#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 -0.44 -2.62 -0.43 0.00 -1.26 -4.48 120.51 111.28 1rck n ALA 3 Ca 0.00 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 1rck n ALA 3 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.22 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 3.98 5.31 -0.49 0.00 -4.23 -0.90 -4.40 115.64 114.91 1rck s THR 4 Ca 1.04 0.22 0.03 0.00 -1.18 0.00 0.00 61.69 61.80 1rck s THR 4 Cb -1.26 -3.54 0.13 0.00 1.34 0.00 0.00 72.50 69.17 1rck s THR 4 CO 0.70 0.28 0.24 -0.89 -0.54 0.00 0.00 174.62 174.41 1rck s THR 5 N 1.53 2.66 -0.81 3.99 2.01 -1.26 -0.62 115.64 123.14 1rck s THR 5 Ca 0.08 -3.08 -0.15 0.00 0.31 0.00 0.00 61.69 58.85 1rck s THR 5 Cb -0.15 -2.85 0.20 0.00 0.01 0.00 0.00 72.50 69.71 1rck s THR 5 CO 0.09 -0.77 0.78 0.00 -0.69 0.00 0.00 174.62 174.02 1rck n GLY 7 N 4.24 1.64 0.84 0.00 0.00 -1.26 -1.87 105.19 108.79 1rck n GLY 7 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1rck n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 8 N 3.77 0.19 -3.81 1.61 2.88 -1.26 -4.86 113.62 112.15 1rck n SER 8 Ca 0.00 -1.85 -0.30 0.00 -1.33 0.00 0.00 58.87 55.40 1rck n SER 8 Cb 0.00 -0.15 -0.15 0.00 -0.75 0.00 0.00 64.21 63.16 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rck s THR 9 N 0.00 1.17 0.18 2.46 2.01 -0.78 -5.13 115.64 115.55 1rck s THR 9 Ca 0.10 -1.48 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 1rck s THR 9 Cb 0.11 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1rck s THR 9 CO -0.05 -0.56 0.41 0.20 -0.69 0.00 0.00 174.62 173.93 1rck s ASN 10 N 1.48 6.47 0.05 3.53 -0.87 -1.26 -1.86 114.94 122.47 1rck s ASN 10 Ca 0.07 0.57 -0.11 0.00 -1.57 0.00 0.00 52.86 51.82 1rck s ASN 10 Cb -0.18 -2.08 0.01 0.00 -0.02 0.00 0.00 41.25 38.98 1rck s ASN 10 CO -0.19 -0.01 0.24 -0.31 -2.57 0.00 0.00 177.10 174.27 1rck s TYR 11 N -1.77 -0.01 0.56 2.20 1.51 0.21 -4.97 117.35 115.09 1rck s TYR 11 Ca 0.41 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 56.09 1rck s TYR 11 Cb -0.12 0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.71 1rck s TYR 11 CO 0.26 -0.48 1.04 -1.54 -1.11 0.00 0.00 175.55 173.72 1rck s SER 12 N -2.20 6.05 0.65 2.29 1.04 -1.26 -2.12 113.70 118.14 1rck s SER 12 Ca -0.03 1.76 0.41 0.00 0.48 0.00 0.00 55.95 58.57 1rck s SER 12 Cb -0.00 -2.53 2.26 0.00 0.10 0.00 0.00 66.02 65.85 1rck s SER 12 CO -0.05 -0.98 2.32 0.00 0.98 0.00 0.00 173.24 175.51 1rck h ALA 13 N 0.66 1.15 -0.27 5.32 0.00 -1.91 -0.64 119.26 123.56 1rck h ALA 13 Ca -0.47 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 1rck h ALA 13 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rck h ALA 13 CO 0.59 -0.03 -0.46 1.03 0.00 0.00 0.00 179.25 180.37 1rck h SER 14 N 0.00 0.87 -0.56 0.00 0.87 -1.92 -1.60 113.55 111.21 1rck h SER 14 Ca 0.00 -0.53 -0.11 0.00 -1.23 0.00 0.00 61.79 59.93 1rck h SER 14 Cb 0.06 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1rck h SER 14 CO -0.00 1.23 -0.07 1.56 -0.53 0.00 0.00 176.83 179.03 1rck h GLN 15 N 0.54 1.05 0.05 2.24 4.20 -1.48 0.49 115.11 122.20 1rck h GLN 15 Ca 0.02 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1rck h GLN 15 Cb 1.07 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1rck