#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 1.51 -2.94 -0.43 0.00 -1.26 -4.48 120.51 112.91 1rck n ALA 3 Ca 0.00 0.33 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 1rck n ALA 3 Cb 0.00 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 2.77 4.98 -0.94 0.00 -4.23 -0.68 -4.67 115.64 112.86 1rck s THR 4 Ca 0.85 -2.49 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 1rck s THR 4 Cb -0.60 -4.90 0.06 0.00 1.34 0.00 0.00 72.50 68.40 1rck s THR 4 CO 0.42 -1.62 1.33 -0.89 -0.54 0.00 0.00 174.62 173.33 1rck s THR 5 N 1.76 4.07 -1.11 3.99 2.01 -1.26 -2.63 115.64 122.47 1rck s THR 5 Ca 0.42 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 1rck s THR 5 Cb -0.03 -4.96 0.28 0.00 0.01 0.00 0.00 72.50 67.80 1rck s THR 5 CO -0.01 -1.82 1.14 0.00 -0.69 0.00 0.00 174.62 173.24 1rck n GLY 7 N 2.52 1.67 0.00 0.00 0.00 -1.26 -2.57 105.19 105.55 1rck n GLY 7 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1rck n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 8 N 3.21 0.46 -4.56 1.61 3.41 -1.26 -5.00 113.62 111.50 1rck n SER 8 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1rck n SER 8 Cb 0.00 0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rck s THR 9 N -1.10 3.54 -0.37 6.66 2.01 -1.06 -4.94 115.64 120.38 1rck s THR 9 Ca 0.00 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1rck s THR 9 Cb 0.00 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1rck s THR 9 CO 0.00 -1.21 0.40 0.54 -0.69 0.00 0.00 174.62 173.66 1rck s ASN 10 N 7.06 6.20 0.01 3.53 4.22 -1.26 -2.56 114.94 132.14 1rck s ASN 10 Ca 0.61 -0.33 0.03 0.00 -2.14 0.00 0.00 52.86 51.03 1rck s ASN 10 Cb -0.07 -2.21 -0.03 0.00 1.28 0.00 0.00 41.25 40.21 1rck s ASN 10 CO 0.05 -0.43 -0.04 -0.31 -2.04 0.00 0.00 177.10 174.33 1rck s TYR 11 N 2.10 2.95 0.64 1.54 1.51 -1.08 -4.98 117.35 120.03 1rck s TYR 11 Ca 0.13 0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 56.02 1rck s TYR 11 Cb -0.17 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1rck s TYR 11 CO 0.12 0.41 1.17 -1.12 -1.11 0.00 0.00 175.55 175.03 1rck s SER 12 N -1.52 5.00 0.60 2.29 0.01 -1.26 -1.69 113.70 117.13 1rck s SER 12 Ca 0.18 2.25 0.29 0.00 1.31 0.00 0.00 55.95 59.99 1rck s SER 12 Cb -0.11 -2.58 1.62 0.00 0.21 0.00 0.00 66.02 65.16 1rck s SER 12 CO 0.09 -1.71 2.02 0.00 0.41 0.00 0.00 173.24 174.05 1rck h ALA 13 N 0.42 1.83 -0.18 1.44 0.00 -1.90 0.15 119.26 121.02 1rck h ALA 13 Ca -0.49 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1rck h ALA 13 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rck h ALA 13 CO 0.54 -0.43 -0.34 1.03 0.00 0.00 0.00 179.25 180.04 1rck h SER 14 N 0.00 0.62 0.62 0.00 0.87 -1.91 -2.80 113.55 110.94 1rck h SER 14 Ca 0.11 -0.55 -0.12 0.00 -1.23 0.00 0.00 61.79 60.01 1rck h SER 14 Cb 0.72 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1rck h SER 14 CO -0.00 1.05 -0.56 1.56 -0.53 0.00 0.00 176.83 178.34 1rck h GLN 15 N 0.21 0.00 -0.11 2.24 7.50 -1.07 0.43 115.11 124.31 1rck h GLN 15 Ca 0.01 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.06 1rck h GLN 15 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.47 1rck h GLN 15 CO 0.08 0.56 -0.31 0.28 -1.50 0.00 0.00 178.83 