#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 -1.43 -3.44 -1.46 0.00 -1.26 -4.84 120.51 108.08 1rck n ALA 3 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 1rck n ALA 3 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 1rck n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rck s THR 4 N -4.19 0.00 -0.06 0.00 -1.32 -1.07 -4.91 115.64 104.10 1rck s THR 4 Ca 0.00 -0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.44 1rck s THR 4 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1rck s THR 4 CO 0.00 -0.01 0.02 -0.89 -2.21 0.00 0.00 174.62 171.52 1rck s THR 5 N -2.81 0.23 -0.75 5.08 2.01 -1.26 -1.32 115.64 116.83 1rck s THR 5 Ca -0.03 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1rck s THR 5 Cb -0.01 -0.41 0.20 0.00 0.01 0.00 0.00 72.50 72.29 1rck s THR 5 CO -0.05 0.23 0.66 0.00 -0.69 0.00 0.00 174.62 174.77 1rck n GLY 7 N 3.95 1.33 0.10 0.00 0.00 -1.26 -2.10 105.19 107.21 1rck n GLY 7 Ca 0.10 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 10.07 1.12 -4.57 1.61 7.64 -1.26 -4.83 113.62 123.40 1rck n SER 8 Ca 0.00 0.24 -0.41 0.00 1.01 0.00 0.00 58.87 59.72 1rck n SER 8 Cb 0.00 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.56 3.64 0.32 0.44 2.01 -0.89 -5.00 115.64 113.60 1rck s THR 9 Ca -0.13 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1rck s THR 9 Cb 0.07 -4.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1rck s THR 9 CO 0.79 -1.17 0.68 0.20 -0.69 0.00 0.00 174.62 174.43 1rck s ASN 10 N 5.41 6.62 -0.05 3.53 -0.87 -1.26 -1.25 114.94 127.08 1rck s ASN 10 Ca 0.55 1.08 -0.03 0.00 -1.57 0.00 0.00 52.86 52.90 1rck s ASN 10 Cb -0.12 -2.29 0.02 0.00 -0.02 0.00 0.00 41.25 38.85 1rck s ASN 10 CO 0.23 -0.23 0.10 -0.31 -2.57 0.00 0.00 177.10 174.32 1rck s TYR 11 N -2.07 -0.11 0.57 2.20 2.02 -0.43 -4.83 117.35 114.70 1rck s TYR 11 Ca 0.50 0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 57.37 1rck s TYR 11 Cb -0.11 -0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 1rck s TYR 11 CO 0.24 -0.10 1.02 -1.12 -1.57 0.00 0.00 175.55 174.02 1rck s SER 12 N 0.68 6.15 0.46 2.29 0.01 -1.26 -2.59 113.70 119.45 1rck s SER 12 Ca -0.05 1.68 0.28 0.00 1.31 0.00 0.00 55.95 59.16 1rck s SER 12 Cb -0.07 -2.52 1.50 0.00 0.21 0.00 0.00 66.02 65.14 1rck s SER 12 CO -0.03 -0.91 1.83 0.00 0.41 0.00 0.00 173.24 174.54 1rck h ALA 13 N 0.55 1.08 -0.21 1.44 0.00 -1.91 -0.08 119.26 120.13 1rck h ALA 13 Ca -0.47 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1rck h ALA 13 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1rck h ALA 13 CO 0.59 -0.08 -0.34 0.77 0.00 0.00 0.00 179.25 180.20 1rck h SER 14 N 0.00 0.67 -0.08 0.00 0.02 -1.98 -2.66 113.55 109.51 1rck h SER 14 Ca 0.00 -0.52 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 1rck h SER 14 Cb 0.18 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1rck h SER 14 CO 0.00 1.06 -0.14 1.56 -1.14 0.00 0.00 176.83 178.17 1rck h GLN 15 N 0.30 0.24 -0.39 3.45 7.50 -1.37 -0.91 115.11 123.93 1rck h GLN 15 Ca 0.02 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.02 1rck h GLN 15 Cb 0.93 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.45 1rck h GLN 15 CO 