h GLN 15 CO 0.11 1.06 -0.03 0.28 -0.67 0.00 0.00 178.83 179.58 1rck h VAL 16 N 0.94 1.10 -0.76 -0.54 2.07 -1.50 -0.56 116.25 116.99 1rck h VAL 16 Ca 0.15 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1rck h VAL 16 Cb 0.63 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1rck h VAL 16 CO 0.04 0.13 0.33 0.03 0.02 0.00 0.00 177.57 178.12 1rck h ARG 17 N -0.29 1.12 -0.19 1.57 3.08 -1.25 -0.37 114.38 118.05 1rck h ARG 17 Ca -0.01 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1rck h ARG 17 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1rck h ARG 17 CO 0.01 0.89 0.02 0.00 -1.07 0.00 0.00 179.97 179.82 1rck h ALA 18 N 1.26 0.25 -0.10 0.04 0.00 -0.83 0.14 119.26 120.02 1rck h ALA 18 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rck h ALA 18 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rck h ALA 18 CO -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.05 1rck h ALA 19 N 0.81 1.63 0.19 0.00 0.00 -0.84 -0.88 119.26 120.17 1rck h ALA 19 Ca 0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1rck h ALA 19 Cb 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1rck h ALA 19 CO 0.01 0.27 -1.10 0.00 0.00 0.00 0.00 179.25 178.42 1rck h ALA 20 N 1.75 -0.12 0.00 0.00 0.00 -0.86 -1.14 119.26 118.88 1rck h ALA 20 Ca 0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1rck h ALA 20 Cb 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rck h ALA 20 CO 0.02 0.52 -0.02 -0.97 0.00 0.00 0.00 179.25 178.80 1rck h ASN 21 N -0.13 0.00 0.00 0.00 -1.24 -0.87 -0.09 115.58 113.26 1rck h ASN 21 Ca -0.19 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.82 1rck h ASN 21 Cb 1.87 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.92 1rck h ASN 21 CO 0.21 0.02 -0.00 0.00 -1.29 0.00 0.00 177.43 176.36 1rck h ALA 22 N 1.98 -0.00 -0.92 1.57 0.00 -1.16 -2.86 119.26 117.88 1rck h ALA 22 Ca -0.00 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1rck h ALA 22 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 1rck h ALA 22 CO 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 179.25 178.89 1rck h ALA 23 N -1.54 0.17 0.00 0.00 0.00 -1.18 -0.03 119.26 116.68 1rck h ALA 23 Ca -0.00 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1rck h ALA 23 Cb 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1rck h ALA 23 CO 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 179.25 178.20 1rck h GLN 25 N -0.55 -0.17 0.00 0.00 4.20 -1.19 -2.51 115.11 114.88 1rck h GLN 25 Ca 0.01 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1rck h GLN 25 Cb 0.59 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1rck h GLN 25 CO -0.29 -0.05 -0.13 1.88 -0.67 0.00 0.00 178.83 179.57 1rck h TYR 26 N -0.26 0.00 0.25 2.96 0.05 -0.96 -1.33 116.97 117.68 1rck h TYR 26 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1rck h TYR 26 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1rck h TYR 26 CO -0.04 0.13 -0.12 -0.92 -1.05 0.00 0.00 178.16 176.16 1rck h TYR 27 N 0.00 -0.31 -0.68 4.88 3.20 -0.44 -1.12 116.97 122.50 1rck h TYR 27 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1rck h TYR 27 Cb 0.25 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1rck h TYR 27 CO 0.00 