177.94 1rck h VAL 16 N 0.00 1.39 -0.15 -0.54 2.07 -1.44 -2.81 116.25 114.77 1rck h VAL 16 Ca -0.01 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.79 1rck h VAL 16 Cb 1.03 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1rck h VAL 16 CO 0.07 0.48 -0.33 -0.09 0.02 0.00 0.00 177.57 177.72 1rck h ARG 17 N -0.03 0.30 0.54 1.57 2.43 -1.43 -1.75 114.38 116.01 1rck h ARG 17 Ca -0.01 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1rck h ARG 17 Cb 0.93 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1rck h ARG 17 CO 0.07 0.60 -0.26 0.00 -1.51 0.00 0.00 179.97 178.87 1rck h ALA 18 N 1.40 -0.73 -0.69 2.80 0.00 -0.89 0.15 119.26 121.30 1rck h ALA 18 Ca 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rck h ALA 18 Cb 0.71 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1rck h ALA 18 CO 0.05 -0.73 0.43 0.00 0.00 0.00 0.00 179.25 179.00 1rck h ALA 19 N -0.89 1.45 0.02 0.00 0.00 -1.56 -1.90 119.26 116.37 1rck h ALA 19 Ca -0.07 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1rck h ALA 19 Cb 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rck h ALA 19 CO 0.12 0.49 -0.98 0.00 0.00 0.00 0.00 179.25 178.88 1rck h ALA 20 N 1.52 0.33 0.00 0.00 0.00 -1.33 -2.62 119.26 117.16 1rck h ALA 20 Ca 0.25 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1rck h ALA 20 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rck h ALA 20 CO -0.05 0.83 0.00 -0.97 0.00 0.00 0.00 179.25 179.06 1rck h ASN 21 N 0.22 0.00 0.16 0.00 -0.73 -0.35 0.18 115.58 115.07 1rck h ASN 21 Ca -0.09 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 1rck h ASN 21 Cb 1.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.21 1rck h ASN 21 CO 0.17 0.00 -0.08 0.00 -0.37 0.00 0.00 177.43 177.15 1rck h ALA 22 N 2.00 -0.23 -0.95 1.57 0.00 -1.20 -2.78 119.26 117.68 1rck h ALA 22 Ca 0.00 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1rck h ALA 22 Cb 0.44 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 1rck h ALA 22 CO 0.00 -0.22 0.50 0.00 0.00 0.00 0.00 179.25 179.53 1rck h ALA 23 N -1.14 1.59 0.54 0.00 0.00 -1.36 -1.85 119.26 117.04 1rck h ALA 23 Ca -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rck h ALA 23 Cb 0.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rck h ALA 23 CO 0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 179.25 178.73 1rck h GLN 25 N -0.76 0.16 0.03 0.00 4.15 -1.09 -2.53 115.11 115.06 1rck h GLN 25 Ca -0.07 -0.01 -0.30 0.00 0.77 0.00 0.00 58.65 59.04 1rck h GLN 25 Cb 0.60 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1rck h GLN 25 CO 0.10 0.11 -1.69 1.88 -1.93 0.00 0.00 178.83 177.30 1rck h TYR 26 N 0.17 0.11 -0.50 3.99 -1.99 -1.09 -3.35 116.97 114.31 1rck h TYR 26 Ca 0.21 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1rck h TYR 26 Cb 0.60 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1rck h TYR 26 CO -0.00 1.16 0.09 -0.92 -0.00 0.00 0.00 178.16 178.49 1rck h TYR 27 N 0.02 0.79 -0.64 4.88 3.20 -0.41 -2.98 116.97 121.83 1rck h TYR 27 Ca -0.29 -0.08 -0.27 0.00 3.14 0.00 0.00 58.73 61.24 1rck h TYR 27 Cb 2.00 -0.23 -0.16 0.00 1.54 0.00 0.00 36.73 39.88 1rck h TYR 27 CO 0.02 0.69 0.25 1.04 -1.64 0.00 0.00 178.16 178.51 1rck n GLN 28 