0.08 0.73 0.26 0.28 -1.50 0.00 0.00 178.83 178.67 1rck h VAL 16 N -0.22 1.10 -0.45 -0.54 2.07 -1.60 -1.14 116.25 115.47 1rck h VAL 16 Ca 0.01 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1rck h VAL 16 Cb 0.72 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1rck h VAL 16 CO 0.03 0.10 -0.20 -0.09 0.02 0.00 0.00 177.57 177.44 1rck h ARG 17 N 0.53 0.93 -0.03 1.57 2.43 -1.53 -1.36 114.38 116.91 1rck h ARG 17 Ca 0.14 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1rck h ARG 17 Cb -0.05 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1rck h ARG 17 CO -0.03 1.05 0.01 0.00 -1.51 0.00 0.00 179.97 179.49 1rck h ALA 18 N 0.85 0.04 -0.42 2.80 0.00 -0.94 -0.02 119.26 121.57 1rck h ALA 18 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rck h ALA 18 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1rck h ALA 18 CO 0.06 -0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.04 1rck h ALA 19 N 0.81 1.37 -0.04 0.00 0.00 -1.22 -1.31 119.26 118.87 1rck h ALA 19 Ca 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1rck h ALA 19 Cb 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rck h ALA 19 CO -0.00 0.45 -0.89 0.00 0.00 0.00 0.00 179.25 178.81 1rck h ALA 20 N 1.49 0.16 0.00 0.00 0.00 -1.12 -1.10 119.26 118.68 1rck h ALA 20 Ca 0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1rck h ALA 20 Cb 0.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rck h ALA 20 CO -0.00 0.62 -0.06 -0.97 0.00 0.00 0.00 179.25 178.84 1rck h ASN 21 N 0.34 0.00 0.03 0.00 -1.24 -0.80 -0.72 115.58 113.19 1rck h ASN 21 Ca -0.10 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1rck h ASN 21 Cb 1.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.60 1rck h ASN 21 CO 0.18 0.06 -0.01 0.00 -1.29 0.00 0.00 177.43 176.36 1rck h ALA 22 N 1.94 -0.04 -0.91 1.57 0.00 -1.05 -2.87 119.26 117.90 1rck h ALA 22 Ca -0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1rck h ALA 22 Cb 0.31 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.95 1rck h ALA 22 CO 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 1rck h ALA 23 N -1.18 0.95 0.27 0.00 0.00 -1.08 0.03 119.26 118.25 1rck h ALA 23 Ca -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1rck h ALA 23 Cb 0.03 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rck h ALA 23 CO 0.01 -0.49 -0.17 0.00 0.00 0.00 0.00 179.25 178.60 1rck h GLN 25 N -0.42 0.00 -0.29 0.00 4.15 -1.21 -2.21 115.11 115.14 1rck h GLN 25 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1rck h GLN 25 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1rck h GLN 25 CO 0.04 0.03 0.00 0.98 -1.93 0.00 0.00 178.83 177.95 1rck n TYR 26 N -3.51 0.37 -2.74 3.99 9.36 -0.04 -4.37 117.16 120.21 1rck n TYR 26 Ca -0.02 -0.18 -0.10 0.00 3.32 0.00 0.00 57.90 60.91 1rck n TYR 26 Cb 0.14 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.89 1rck n TYR 26 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1rck n TYR 27 N 0.94 0.12 0.00 2.98 9.36 -0.80 -4.24 117.16 125.52 1rck n TYR 27 Ca 0.18 -2.73 0.00 0.00 3.32 0.00 0.00 57.90 58.66 1rck n TYR 27 Cb 0.47 0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1rck n TYR 27 