0.04 0.44 1.96 -1.64 0.00 0.00 178.16 178.96 1rck h GLN 28 N -0.93 0.91 -0.08 1.82 4.20 -1.33 -2.18 115.11 117.52 1rck h GLN 28 Ca -0.03 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.42 1rck h GLN 28 Cb 0.49 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1rck h GLN 28 CO 0.06 0.61 -0.76 -0.91 -0.67 0.00 0.00 178.83 177.16 1rck h ASN 29 N 0.93 0.56 -4.13 1.46 2.35 -1.32 -3.48 115.58 111.94 1rck h ASN 29 Ca 0.25 -0.38 -0.19 0.00 -0.55 0.00 0.00 56.30 55.44 1rck h ASN 29 Cb -0.08 -0.17 0.10 0.00 0.05 0.00 0.00 38.32 38.22 1rck h ASN 29 CO -0.05 1.13 -0.45 0.47 -1.65 0.00 0.00 177.43 176.88 1rck n ASP 30 N -3.84 -2.30 -0.56 5.81 8.00 -0.44 -5.01 116.55 118.21 1rck n ASP 30 Ca -0.05 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1rck n ASP 30 Cb 0.73 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 1rck n ASP 30 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1rck n ASP 31 N -2.26 0.00 -3.85 -2.24 5.68 -1.12 -5.06 116.55 107.70 1rck n ASP 31 Ca -0.15 -0.56 -0.26 0.00 -0.50 0.00 0.00 54.79 53.32 1rck n ASP 31 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rck n THR 32 N 0.00 -3.84 -3.14 2.12 5.66 -1.26 -4.66 114.28 109.16 1rck n THR 32 Ca 0.00 -0.58 0.05 0.00 -3.05 0.00 0.00 64.05 60.47 1rck n THR 32 Cb 0.00 -3.18 0.00 0.00 -1.55 0.00 0.00 70.33 65.60 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 -3.82 -4.06 -0.10 1.79 0.00 -1.26 -4.88 121.76 109.43 1rck s ALA 33 Ca 0.09 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1rck s ALA 33 Cb -0.03 -2.84 0.12 0.00 0.00 0.00 0.00 23.12 20.36 1rck s ALA 33 CO 0.87 -2.11 1.45 0.41 0.00 0.00 0.00 175.76 176.38 1rck n GLY 34 N 5.06 2.71 0.00 0.00 0.00 -1.26 -4.38 105.19 107.32 1rck n GLY 34 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.46 0.00 0.00 1.61 2.88 -1.26 -5.05 113.62 112.26 1rck n SER 35 Ca 0.12 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1rck n SER 35 Cb 0.66 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.54 0.00 -0.24 -3.46 7.64 -1.26 -4.99 113.62 109.77 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 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.78 0.00 -2.56 0.44 5.66 -1.26 -5.11 114.28 109.67 1rck n THR 37 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1rck n THR 37 Cb 0.00 0.30 -0.03 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 3.56 -0.07 1.09 1.51 -1.26 -2.40 117.35 119.78 1rck s TYR 38 Ca 0.00 1.52 -0.30 0.00 -1.01 0.00 0.00 57.07 57.28 1rck s TYR 38 Cb 0.00 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.54 1rck s TYR 38 CO 0.00 -0.63 1.50 -2.14 -1.11 0.00 0.00 175.55 173.17 1rck s PRO 39 N 0.85 4.22 0.29 -1.71 0.02 -1.23 -4.88 135.00 132.55 1rck s PRO 39 Ca 0.55 2.01 0.10 0.00 0.02 0.00 0.00 61.00 63.67 1rck s PRO 39 Cb -0.26 -3.83 -0.05 0.00 0.02 0.00 0.00 34.50 30.39 1rck s PRO 39 CO 0.29 -0.75 -0.04 -3.38 -0.33 0.00 0.00 177.00 172.79 1rck s HIS 40 N 3.50 2.57 0.40 6.54 -3.43 -1.01 -4.82 115.29 119.04 1rck s HIS 40 Ca 0.66 -0.29 -0.25 0.00 -0.80 0.00 0.00 55.06 54.38 1rck s HIS 40 Cb -0.30 -1.22 -0.11 0.00 -1.43 0.00 0.00 32.58 29.52 1rck s HIS 40 CO 0.25 0.61 1.01 -2.37 -2.00 0.00 0.00 174.74 172.24 1rck n THR 41 N -0.85 2.33 -4.37 -5.38 5.66 -1.26 -2.59 114.28 107.81 1rck n THR 41 Ca -0.06 -0.50 -0.28 0.00 -3.05 0.00 0.00 64.05 60.17 1rck n THR 41 Cb 0.60 -1.14 -0.11 0.00 -1.55 0.00 0.00 70.33 68.13 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1rck s TYR 42 N -1.24 2.41 0.00 1.09 5.04 -0.46 -4.80 117.35 119.39 1rck s TYR 42 Ca 0.62 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1rck s TYR 42 Cb -0.58 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1rck s TYR 42 CO 0.58 0.45 0.00 0.27 -1.34 0.00 0.00 175.55 175.51 1rck n ASN 43 N 0.45 0.00 -3.84 4.32 6.94 -1.26 -4.51 115.26 117.36 1rck n ASN 43 Ca -0.14 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.16 1rck n ASN 43 Cb 0.55 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.99 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1rck n ASN 44 N 0.00 -3.07 0.00 0.53 4.13 -1.26 -4.24 115.26 111.35 1rck n ASN 44 Ca 0.00 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.44 1rck n ASN 44 Cb 0.00 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.37 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck n TYR 45 N -4.50 0.00 -3.24 3.10 4.19 -1.26 -2.60 117.16 112.85 1rck n TYR 45 Ca -0.11 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 60.85 1rck n TYR 45 Cb 0.59 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.36 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1rck n GLU 46 N 0.00 1.28 0.00 2.98 1.02 -1.26 -4.95 120.64 119.70 1rck n GLU 46 Ca 0.00 -3.65 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 1rck n GLU 46 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rck n GLY 47 N 1.11 -0.30 2.69 0.62 0.00 -1.07 -5.03 105.19 103.20 1rck n GLY 47 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 1rck n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rck s PHE 48 N -0.65 0.34 -0.05 1.61 2.19 -1.26 -5.10 117.98 115.06 1rck s PHE 48 Ca 0.00 -0.09 -0.02 0.00 0.33 0.00 0.00 56.93 57.14 1rck s PHE 48 Cb 0.00 -0.67 0.04 0.00 -1.31 0.00 0.00 43.02 41.08 1rck s PHE 48 CO 0.00 -0.34 0.09 -0.51 1.83 0.00 0.00 175.22 176.29 1rck s ASP 49 N 2.08 0.87 0.81 6.13 1.01 -1.26 -4.85 116.67 121.46 1rck s ASP 49 Ca 0.04 0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.41 1rck s ASP 49 Cb -0.13 0.01 0.16 0.00 1.01 0.00 0.00 42.92 43.96 1rck s ASP 49 CO -0.05 -0.23 1.11 -0.36 0.21 0.00 0.00 175.17 175.84 1rck s PHE 50 N 2.07 1.46 0.00 4.23 0.08 -1.26 -5.05 117.98 119.51 1rck s PHE 50 Ca 0.03 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.94 1rck s PHE 50 Cb -0.12 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1rck s PHE 50 CO -0.04 -2.07 0.90 -2.30 -0.10 0.00 0.00 175.22 171.61 1rck n PRO 51 N -3.16 0.00 0.00 0.24 -0.02 -1.26 -4.91 135.00 125.90 1rck n PRO 51 Ca 0.16 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1rck n PRO 51 Cb 0.60 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1rck n PRO 51 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rck n VAL 52 N -1.93 0.00 0.05 -1.45 0.31 -1.26 -4.81 118.33 109.23 1rck n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rck n VAL 52 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1rck n VAL 52 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1rck