N -4.27 2.64 -0.11 1.82 1.13 -1.20 -4.45 117.38 112.95 1rck n GLN 28 Ca 0.03 -3.07 -0.14 0.00 -1.94 0.00 0.00 57.00 51.88 1rck n GLN 28 Cb 0.24 -2.04 -0.12 0.00 0.11 0.00 0.00 30.24 28.42 1rck n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1rck n ASN 29 N -0.78 1.65 -1.24 1.08 5.15 -1.12 -5.08 115.26 114.92 1rck n ASN 29 Ca 0.42 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1rck n ASN 29 Cb 1.31 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 40.61 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1rck n ASP 30 N -3.02 -1.65 -1.65 1.20 2.03 -1.26 -5.00 116.55 107.19 1rck n ASP 30 Ca -0.38 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 54.93 1rck n ASP 30 Cb 0.99 -0.83 -0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -5.05 0.00 1.67 8.00 -1.26 -5.06 116.55 114.85 1rck n ASP 31 Ca 0.00 0.83 0.00 0.00 0.71 0.00 0.00 54.79 56.33 1rck n ASP 31 Cb 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 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 0.83 0.00 -2.30 -3.53 5.66 -1.26 -5.08 114.28 108.60 1rck n THR 32 Ca -0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.60 1rck n THR 32 Cb 0.03 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.78 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 -1.80 2.37 -0.34 1.79 0.00 -1.26 -4.87 121.76 117.66 1rck s ALA 33 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 1rck s ALA 33 Cb 0.00 -4.36 -0.01 0.00 0.00 0.00 0.00 23.12 18.75 1rck s ALA 33 CO 0.00 -3.79 2.94 0.41 0.00 0.00 0.00 175.76 175.32 1rck n GLY 34 N 5.95 4.02 0.00 0.00 0.00 -1.26 -4.52 105.19 109.38 1rck n GLY 34 Ca 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 1.23 0.00 0.04 1.61 7.64 -1.26 -5.07 113.62 117.81 1rck n SER 35 Ca 0.47 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1rck n SER 35 Cb 0.64 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1rck n SER 35 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rck n SER 36 N -1.40 -0.71 0.00 6.43 2.88 -1.26 -4.96 113.62 114.59 1rck n SER 36 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1rck n SER 36 Cb 0.00 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1rck n THR 37 N -2.49 0.00 -3.47 2.46 5.66 -1.26 -5.09 114.28 110.09 1rck n THR 37 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1rck n THR 37 Cb 0.00 0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 69.27 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 3.47 0.08 1.09 1.51 -1.26 -2.14 117.35 120.10 1rck s TYR 38 Ca 0.00 0.67 -0.31 0.00 -1.01 0.00 0.00 57.07 56.42 1rck s TYR 38 Cb 0.00 -2.41 -0.07 0.00 -0.11 0.00 0.00 41.96 39.37 1rck s TYR 38 CO 0.00 0.21 1.36 -2.14 -1.11 0.00 0.00 175.55 173.87 1rck s PRO 39 N 0.56 4.33 0.00 -1.71 0.02 -1.26 -4.63 135.00 132.31 1rck s PRO 39 Ca 0.19 2.01 -0.08 0.00 0.02 0.00 0.00 61.00 63.14 1rck s PRO 39 Cb -0.14 -3.