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1rck n GLN 28 N -0.10 0.00 0.00 2.98 6.02 -1.24 -4.87 117.38 120.17 1rck n GLN 28 Ca 0.09 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1rck n GLN 28 Cb 0.80 -0.26 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1rck n GLN 28 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1rck n ASN 29 N -1.58 0.00 -3.86 1.08 4.13 -1.26 -5.01 115.26 108.77 1rck n ASN 29 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1rck n ASN 29 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1rck n ASP 30 N 0.00 5.25 0.00 6.41 2.03 -1.26 -4.44 116.55 124.54 1rck n ASP 30 Ca 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1rck n ASP 30 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 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 3.60 0.00 0.11 1.67 8.00 -1.26 -5.14 116.55 123.52 1rck n ASP 31 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1rck n ASP 31 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rck n THR 32 N 1.32 0.00 -1.00 -3.53 5.66 -1.26 -3.97 114.28 111.49 1rck n THR 32 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1rck n THR 32 Cb 0.00 -0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 68.51 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rck n ALA 33 N -3.11 -2.63 -1.36 1.79 0.00 -1.26 -4.47 120.51 109.48 1rck n ALA 33 Ca 0.00 0.60 -0.00 0.00 0.00 0.00 0.00 53.44 54.04 1rck n ALA 33 Cb 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.67 -3.29 2.34 0.00 0.00 -1.26 -4.71 105.19 94.60 1rck n GLY 34 Ca -0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1rck n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 35 N 0.28 1.16 0.00 1.61 7.64 -1.26 -4.19 113.62 118.86 1rck n SER 35 Ca -0.02 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1rck n SER 35 Cb 0.03 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rck n SER 36 N 0.16 0.00 -0.82 6.43 7.64 -1.26 -4.97 113.62 120.80 1rck n SER 36 Ca 0.21 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.05 1rck n SER 36 Cb 0.69 -0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.91 0.00 -3.64 0.44 5.66 -1.26 -5.10 114.28 108.48 1rck n THR 37 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1rck n THR 37 Cb 0.00 0.32 -0.06 0.00 -1.55 0.00 0.00 70.33 69.04 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 -0.47 0.07 1.09 1.51 -1.26 -4.50 117.35 113.79 1rck s TYR 38 Ca 0.00 0.93 -0.30 0.00 -1.01 0.00 0.00 57.07 56.69 1rck s TYR 38 Cb 0.00 0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 42.08 1rck s TYR 38 CO 0.00 -0.23 1.02 -1.25 -1.11 0.00 0.00 175.55 173.98 1rck s PRO 39 N 1.30 4.59 0.06 -1.71 0.04 -1.26 -4.42 135.00 133.61 1rck s PRO 39 Ca -0.09 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 1rck s PRO 39 Cb -0.03 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1rck s PRO 39 CO -0.14 0.03 0.11 -3.38 0.04 0.00 0.00 177.00 173.66 1rck s HIS 40 N 0.52 0.25 0.18 0.56 -3.43 -1.24 -4.93 115.29 107.19 1rck s HIS 40 Ca 0.51 -0.66 -0.33 0.00 -0.80 0.00 0.00 55.06 53.78 1rck s HIS 40 Cb -0.24 -0.16 -0.14 0.00 -1.43 0.00 0.00 32.58 30.61 1rck s HIS 40 CO 0.30 -0.44 1.56 2.41 -2.00 0.00 0.00 