13 -0.10 0.00 -2.08 0.00 0.00 39.78 38.28 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1rck s PHE 99 N -1.26 1.45 0.07 -2.53 0.40 -1.26 -4.65 117.98 110.20 1rck s PHE 99 Ca 0.09 -1.34 -0.01 0.00 -0.60 0.00 0.00 56.93 55.07 1rck s PHE 99 Cb -0.01 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 1rck s PHE 99 CO 0.07 -0.53 -0.01 0.14 0.70 0.00 0.00 175.22 175.59 1rck s VAL 100 N -3.82 0.19 0.61 -0.44 -7.23 -0.84 -4.78 120.40 104.09 1rck s VAL 100 Ca 0.38 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 1rck s VAL 100 Cb 0.06 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.35 1rck s VAL 100 CO 0.15 -0.85 0.93 -0.83 -0.31 0.00 0.00 175.10 174.19 1rck s GLY 101 N -2.95 1.61 0.28 2.32 0.00 -1.26 -0.80 107.32 106.51 1rck s GLY 101 Ca 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1rck s GLY 101 CO -0.07 -0.36 0.14 0.00 0.00 0.00 0.00 173.10 172.81 1rck s SER 103 N -2.61 6.08 0.00 0.00 1.04 -1.06 -2.47 113.70 114.67 1rck s SER 103 Ca 0.10 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1rck s SER 103 Cb -0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1rck s SER 103 CO 0.07 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.33 1rck n GLY 104 N 5.20 1.39 2.95 7.32 0.00 -1.26 -4.45 105.19 116.35 1rck n GLY 104 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 -0.70 0.00 2.61 2.01 -1.03 -4.42 115.64 112.10 1rck s THR 105 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1rck s THR 105 Cb 0.00 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1rck s THR 105 CO 0.00 -0.24 0.00 -3.20 -0.69 0.00 0.00 174.62 170.49