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 1rck s PRO 39 CO 0.06 -0.44 0.29 -1.01 -0.33 0.00 0.00 177.00 175.56 1rck s HIS 40 N 1.37 3.60 0.41 6.54 3.76 -0.91 -4.83 115.29 125.23 1rck s HIS 40 Ca 0.64 0.64 -0.26 0.00 -0.15 0.00 0.00 55.06 55.93 1rck s HIS 40 Cb -0.35 -2.04 -0.09 0.00 1.11 0.00 0.00 32.58 31.21 1rck s HIS 40 CO 0.29 0.62 1.38 -0.08 -0.85 0.00 0.00 174.74 176.10 1rck s THR 41 N -1.26 2.34 -0.25 1.30 -1.32 -1.26 -1.09 115.64 114.10 1rck s THR 41 Ca 0.26 0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 60.98 1rck s THR 41 Cb -0.14 -3.18 -0.02 0.00 -1.51 0.00 0.00 72.50 67.65 1rck s THR 41 CO 0.15 0.05 0.05 -0.47 -2.21 0.00 0.00 174.62 172.19 1rck s TYR 42 N -1.21 3.07 0.25 9.09 5.04 -0.57 -4.79 117.35 128.23 1rck s TYR 42 Ca 0.57 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1rck s TYR 42 Cb -0.41 -2.22 0.00 0.00 0.35 0.00 0.00 41.96 39.67 1rck s TYR 42 CO 0.54 -0.42 0.00 0.09 -1.34 0.00 0.00 175.55 174.42 1rck n ASN 43 N 4.90 -1.45 0.00 4.32 3.02 -1.26 -4.46 115.26 120.32 1rck n ASN 43 Ca -0.16 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1rck n ASN 43 Cb 0.51 1.51 0.00 0.00 -0.61 0.00 0.00 39.78 41.19 1rck n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rck n ASN 44 N -3.14 0.00 -2.18 6.41 5.15 -1.26 -4.86 115.26 115.37 1rck n ASN 44 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1rck n ASN 44 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rck n TYR 45 N 7.79 -0.90 -0.23 1.20 4.11 -1.26 -5.18 117.16 122.68 1rck n TYR 45 Ca 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 57.90 57.31 1rck n TYR 45 Cb 0.00 0.30 -0.01 0.00 -0.00 0.00 0.00 39.34 39.63 1rck n TYR 45 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1rck n GLU 46 N -0.37 -0.56 -1.59 -3.48 2.13 -1.26 -4.62 120.64 110.88 1rck n GLU 46 Ca -0.01 0.45 -0.42 0.00 0.66 0.00 0.00 57.16 57.84 1rck n GLU 46 Cb 0.29 -0.62 -0.02 0.00 0.27 0.00 0.00 31.44 31.36 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rck n GLY 47 N -2.19 3.90 2.70 8.31 0.00 -1.26 -4.80 105.19 111.85 1rck n GLY 47 Ca -0.01 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 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 3.72 -0.05 0.20 1.61 0.40 -1.26 -5.14 117.98 117.45 1rck s PHE 48 Ca 0.50 0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1rck s PHE 48 Cb 0.14 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 43.18 1rck s PHE 48 CO -0.03 -0.50 0.28 -3.47 0.70 0.00 0.00 175.22 172.19 1rck n ASP 49 N 5.30 -0.77 -4.09 1.36 2.03 -1.26 -4.99 116.55 114.13 1rck n ASP 49 Ca -0.06 -2.09 -0.18 0.00 0.52 0.00 0.00 54.79 52.98 1rck n ASP 49 Cb 0.49 1.44 -0.13 0.00 -0.72 0.00 0.00 41.12 42.20 1rck n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1rck s PHE 50 N -3.78 1.00 -1.22 -0.67 0.08 -1.26 -5.06 117.98 107.08 1rck s PHE 50 Ca 0.17 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.75 1rck s PHE 50 Cb -0.00 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.79 1rck s PHE 50 CO 0.12 0.00 2.24 -0.35 -0.10 0.00 0.00 175.22 177.13 1rck n PRO 51 N 2.08 2.50 -1.71 0.24 -0.04 -1.26 -4.76 135.00 132.05 1rck n PRO 51 Ca -0.18 -2.18 -0.01 0.00 -0.04 0.00 0.00 63.50 61.09 1rck n PRO 51 Cb 0.55 -3.