174.74 176.56 1rck n THR 41 N 0.27 0.19 -2.66 -5.38 -1.04 -1.26 -2.07 114.28 102.33 1rck n THR 41 Ca -0.16 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 1rck n THR 41 Cb 0.61 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.53 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1rck s TYR 42 N 0.73 3.36 0.33 -1.42 5.04 -0.54 -4.82 117.35 120.03 1rck s TYR 42 Ca 0.76 1.48 -0.01 0.00 -2.44 0.00 0.00 57.07 56.86 1rck s TYR 42 Cb -0.66 -3.26 -0.00 0.00 0.35 0.00 0.00 41.96 38.39 1rck s TYR 42 CO 0.40 -0.47 0.43 0.54 -1.34 0.00 0.00 175.55 175.11 1rck s ASN 43 N 1.21 0.96 -0.64 4.32 4.22 -1.26 -4.72 114.94 119.03 1rck s ASN 43 Ca 0.45 -1.50 -0.06 0.00 -2.14 0.00 0.00 52.86 49.62 1rck s ASN 43 Cb -0.16 0.63 0.01 0.00 1.28 0.00 0.00 41.25 43.01 1rck s ASN 43 CO 0.09 -1.24 0.67 -3.20 -2.04 0.00 0.00 177.10 171.38 1rck n ASN 44 N -1.34 -7.74 -4.54 3.54 5.15 -1.26 -4.90 115.26 104.17 1rck n ASN 44 Ca 0.02 0.09 -0.42 0.00 -0.60 0.00 0.00 54.58 53.68 1rck n ASN 44 Cb 0.62 -5.19 -0.03 0.00 -0.53 0.00 0.00 39.78 34.65 1rck n ASN 44 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1rck s TYR 45 N -2.86 2.62 0.06 1.20 2.02 -1.26 -4.85 117.35 114.29 1rck s TYR 45 Ca 0.08 -0.86 -0.24 0.00 -0.37 0.00 0.00 57.07 55.68 1rck s TYR 45 Cb -0.02 -4.60 -0.16 0.00 -0.40 0.00 0.00 41.96 36.77 1rck s TYR 45 CO 0.76 -1.86 1.63 1.49 -1.57 0.00 0.00 175.55 176.00 1rck h GLU 46 N 9.64 -0.06 0.00 -0.62 4.22 -2.05 -3.42 114.58 122.29 1rck h GLU 46 Ca 0.13 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.48 1rck h GLU 46 Cb 1.02 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 1rck h GLU 46 CO 1.35 0.06 -0.11 0.41 -2.18 0.00 0.00 179.01 178.53 1rck n GLY 47 N -0.84 0.47 3.28 1.92 0.00 -1.26 -5.15 105.19 103.61 1rck n GLY 47 Ca -0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 0.08 -0.36 0.36 1.61 0.08 -1.26 -5.09 117.98 113.39 1rck s PHE 48 Ca 0.06 0.80 -0.16 0.00 0.12 0.00 0.00 56.93 57.75 1rck s PHE 48 Cb 0.22 0.14 0.06 0.00 -0.57 0.00 0.00 43.02 42.88 1rck s PHE 48 CO -0.06 -0.28 0.84 0.16 -0.10 0.00 0.00 175.22 175.78 1rck s ASP 49 N -0.33 0.03 -0.06 1.36 -4.77 -1.26 -4.70 116.67 106.93 1rck s ASP 49 Ca -0.05 -1.10 -0.02 0.00 -3.30 0.00 0.00 52.55 48.08 1rck s ASP 49 Cb -0.03 0.80 0.03 0.00 -1.09 0.00 0.00 42.92 42.62 1rck s ASP 49 CO 0.02 -1.59 0.04 -0.36 0.70 0.00 0.00 175.17 173.98 1rck s PHE 50 N -2.15 0.35 -1.29 2.11 0.08 -1.26 -5.06 117.98 110.76 1rck s PHE 50 Ca 0.17 0.02 -0.17 0.00 0.12 0.00 0.00 56.93 57.07 1rck s PHE 50 Cb -0.05 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1rck s PHE 50 CO 0.11 -0.27 1.99 -0.35 -0.10 0.00 0.00 175.22 176.60 1rck n PRO 51 N 5.23 2.68 0.00 0.24 -0.04 -1.26 -4.48 135.00 137.37 1rck n PRO 51 Ca -0.05 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1rck n PRO 51 Cb 0.50 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 1rck n PRO 51 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1rck n VAL 52 N 5.91 0.00 0.00 0.52 0.24 -1.26 -5.14 118.33 118.60 1rck n VAL 52 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.80 1rck n VAL 52 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1rck n