n ASP 53 N -3.91 0.59 -0.00 4.52 2.03 -1.26 -5.17 116.55 113.35 1rck n ASP 53 Ca 0.00 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1rck n ASP 53 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rck n GLY 54 N 2.96 1.43 2.71 0.27 0.00 -1.26 -5.05 105.19 106.25 1rck n GLY 54 Ca 0.00 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1rck n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rck n PRO 55 N 2.80 -3.33 -3.85 1.61 -0.02 -1.26 -5.05 135.00 125.89 1rck n PRO 55 Ca 0.00 -1.32 -0.09 0.00 -2.02 0.00 0.00 63.50 60.07 1rck n PRO 55 Cb 0.00 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1rck n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1rck s TYR 56 N -2.33 0.16 0.08 6.00 1.51 -1.26 -3.36 117.35 118.15 1rck s TYR 56 Ca 0.56 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1rck s TYR 56 Cb -0.07 0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.82 1rck s TYR 56 CO 0.44 -0.72 -0.12 -0.65 -1.11 0.00 0.00 175.55 173.40 1rck s GLN 57 N -3.91 0.79 0.45 -0.62 -1.52 -0.60 -1.35 119.66 112.90 1rck s GLN 57 Ca 0.11 -1.02 -0.02 0.00 -1.95 0.00 0.00 55.36 52.49 1rck s GLN 57 Cb 0.03 -0.64 -0.02 0.00 -0.22 0.00 0.00 33.01 32.16 1rck s GLN 57 CO -0.04 0.12 0.70 -1.21 -0.25 0.00 0.00 175.29 174.61 1rck s GLU 58 N -2.16 3.32 -0.34 2.91 2.02 -1.07 -1.13 118.70 122.25 1rck s GLU 58 Ca 0.00 -0.17 0.06 0.00 0.02 0.00 0.00 54.97 54.87 1rck s GLU 58 Cb -0.07 -2.50 0.19 0.00 0.10 0.00 0.00 34.13 31.85 1rck s GLU 58 CO 0.01 -0.18 0.64 0.12 0.02 0.00 0.00 175.26 175.87 1rck s PHE 59 N -2.60 -1.71 0.17 1.61 2.19 -0.50 -3.57 117.98 113.57 1rck s PHE 59 Ca 0.46 0.68 -0.31 0.00 0.33 0.00 0.00 56.93 58.09 1rck s PHE 59 Cb -0.10 0.30 -0.09 0.00 -1.31 0.00 0.00 43.02 41.82 1rck s PHE 59 CO 0.40 -1.07 1.41 -1.25 1.83 0.00 0.00 175.22 176.54 1rck s PRO 60 N 2.40 4.31 0.58 10.12 0.04 -1.26 -1.78 135.00 149.41 1rck s PRO 60 Ca 0.13 2.16 0.09 0.00 0.04 0.00 0.00 61.00 63.43 1rck s PRO 60 Cb -0.07 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.37 1rck s PRO 60 CO -0.18 -0.41 0.74 -1.50 0.04 0.00 0.00 177.00 175.69 1rck s ILE 61 N 0.61 1.98 0.09 0.56 2.07 -0.90 -4.56 121.20 121.05 1rck s ILE 61 Ca 0.62 -1.09 -0.25 0.00 -1.41 0.00 0.00 60.65 58.52 1rck s ILE 61 Cb -0.39 -2.07 0.07 0.00 0.13 0.00 0.00 42.46 40.21 1rck s ILE 61 CO 0.35 0.00 0.66 -0.54 -1.91 0.00 0.00 174.94 173.50 1rck s LYS 62 N -4.62 1.17 -1.37 3.50 1.02 -1.26 -4.71 119.74 113.47 1rck s LYS 62 Ca 0.57 -0.29 -0.06 0.00 0.02 0.00 0.00 55.97 56.21 1rck s LYS 62 Cb -0.05 0.54 0.08 0.00 -0.52 0.00 0.00 37.83 37.88 1rck s LYS 62 CO 0.36 -0.48 2.50 -1.13 -0.92 0.00 0.00 175.35 175.67 1rck n SER 63 N -0.08 8.17 -0.85 2.83 3.41 -1.26 -3.85 113.62 121.99 1rck n SER 63 Ca -0.16 -3.04 -0.03 0.00 -0.26 0.00 0.00 58.87 55.38 1rck n SER 63 Cb 0.63 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 64 N 2.04 -0.01 0.00 5.00 0.00 -1.26 -5.16 105.19 105.79 1rck n GLY 64 Ca 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.07 0.45 3.72 -0.02 0.00 -1.25 -4.90 105.19 103.11 1rck n GLY 65 Ca -0.12 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.00 3.89 -0.32 1.61 0.11 -1.26 -4.38 120.40 119.05 1rck s VAL 66 Ca 0.00 