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.02 0.00 -5.13 0.52 0.24 -1.26 -5.15 118.33 112.58 1rck n VAL 52 Ca 0.55 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.34 62.41 1rck n VAL 52 Cb 0.34 0.07 -0.16 0.00 -1.47 0.00 0.00 33.84 32.62 1rck n VAL 52 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1rck s ASP 53 N -1.15 3.31 0.96 -1.34 1.01 -1.26 -5.14 116.67 113.05 1rck s ASP 53 Ca 0.02 -0.49 -0.03 0.00 0.71 0.00 0.00 52.55 52.75 1rck s ASP 53 Cb -0.00 -1.33 0.05 0.00 1.01 0.00 0.00 42.92 42.65 1rck s ASP 53 CO 0.01 0.18 0.30 0.61 0.21 0.00 0.00 175.17 176.48 1rck n GLY 54 N 3.37 -1.06 3.79 0.21 0.00 -1.26 -4.84 105.19 105.40 1rck n GLY 54 Ca -0.18 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.61 3.44 0.49 1.61 0.04 -1.26 -4.96 135.00 130.75 1rck s PRO 55 Ca 0.17 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.62 1rck s PRO 55 Cb -0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1rck s PRO 55 CO 0.12 -0.73 0.07 0.71 0.04 0.00 0.00 177.00 177.21 1rck s TYR 56 N -2.11 2.01 0.03 0.56 2.02 -1.26 -2.78 117.35 115.81 1rck s TYR 56 Ca 0.67 -0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 56.31 1rck s TYR 56 Cb -0.18 -1.71 0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1rck s TYR 56 CO 0.29 0.17 0.45 1.14 -1.57 0.00 0.00 175.55 176.03 1rck s GLN 57 N -3.90 0.93 0.43 -0.62 0.00 -0.60 -1.52 119.66 114.37 1rck s GLN 57 Ca 0.17 -0.24 -0.21 0.00 -0.00 0.00 0.00 55.36 55.08 1rck s GLN 57 Cb 0.03 0.42 -0.11 0.00 0.00 0.00 0.00 33.01 33.35 1rck s GLN 57 CO 0.10 -0.31 0.95 -2.00 0.00 0.00 0.00 175.29 174.03 1rck s GLU 58 N -2.16 4.22 -0.28 9.60 2.56 -0.25 -1.39 118.70 131.00 1rck s GLU 58 Ca -0.07 1.12 0.00 0.00 0.00 0.00 0.00 54.97 56.02 1rck s GLU 58 Cb -0.01 -2.18 0.17 0.00 2.00 0.00 0.00 34.13 34.10 1rck s GLU 58 CO 0.00 -0.04 0.48 0.12 -0.56 0.00 0.00 175.26 175.26 1rck s PHE 59 N -2.18 -1.25 0.18 5.30 5.36 -0.73 -3.86 117.98 120.80 1rck s PHE 59 Ca 0.62 0.99 -0.30 0.00 -0.96 0.00 0.00 56.93 57.28 1rck s PHE 59 Cb -0.09 0.18 -0.08 0.00 -0.34 0.00 0.00 43.02 42.68 1rck s PHE 59 CO 0.13 -0.89 1.20 -1.25 -1.46 0.00 0.00 175.22 172.95 1rck s PRO 60 N 2.68 4.49 0.00 10.12 0.04 -1.26 -1.34 135.00 149.72 1rck s PRO 60 Ca 0.14 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1rck s PRO 60 Cb -0.14 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1rck s PRO 60 CO -0.22 -0.09 0.00 1.51 0.04 0.00 0.00 177.00 178.24 1rck n ILE 61 N 2.50 0.00 -1.84 0.56 3.06 -1.07 -4.32 119.36 118.25 1rck n ILE 61 Ca 0.04 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 60.00 1rck n ILE 61 Cb 0.45 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.69 1rck n ILE 61 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1rck s LYS 62 N 1.24 2.46 0.00 9.51 -0.14 -1.25 -3.72 119.74 127.83 1rck s LYS 62 Ca 0.00 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.99 1rck s LYS 62 Cb 0.00 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1rck s LYS 62 CO 0.00 -1.30 0.00 0.43 -0.76 0.00 0.00 175.35 173.72 1rck n SER 63 N -3.17 0.00 0.00 2.83 7.64 -1.26 -4.83 113.62 114.83 1rck n SER 63 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1rck n SER 63 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.00 2.96 0.00 0.23 0.00 -1.26 -4.89 105.19 102.23 1rck n GLY 64 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1rck n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 65 N 0.00 -0.89 3.00 -0.02 0.00 -1.26 -4.96 105.19 101.07 1rck n GLY 