VAL 52 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1rck n ASP 53 N 0.00 0.00 0.00 -1.34 8.00 -1.26 -5.19 116.55 116.76 1rck n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1rck n ASP 53 Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rck n GLY 54 N 0.43 -2.77 3.78 0.44 0.00 -1.26 -4.87 105.19 100.95 1rck n GLY 54 Ca 0.00 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1rck n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rck s PRO 55 N -0.51 4.13 0.77 1.61 0.04 -1.26 -4.80 135.00 134.98 1rck s PRO 55 Ca 0.00 2.46 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 1rck s PRO 55 Cb 0.00 -2.96 0.10 0.00 0.04 0.00 0.00 34.50 31.68 1rck s PRO 55 CO 0.00 -0.47 1.09 0.71 0.04 0.00 0.00 177.00 178.37 1rck s TYR 56 N -1.14 2.54 -0.19 0.56 2.02 -1.26 -1.92 117.35 117.96 1rck s TYR 56 Ca 0.53 0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 57.45 1rck s TYR 56 Cb -0.44 -3.38 0.05 0.00 -0.40 0.00 0.00 41.96 37.79 1rck s TYR 56 CO 0.60 -1.72 0.50 1.14 -1.57 0.00 0.00 175.55 174.50 1rck s GLN 57 N -5.40 0.56 0.27 -0.62 1.03 0.02 -1.47 119.66 114.04 1rck s GLN 57 Ca 0.64 0.74 -0.24 0.00 0.04 0.00 0.00 55.36 56.54 1rck s GLN 57 Cb -0.09 0.23 -0.09 0.00 0.03 0.00 0.00 33.01 33.09 1rck s GLN 57 CO 0.47 -0.09 0.84 -1.21 -2.54 0.00 0.00 175.29 172.76 1rck s GLU 58 N 0.53 4.47 -0.25 9.60 0.41 -0.88 -1.63 118.70 130.94 1rck s GLU 58 Ca -0.02 1.15 -0.04 0.00 -0.41 0.00 0.00 54.97 55.64 1rck s GLU 58 Cb -0.04 -2.90 0.13 0.00 -1.78 0.00 0.00 34.13 29.55 1rck s GLU 58 CO -0.03 0.36 0.47 0.12 -0.49 0.00 0.00 175.26 175.70 1rck s PHE 59 N -1.52 -1.05 0.31 1.61 5.36 -0.74 -3.71 117.98 118.24 1rck s PHE 59 Ca 0.46 1.39 -0.25 0.00 -0.96 0.00 0.00 56.93 57.57 1rck s PHE 59 Cb -0.19 0.31 -0.10 0.00 -0.34 0.00 0.00 43.02 42.71 1rck s PHE 59 CO 0.23 -0.69 0.90 -1.25 -1.46 0.00 0.00 175.22 172.96 1rck s PRO 60 N 2.68 4.51 0.09 10.12 0.04 -1.26 -1.69 135.00 149.48 1rck s PRO 60 Ca 0.09 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1rck s PRO 60 Cb -0.14 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1rck s PRO 60 CO -0.16 0.29 0.02 1.51 0.04 0.00 0.00 177.00 178.70 1rck n ILE 61 N 0.56 0.00 -3.51 0.56 3.06 -1.03 -2.07 119.36 116.93 1rck n ILE 61 Ca 0.01 -0.40 -0.04 0.00 -2.50 0.00 0.00 62.75 59.82 1rck n ILE 61 Cb 0.50 -0.06 0.02 0.00 0.54 0.00 0.00 39.64 40.64 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 -0.36 0.55 -2.21 9.51 0.00 -1.25 -4.76 118.16 119.64 1rck n LYS 62 Ca -0.03 -1.12 -0.41 0.00 0.00 0.00 0.00 58.31 56.76 1rck n LYS 62 Cb 0.11 1.42 0.00 0.00 0.00 0.00 0.00 35.03 36.56 1rck n LYS 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1rck n SER 63 N -1.21 7.58 -0.18 3.14 7.64 -1.26 -4.27 113.62 125.06 1rck n SER 63 Ca -0.04 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1rck n SER 63 Cb 0.33 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 1.38 0.86 2.69 0.23 0.00 -1.26 -5.08 105.19 104.01 1rck n GLY 64 Ca 0.56 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.18 -0.83 3.64 -0.02 0.00 -1.26 -5.13 105.19 101.41 1rck n GLY 65 Ca 0.00 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 1rck