1.41 -0.29 0.00 -2.93 0.00 0.00 61.98 60.17 1rck s VAL 66 Cb 0.00 -3.90 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1rck s VAL 66 CO 0.00 0.14 0.48 0.00 -3.33 0.00 0.00 175.10 172.39 1rck n TYR 67 N 3.61 -1.93 -3.64 1.54 9.36 -1.26 -5.03 117.16 119.81 1rck n TYR 67 Ca 0.08 0.81 -0.04 0.00 3.32 0.00 0.00 57.90 62.07 1rck n TYR 67 Cb 0.46 -1.48 -0.06 0.00 -0.63 0.00 0.00 39.34 37.63 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 -1.27 -0.46 0.00 2.97 -1.32 -1.26 -5.07 115.64 109.23 1rck s THR 68 Ca 0.28 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1rck s THR 68 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1rck s THR 68 CO 0.63 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.65 1rck n GLY 69 N 4.82 -1.43 0.00 6.08 0.00 -1.26 -4.75 105.19 108.65 1rck n GLY 69 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 1.16 2.53 -0.02 0.00 -1.26 -5.06 105.19 102.54 1rck n GLY 70 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1rck n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rck s SER 71 N 0.00 3.25 0.27 1.61 0.01 -1.26 -5.13 113.70 112.45 1rck s SER 71 Ca 0.00 -1.97 -0.29 0.00 1.31 0.00 0.00 55.95 55.00 1rck s SER 71 Cb 0.00 -0.48 -0.14 0.00 0.21 0.00 0.00 66.02 65.60 1rck s SER 71 CO 0.00 -0.34 1.02 -2.65 0.41 0.00 0.00 173.24 171.68 1rck n PRO 72 N 4.35 1.28 0.00 12.44 -0.02 -1.26 -4.95 135.00 146.84 1rck n PRO 72 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1rck n PRO 72 Cb 0.38 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1rck n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rck n GLY 73 N 1.40 0.00 2.15 -1.23 0.00 -1.26 -5.04 105.19 101.21 1rck n GLY 73 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.24 1.21 -2.17 4.61 0.00 -1.26 -4.79 120.51 116.87 1rck n ALA 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1rck n ALA 74 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1rck n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rck s ASP 75 N -3.19 6.60 -0.11 0.00 1.11 -1.26 -2.52 116.67 117.30 1rck s ASP 75 Ca 0.00 1.79 -0.05 0.00 0.18 0.00 0.00 52.55 54.48 1rck s ASP 75 Cb 0.00 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.51 1rck s ASP 75 CO 0.00 -1.04 0.23 0.00 1.18 0.00 0.00 175.17 175.54 1rck s ARG 76 N 4.20 0.16 0.21 8.23 1.70 -0.75 -2.13 118.95 130.57 1rck s ARG 76 Ca 0.68 0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 56.41 1rck s ARG 76 Cb -0.26 -0.12 -0.07 0.00 -0.57 0.00 0.00 34.95 33.93 1rck s ARG 76 CO 0.26 -0.22 0.55 0.14 -1.08 0.00 0.00 175.30 174.95 1rck s VAL 77 N 1.74 4.91 -0.01 4.99 -7.23 -0.74 -2.40 120.40 121.66 1rck s VAL 77 Ca -0.05 0.58 0.02 0.00 -1.81 0.00 0.00 61.98 60.73 1rck s VAL 77 Cb -0.11 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1rck s VAL 77 CO -0.08 0.02 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.97 1rck s VAL 78 N -1.72 0.60 0.41 1.32 1.01 -0.59 -1.41 120.40 120.02 1rck s VAL 78 Ca 0.45 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1rck s VAL 78 Cb -0.12 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1rck s VAL 78 CO 0.20 0.18 0.08 2.30 0.00 0.00 0.00 175.10 177.87 1rck n ILE 79 N 3.14 0.00 -2.14 2.22 -5.35 -0.28 -1.84 119.36 