65 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1rck n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rck n VAL 66 N 1.11 2.68 -2.46 1.61 3.14 -1.26 -3.96 118.33 119.20 1rck n VAL 66 Ca 0.00 -2.41 -0.06 0.00 -2.96 0.00 0.00 64.34 58.92 1rck n VAL 66 Cb 0.00 -2.44 0.01 0.00 -1.06 0.00 0.00 33.84 30.35 1rck n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rck n TYR 67 N 7.37 -2.49 -3.20 1.45 9.36 -1.24 -5.08 117.16 123.34 1rck n TYR 67 Ca 0.50 1.00 0.01 0.00 3.32 0.00 0.00 57.90 62.73 1rck n TYR 67 Cb 0.41 -3.34 -0.02 0.00 -0.63 0.00 0.00 39.34 35.75 1rck n TYR 67 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1rck s THR 68 N -2.14 -0.90 0.00 2.97 -1.32 -1.26 -5.10 115.64 107.90 1rck s THR 68 Ca 0.18 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1rck s THR 68 Cb -0.05 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1rck s THR 68 CO 0.55 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 1rck n GLY 69 N 5.41 -0.16 0.00 6.08 0.00 -1.26 -4.13 105.19 111.13 1rck n GLY 69 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.63 0.43 -0.02 0.00 -1.26 -5.02 105.19 97.70 1rck n GLY 70 Ca 0.00 0.72 -0.19 0.00 0.00 0.00 0.00 46.02 46.56 1rck n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rck h SER 71 N 0.00 -0.91 -3.32 1.61 0.02 -2.02 -3.42 113.55 105.50 1rck h SER 71 Ca 0.00 0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.45 1rck h SER 71 Cb 0.00 0.24 0.05 0.00 0.14 0.00 0.00 62.40 62.83 1rck h SER 71 CO 0.00 -0.63 0.75 -2.16 -1.14 0.00 0.00 176.83 173.65 1rck s PRO 72 N -5.84 4.29 0.00 3.45 0.04 -1.26 -4.78 135.00 130.89 1rck s PRO 72 Ca -0.18 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1rck s PRO 72 Cb 0.03 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1rck s PRO 72 CO 0.59 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1rck n GLY 73 N 2.40 -1.17 4.77 0.56 0.00 -1.26 -4.88 105.19 105.61 1rck n GLY 73 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 -3.00 0.00 -2.60 4.61 0.00 -1.26 -4.91 120.51 113.35 1rck n ALA 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1rck n ALA 74 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1rck n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rck s ASP 75 N 0.00 7.17 -0.11 0.00 -1.08 -1.26 -2.34 116.67 119.04 1rck s ASP 75 Ca 0.00 1.64 -0.05 0.00 -0.52 0.00 0.00 52.55 53.62 1rck s ASP 75 Cb 0.00 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.96 1rck s ASP 75 CO 0.00 -0.51 0.24 -0.13 0.52 0.00 0.00 175.17 175.29 1rck s ARG 76 N 2.13 0.16 0.42 4.34 0.52 -0.41 -2.61 118.95 123.50 1rck s ARG 76 Ca 0.51 0.63 -0.09 0.00 -0.52 0.00 0.00 55.73 56.27 1rck s ARG 76 Cb -0.21 -0.10 -0.06 0.00 0.52 0.00 0.00 34.95 35.11 1rck s ARG 76 CO 0.19 -0.24 0.76 0.14 0.02 0.00 0.00 175.30 176.18 1rck s VAL 77 N 1.92 4.83 -0.13 3.52 -7.23 -0.45 -1.81 120.40 121.06 1rck s VAL 77 Ca -0.03 0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 60.60 1rck s VAL 77 Cb -0.11 -3.77 0.04 0.00 0.56 0.00 0.00 36.38 33.10 1rck s VAL 77 CO -0.08 -0.60 0.01 -0.69 -0.31 0.00 0.00 175.10 173.43 1rck s VAL 78 N -2.46 0.46 0.43 1.32 1.01 -0.54 -1.77 120.40 118.85 1rck s VAL 78 Ca 0.50 