n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rck s VAL 66 N 0.14 3.38 -0.91 1.61 0.11 -1.26 -3.50 120.40 119.97 1rck s VAL 66 Ca 0.22 0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 59.65 1rck s VAL 66 Cb 0.29 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.77 1rck s VAL 66 CO -0.15 -0.11 0.74 0.00 -3.33 0.00 0.00 175.10 172.25 1rck n TYR 67 N 8.36 -2.44 -3.38 1.54 9.36 -0.88 -5.00 117.16 124.72 1rck n TYR 67 Ca 0.20 0.85 -0.26 0.00 3.32 0.00 0.00 57.90 62.01 1rck n TYR 67 Cb 0.43 -3.69 -0.09 0.00 -0.63 0.00 0.00 39.34 35.36 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1rck n THR 68 N -2.83 -0.82 -1.89 2.97 -2.24 -1.23 -5.03 114.28 103.21 1rck n THR 68 Ca -0.10 -3.70 -0.02 0.00 -2.27 0.00 0.00 64.05 57.97 1rck n THR 68 Cb 0.58 -1.77 -0.02 0.00 -2.10 0.00 0.00 70.33 67.03 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 2.42 -3.79 1.72 3.38 0.00 -1.26 -5.08 105.19 102.57 1rck n GLY 69 Ca 0.27 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 0.61 -1.02 2.85 -0.02 0.00 -1.26 -4.84 105.19 101.51 1rck n GLY 70 Ca -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.32 -7.74 -4.77 1.61 7.64 -1.26 -4.78 113.62 101.00 1rck n SER 71 Ca 0.07 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.55 1rck n SER 71 Cb 0.26 -4.77 0.01 0.00 -1.01 0.00 0.00 64.21 58.69 1rck n SER 71 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1rck s PRO 72 N -1.89 3.82 -0.37 1.43 0.02 -1.26 -5.15 135.00 131.60 1rck s PRO 72 Ca 0.09 2.32 0.12 0.00 0.02 0.00 0.00 61.00 63.55 1rck s PRO 72 Cb -0.02 -2.71 0.41 0.00 0.02 0.00 0.00 34.50 32.19 1rck s PRO 72 CO 0.71 -0.67 1.31 0.41 -0.33 0.00 0.00 177.00 178.43 1rck n GLY 73 N 0.61 1.49 0.19 0.52 0.00 -1.26 -4.99 105.19 101.74 1rck n GLY 73 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1rck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck h ALA 74 N 2.04 -0.37 -2.28 4.61 0.00 -1.96 -3.45 119.26 117.86 1rck h ALA 74 Ca -0.27 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 1rck h ALA 74 Cb 1.28 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1rck h ALA 74 CO 0.02 -0.45 1.23 0.16 0.00 0.00 0.00 179.25 180.21 1rck s ASP 75 N -5.20 6.37 -0.07 0.00 -4.77 -1.26 -2.42 116.67 109.32 1rck s ASP 75 Ca -0.13 2.45 -0.03 0.00 -3.30 0.00 0.00 52.55 51.55 1rck s ASP 75 Cb 0.01 -2.53 0.04 0.00 -1.09 0.00 0.00 42.92 39.35 1rck s ASP 75 CO 0.46 -1.15 0.15 -0.13 0.70 0.00 0.00 175.17 175.20 1rck s ARG 76 N 4.61 0.07 0.16 2.11 0.52 -0.41 -2.48 118.95 123.53 1rck s ARG 76 Ca 0.86 0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 56.41 1rck s ARG 76 Cb -0.39 -0.21 -0.06 0.00 0.52 0.00 0.00 34.95 34.80 1rck s ARG 76 CO 0.38 -0.21 0.46 0.14 0.02 0.00 0.00 175.30 176.09 1rck s VAL 77 N 1.52 5.03 -0.03 3.52 -7.23 -0.68 -1.60 120.40 120.93 1rck s VAL 77 Ca -0.05 0.39 0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1rck s VAL 77 Cb -0.12 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.20 1rck s VAL 77 CO -0.06 0.09 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.12 1rck s VAL 78 N -1.62 0.26 0.31 1.32 1.01 -0.83 -1.79 120.40 119.07 1rck s VAL 78 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1rck