115.11 1rck n ILE 79 Ca -0.16 -1.86 -0.28 0.00 -0.27 0.00 0.00 62.75 60.18 1rck n ILE 79 Cb 0.56 0.25 0.17 0.00 -1.74 0.00 0.00 39.64 38.88 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 -3.30 3.40 -0.18 7.28 -0.87 0.72 -1.56 114.94 120.43 1rck s ASN 80 Ca 0.06 0.04 0.05 0.00 -1.57 0.00 0.00 52.86 51.44 1rck s ASN 80 Cb -0.00 -0.14 0.40 0.00 -0.02 0.00 0.00 41.25 41.48 1rck s ASN 80 CO 0.04 -2.53 1.33 1.07 -2.57 0.00 0.00 177.10 174.44 1rck n THR 81 N -3.52 1.82 0.07 1.60 5.66 -1.21 -3.77 114.28 114.94 1rck n THR 81 Ca 0.16 -0.88 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 1rck n THR 81 Cb 0.60 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 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 -0.01 -0.15 0.00 1.09 3.02 -1.26 -5.02 115.26 112.93 1rck n ASN 82 Ca 0.23 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1rck n ASN 82 Cb 0.94 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 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 -0.09 4.20 0.15 0.00 2.56 -1.26 -4.76 118.70 119.50 1rck s GLU 84 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 54.97 55.79 1rck s GLU 84 Cb 0.00 -2.17 -0.07 0.00 2.00 0.00 0.00 34.13 33.88 1rck s GLU 84 CO 0.00 -0.05 1.11 -0.47 -0.56 0.00 0.00 175.26 175.29 1rck s TYR 85 N -2.19 3.57 -0.21 5.30 6.14 -1.26 -0.20 117.35 128.49 1rck s TYR 85 Ca 0.62 1.55 -0.14 0.00 0.64 0.00 0.00 57.07 59.74 1rck s TYR 85 Cb -0.09 -3.30 -0.09 0.00 0.42 0.00 0.00 41.96 38.90 1rck s TYR 85 CO 0.14 -0.71 -0.32 0.00 0.64 0.00 0.00 175.55 175.31 1rck n ALA 86 N 2.71 1.29 -3.64 3.97 0.00 -0.77 -4.80 120.51 119.27 1rck n ALA 86 Ca 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 53.44 52.57 1rck n ALA 86 Cb 0.46 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1rck n ALA 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rck s GLY 87 N -5.22 0.03 -0.19 0.00 0.00 -0.85 -4.94 107.32 96.15 1rck s GLY 87 Ca -0.31 2.64 -0.07 0.00 0.00 0.00 0.00 44.72 46.98 1rck s GLY 87 CO 0.42 1.01 0.05 0.00 0.00 0.00 0.00 173.10 174.57 1rck s ALA 88 N -1.24 3.28 0.12 3.20 0.00 -1.26 -1.54 121.76 124.32 1rck s ALA 88 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1rck s ALA 88 Cb -0.01 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1rck s ALA 88 CO -0.07 0.03 -0.10 0.96 0.00 0.00 0.00 175.76 176.58 1rck s ILE 89 N 0.65 1.07 -0.01 0.00 -4.36 -1.01 -1.50 121.20 116.05 1rck s ILE 89 Ca 0.02 -1.85 -0.27 0.00 -0.26 0.00 0.00 60.65 58.29 1rck s ILE 89 Cb -0.13 -1.61 0.06 0.00 1.25 0.00 0.00 42.46 42.03 1rck s ILE 89 CO 0.02 -0.65 0.60 0.28 0.24 0.00 0.00 174.94 175.43 1rck s THR 90 N -2.87 0.01 -0.40 8.37 -1.32 -0.27 -1.81 115.64 117.35 1rck s THR 90 Ca 0.11 -0.10 0.22 0.00 -1.21 0.00 0.00 61.69 60.71 1rck s THR 90 Cb -0.00 -0.95 0.30 0.00 -1.51 0.00 0.00 72.50 70.34 1rck s THR 90 CO 0.00 -0.06 1.58 0.45 -2.21 0.00 0.00 174.62 174.38 1rck h HIS 91 N 2.97 0.00 -0.11 9.09 3.86 -1.67 -2.43 115.15 126.87 1rck h HIS 91 Ca -0.29 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.95 1rck h HIS 91 Cb 1.17 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.58 1rck h HIS 91 CO 0.38 0.06 -0.53 1.15 0.86 0.00 0.00 177.93 179.85 1rck h THR 92 N 0.00 0.02 