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1rck s VAL 78 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1rck s VAL 78 CO 0.35 0.05 0.63 0.27 0.00 0.00 0.00 175.10 176.40 1rck s ILE 79 N 1.91 3.74 0.30 2.22 -4.36 -0.49 -1.71 121.20 122.82 1rck s ILE 79 Ca 0.02 -0.69 0.06 0.00 -0.26 0.00 0.00 60.65 59.78 1rck s ILE 79 Cb -0.14 -3.35 -0.02 0.00 1.25 0.00 0.00 42.46 40.20 1rck s ILE 79 CO -0.07 -0.21 0.43 0.21 0.24 0.00 0.00 174.94 175.55 1rck s ASN 80 N -4.25 6.11 0.00 4.36 2.47 -0.90 -1.56 114.94 121.18 1rck s ASN 80 Ca 0.49 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.71 1rck s ASN 80 Cb -0.10 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 1rck s ASN 80 CO 0.36 -0.29 0.63 1.07 -3.72 0.00 0.00 177.10 175.15 1rck n THR 81 N -1.56 0.55 0.00 -5.21 5.66 -1.12 -3.85 114.28 108.76 1rck n THR 81 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1rck n THR 81 Cb 0.58 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 1rck n THR 81 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1rck n ASN 82 N 0.54 0.00 0.00 1.09 3.02 -1.26 -5.04 115.26 113.61 1rck n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1rck n ASN 82 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.32 4.48 0.34 0.00 2.56 -1.26 -4.80 118.70 119.70 1rck s GLU 84 Ca 0.00 1.42 -0.21 0.00 0.00 0.00 0.00 54.97 56.19 1rck s GLU 84 Cb 0.00 -3.50 -0.10 0.00 2.00 0.00 0.00 34.13 32.53 1rck s GLU 84 CO 0.00 -0.21 0.86 1.52 -0.56 0.00 0.00 175.26 176.87 1rck s TYR 85 N 1.58 3.48 -0.06 5.30 1.13 -1.26 -2.12 117.35 125.39 1rck s TYR 85 Ca 0.50 1.53 -0.24 0.00 -1.41 0.00 0.00 57.07 57.46 1rck s TYR 85 Cb -0.20 -2.76 -0.28 0.00 -1.10 0.00 0.00 41.96 37.62 1rck s TYR 85 CO 0.23 0.09 0.91 0.00 -2.51 0.00 0.00 175.55 174.27 1rck h ALA 86 N 2.55 -0.03 0.00 9.51 0.00 -1.60 -3.45 119.26 126.23 1rck h ALA 86 Ca -0.48 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1rck h ALA 86 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rck h ALA 86 CO 0.64 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1rck n GLY 87 N 1.48 -0.66 3.22 0.00 0.00 -1.07 -4.86 105.19 103.30 1rck n GLY 87 Ca -0.12 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.70 0.06 4.61 0.00 -1.26 -1.47 121.76 122.00 1rck s ALA 88 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1rck s ALA 88 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1rck s ALA 88 CO 0.00 -0.26 -0.04 0.96 0.00 0.00 0.00 175.76 176.41 1rck s ILE 89 N -1.43 0.37 0.05 0.00 -4.36 -0.75 -2.48 121.20 112.60 1rck s ILE 89 Ca -0.13 -1.67 -0.24 0.00 -0.26 0.00 0.00 60.65 58.35 1rck s ILE 89 Cb -0.05 -1.33 0.06 0.00 1.25 0.00 0.00 42.46 42.39 1rck s ILE 89 CO 0.03 -0.85 0.56 0.28 0.24 0.00 0.00 174.94 175.21 1rck s THR 90 N -3.30 0.02 -0.71 8.37 -1.32 -0.66 -1.29 115.64 116.75 1rck s THR 90 Ca 0.04 -0.16 0.26 0.00 -1.21 0.00 0.00 61.69 60.62 1rck s THR 90 Cb 0.03 -0.99 0.29 0.00 -1.51 0.00 0.00 72.50 70.32 1rck s THR 90 CO -0.06 -0.09 1.77 1.41 -2.21 0.00 0.00 174.62 175.44 1rck n HIS 91 N 0.35 0.95 -1.73 9.09 8.25 -0.99 -1.59 115.22 129.55 1rck n HIS 91 Ca -0.18 0.28 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 1rck n HIS 91 Cb 0.61 