s VAL 78 Cb -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1rck s VAL 78 CO 0.21 0.15 0.00 2.30 0.00 0.00 0.00 175.10 177.76 1rck n ILE 79 N 3.89 0.00 -3.70 2.22 -5.35 -0.65 -1.79 119.36 113.99 1rck n ILE 79 Ca -0.24 -1.48 -0.28 0.00 -0.27 0.00 0.00 62.75 60.48 1rck n ILE 79 Cb 0.52 0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.68 1rck n ILE 79 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1rck s ASN 80 N -2.73 6.40 0.00 7.28 0.01 0.52 -0.80 114.94 125.62 1rck s ASN 80 Ca 0.00 0.42 0.12 0.00 -0.71 0.00 0.00 52.86 52.69 1rck s ASN 80 Cb -0.00 -2.02 0.66 0.00 0.41 0.00 0.00 41.25 40.30 1rck s ASN 80 CO 0.00 -0.02 1.16 1.07 -1.51 0.00 0.00 177.10 177.80 1rck n THR 81 N -0.51 0.18 0.00 1.60 5.66 -0.81 -3.51 114.28 116.89 1rck n THR 81 Ca -0.04 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rck n THR 81 Cb 0.53 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 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 -1.07 0.00 0.00 1.09 2.85 -1.26 -4.83 115.26 112.04 1rck n ASN 82 Ca 0.08 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1rck n ASN 82 Cb 0.05 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.84 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rck s GLU 84 N 0.00 4.64 0.10 0.00 2.02 -1.26 -4.82 118.70 119.38 1rck s GLU 84 Ca 0.00 1.46 -0.31 0.00 0.02 0.00 0.00 54.97 56.14 1rck s GLU 84 Cb 0.00 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.73 1rck s GLU 84 CO 0.00 0.10 1.75 -0.47 0.02 0.00 0.00 175.26 176.66 1rck s TYR 85 N 0.40 2.27 -0.20 1.61 6.14 -1.26 -0.35 117.35 125.95 1rck s TYR 85 Ca 0.49 0.12 -0.06 0.00 0.64 0.00 0.00 57.07 58.26 1rck s TYR 85 Cb -0.23 -4.09 -0.20 0.00 0.42 0.00 0.00 41.96 37.86 1rck s TYR 85 CO 0.29 -4.44 0.05 0.00 0.64 0.00 0.00 175.55 172.09 1rck n ALA 86 N 5.62 1.10 0.00 3.97 0.00 -0.94 -4.85 120.51 125.42 1rck n ALA 86 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1rck n ALA 86 Cb 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.93 -0.92 3.13 0.00 0.00 -0.74 -4.31 105.19 104.28 1rck n GLY 87 Ca -0.40 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.00 -0.61 0.15 4.61 0.00 -1.26 -1.96 121.76 121.69 1rck s ALA 88 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 1rck s ALA 88 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1rck s ALA 88 CO 0.00 -0.12 0.14 0.96 0.00 0.00 0.00 175.76 176.74 1rck s ILE 89 N 0.04 0.08 -0.03 0.00 -4.36 -0.63 -2.35 121.20 113.95 1rck s ILE 89 Ca -0.01 -1.75 -0.29 0.00 -0.26 0.00 0.00 60.65 58.34 1rck s ILE 89 Cb -0.02 -2.03 0.07 0.00 1.25 0.00 0.00 42.46 41.73 1rck s ILE 89 CO 0.00 -0.36 0.65 0.28 0.24 0.00 0.00 174.94 175.75 1rck s THR 90 N -4.03 0.00 -1.02 8.37 -1.32 -0.38 -1.28 115.64 115.98 1rck s THR 90 Ca 0.23 -0.03 0.28 0.00 -1.21 0.00 0.00 61.69 60.96 1rck s THR 90 Cb 0.06 -0.98 0.24 0.00 -1.51 0.00 0.00 72.50 70.31 1rck s THR 90 CO 0.02 -0.02 1.90 1.41 -2.21 0.00 0.00 174.62 175.72 1rck n HIS 91 N 0.83 0.00 -1.92 9.09 8.25 -1.02 -1.76 115.22 128.69 1rck n HIS 91 Ca -0.19 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.84 1rck n HIS 91 Cb 0.58 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1rck