0.00 2.45 2.02 -1.87 -2.12 112.91 113.40 1rck h THR 92 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1rck h THR 92 Cb 1.04 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1rck h THR 92 CO 0.01 0.00 -0.45 1.23 0.37 0.00 0.00 175.52 176.68 1rck h GLY 93 N -0.60 0.00 -0.92 2.16 0.00 -1.81 -3.46 103.07 98.44 1rck h GLY 93 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.93 1rck h GLY 93 CO -0.42 0.00 0.13 0.00 0.00 0.00 0.00 176.54 176.25 1rck s ALA 94 N -3.63 0.49 0.07 3.60 0.00 -0.80 -4.99 121.76 116.50 1rck s ALA 94 Ca -0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1rck s ALA 94 Cb 0.12 -3.06 -0.18 0.00 0.00 0.00 0.00 23.12 20.00 1rck s ALA 94 CO 0.71 -3.32 1.61 1.03 0.00 0.00 0.00 175.76 175.79 1rck h SER 95 N -2.30 -0.54 0.00 0.00 0.87 -1.85 -3.48 113.55 106.25 1rck h SER 95 Ca -0.53 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1rck h SER 95 Cb 1.33 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1rck h SER 95 CO 0.49 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1rck n GLY 96 N -1.25 -1.11 0.15 5.77 0.00 -1.26 -4.98 105.19 102.51 1rck n GLY 96 Ca -0.12 0.51 0.04 0.00 0.00 0.00 0.00 46.02 46.45 1rck n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1rck h ASN 97 N 0.00 0.00 -3.01 1.61 7.08 -1.93 -3.46 115.58 115.87 1rck h ASN 97 Ca 0.00 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 52.89 1rck h ASN 97 Cb 0.00 0.00 0.17 0.00 -2.08 0.00 0.00 38.32 36.41 1rck h ASN 97 CO 0.00 0.41 0.07 0.59 -2.08 0.00 0.00 177.43 176.42 1rck n ASN 98 N -3.19 -2.13 -4.32 6.14 3.02 -1.26 -4.96 115.26 108.55 1rck n ASN 98 Ca 0.02 -1.02 -0.17 0.00 -0.03 0.00 0.00 54.58 53.38 1rck n ASN 98 Cb 0.70 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.57 1.59 0.11 3.10 0.08 -1.26 -4.24 117.98 114.78 1rck s PHE 99 Ca 0.59 -0.65 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 1rck s PHE 99 Cb -0.06 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1rck s PHE 99 CO 0.46 0.26 0.25 0.14 -0.10 0.00 0.00 175.22 176.22 1rck s VAL 100 N -3.10 0.11 0.43 -0.44 -7.23 -0.91 -4.83 120.40 104.44 1rck s VAL 100 Ca 0.21 -1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1rck s VAL 100 Cb 0.01 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 1rck s VAL 100 CO 0.05 -0.51 0.68 -0.83 -0.31 0.00 0.00 175.10 174.18 1rck s GLY 101 N -2.88 1.46 0.10 2.32 0.00 -1.25 -1.11 107.32 105.97 1rck s GLY 101 Ca 0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.91 1rck s GLY 101 CO -0.09 -0.65 0.22 0.00 0.00 0.00 0.00 173.10 172.58 1rck n SER 103 N -0.09 -3.94 -2.12 0.00 2.88 -1.26 -3.66 113.62 105.43 1rck n SER 103 Ca -0.14 -0.33 -0.19 0.00 -1.33 0.00 0.00 58.87 56.87 1rck n SER 103 Cb 0.63 -2.73 -0.02 0.00 -0.75 0.00 0.00 64.21 61.33 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 104 N -1.33 -0.14 3.16 0.46 0.00 -1.26 -4.92 105.19 101.16 1rck n GLY 104 Ca -0.05 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.93 3.15 -2.00 2.61 2.01 -1.24 -5.18 115.64 112.06 1rck s THR 105 Ca 0.00 -1.62 0.16 0.00 0.31 0.00 0.00 61.69 60.54 1rck s THR 105 Cb 0.00 -2.95 0.44 0.00 0.01 0.00 0.00 72.50 70.01 1rck s THR 105 CO 0.00 -0.33 1.34 -3.20 -0.69 0.00 0.00 174.62 171.74