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 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 -3.12 3.15 0.00 1.59 2.01 -1.26 -1.18 115.64 116.83 1rck s THR 92 Ca 0.10 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1rck s THR 92 Cb 0.12 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1rck s THR 92 CO 0.59 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 1rck n GLY 93 N 5.02 2.18 2.91 4.40 0.00 -1.26 -4.60 105.19 113.84 1rck n GLY 93 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.43 -1.31 -1.77 4.61 0.00 -0.32 -4.95 120.51 115.33 1rck n ALA 94 Ca 0.00 -1.31 -0.39 0.00 0.00 0.00 0.00 53.44 51.74 1rck n ALA 94 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.73 8.15 0.00 0.00 2.88 -1.26 -4.90 113.62 114.76 1rck n SER 95 Ca 0.13 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1rck n SER 95 Cb 0.44 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 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 2.19 2.00 0.08 0.46 0.00 -1.26 -3.53 105.19 105.13 1rck n GLY 96 Ca 0.66 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 1rck n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rck h ASN 97 N 0.00 0.14 -3.09 1.61 -1.24 -1.92 -3.46 115.58 107.61 1rck h ASN 97 Ca 0.00 -0.15 -0.48 0.00 0.71 0.00 0.00 56.30 56.38 1rck h ASN 97 Cb 0.00 -0.04 0.22 0.00 0.73 0.00 0.00 38.32 39.23 1rck h ASN 97 CO 0.00 1.11 -0.51 -3.20 -1.29 0.00 0.00 177.43 173.54 1rck n ASN 98 N -3.42 -1.77 -4.43 1.15 5.15 -1.23 -4.92 115.26 105.79 1rck n ASN 98 Ca -0.03 0.06 -0.26 0.00 -0.60 0.00 0.00 54.58 53.75 1rck n ASN 98 Cb 0.96 -1.17 -0.11 0.00 -0.53 0.00 0.00 39.78 38.93 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1rck s PHE 99 N -2.37 2.28 0.11 1.20 0.08 -1.26 -4.33 117.98 113.68 1rck s PHE 99 Ca 0.61 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 1rck s PHE 99 Cb -0.19 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1rck s PHE 99 CO 0.65 0.53 0.01 0.14 -0.10 0.00 0.00 175.22 176.46 1rck s VAL 100 N -1.83 0.24 0.19 -0.44 -7.23 -0.62 -4.92 120.40 105.79 1rck s VAL 100 Ca 0.22 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 1rck s VAL 100 Cb -0.07 -1.85 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 1rck s VAL 100 CO 0.11 -0.68 0.83 -0.83 -0.31 0.00 0.00 175.10 174.22 1rck s GLY 101 N -3.02 2.98 0.69 2.32 0.00 -1.26 -1.65 107.32 107.38 1rck s GLY 101 Ca 0.17 0.44 -0.09 0.00 0.00 0.00 0.00 44.72 45.24 1rck s GLY 101 CO -0.02 0.96 0.94 0.00 0.00 0.00 0.00 173.10 174.98 1rck s SER 103 N -4.53 6.23 0.00 0.00 0.15 -0.96 -1.96 113.70 112.63 1rck s SER 103 Ca 0.55 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1rck s SER 103 Cb -0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1rck s SER 103 CO 0.38 -1.43 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1rck n GLY 104 N 4.97 3.10 3.48 9.45 0.00 -1.26 -4.62 105.19 120.32 1rck n GLY 104 Ca 0.19 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.01 4.36 -2.61 2.61 2.01 -0.83 -5.08 115.64 116.10 1rck s THR 105 Ca 0.00 -0.85 0.27 0.00 0.31 0.00 0.00 61.69 61.42 1rck s THR 105 Cb 0.00 -4.81 0.47 0.00 0.01 0.00 0.00 72.50 68.17 1rck s THR 105 CO 0.00 -1.60 1.64 -3.20 -0.69 0.00 0.00 174.62 170.77