n HIS 91 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1rck s THR 92 N -2.98 3.40 -0.25 1.59 2.01 -1.26 -1.99 115.64 116.16 1rck s THR 92 Ca 0.14 0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1rck s THR 92 Cb 0.18 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1rck s THR 92 CO 0.50 -0.26 0.08 0.61 -0.69 0.00 0.00 174.62 174.86 1rck n GLY 93 N 5.23 0.45 0.01 4.40 0.00 -1.26 -4.82 105.19 109.20 1rck n GLY 93 Ca 0.23 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.92 2.21 -2.14 4.61 0.00 -0.84 -4.89 120.51 117.55 1rck n ALA 94 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 1rck n ALA 94 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.81 -5.00 0.00 0.00 7.64 -1.26 -4.64 113.62 108.56 1rck n SER 95 Ca -0.02 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1rck n SER 95 Cb 0.25 -3.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.27 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 -0.01 0.35 0.00 0.23 0.00 -1.26 -4.38 105.19 100.11 1rck n GLY 96 Ca 0.03 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1rck n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rck n ASN 97 N 0.01 0.00 -3.04 1.61 0.23 -1.26 -4.89 115.26 107.92 1rck n ASN 97 Ca 0.00 -1.36 -0.15 0.00 -0.53 0.00 0.00 54.58 52.54 1rck n ASN 97 Cb 0.00 -0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.83 1rck n ASN 97 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rck n ASN 98 N -0.82 -1.79 -4.04 0.53 3.02 -1.26 -5.00 115.26 105.90 1rck n ASN 98 Ca 0.15 -0.77 -0.08 0.00 -0.03 0.00 0.00 54.58 53.86 1rck n ASN 98 Cb 0.07 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1rck s PHE 99 N -1.91 0.42 0.12 3.10 0.08 -1.26 -4.29 117.98 114.24 1rck s PHE 99 Ca 0.35 -0.89 -0.05 0.00 0.12 0.00 0.00 56.93 56.46 1rck s PHE 99 Cb -0.04 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 1rck s PHE 99 CO 0.27 -0.35 0.14 0.14 -0.10 0.00 0.00 175.22 175.33 1rck s VAL 100 N -3.31 0.12 0.38 -0.44 -7.23 -0.72 -4.89 120.40 104.30 1rck s VAL 100 Ca 0.01 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 1rck s VAL 100 Cb 0.03 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 1rck s VAL 100 CO -0.08 -0.54 0.75 -0.83 -0.31 0.00 0.00 175.10 174.10 1rck s GLY 101 N -2.96 2.06 0.90 2.32 0.00 -1.26 -1.24 107.32 107.13 1rck s GLY 101 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 1rck s GLY 101 CO -0.03 0.05 1.23 0.00 0.00 0.00 0.00 173.10 174.35 1rck s SER 103 N -5.64 7.16 -1.39 0.00 0.15 0.73 -3.64 113.70 111.06 1rck s SER 103 Ca 0.73 1.49 -0.05 0.00 0.70 0.00 0.00 55.95 58.81 1rck s SER 103 Cb -0.03 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1rck s SER 103 CO 0.50 -0.57 0.70 0.61 1.20 0.00 0.00 173.24 175.68 1rck n GLY 104 N 3.24 -0.43 3.80 9.45 0.00 -1.26 -4.18 105.19 115.80 1rck n GLY 104 Ca 0.11 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.17 4.29 0.00 2.61 -1.32 -1.24 -5.05 115.64 111.75 1rck s THR 105 Ca 0.35 1.68 0.00 0.00 -1.21 0.00 0.00 61.69 62.51 1rck s THR 105 Cb -0.15 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 1rck s THR 105 CO 0.43 -0.05 0.00 -0.46 -2.21 0.00 0.00 174.62 172.33