#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 -1.08 -2.80 -0.43 0.00 -1.25 -4.84 120.51 110.11 1rck n ALA 3 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 1rck n ALA 3 Cb 0.00 -1.00 -0.05 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 -3.04 4.43 -0.18 0.00 -1.32 -0.66 -4.92 115.64 109.94 1rck s THR 4 Ca 0.05 -1.20 -0.02 0.00 -1.21 0.00 0.00 61.69 59.32 1rck s THR 4 Cb -0.01 -3.30 0.05 0.00 -1.51 0.00 0.00 72.50 67.74 1rck s THR 4 CO 0.12 -0.18 -0.00 -0.89 -2.21 0.00 0.00 174.62 171.46 1rck s THR 5 N -1.87 0.79 -1.15 5.08 2.01 -1.26 -1.15 115.64 118.10 1rck s THR 5 Ca 0.31 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1rck s THR 5 Cb -0.09 -1.15 0.25 0.00 0.01 0.00 0.00 72.50 71.52 1rck s THR 5 CO 0.24 -0.07 1.43 0.00 -0.69 0.00 0.00 174.62 175.52 1rck n GLY 7 N 2.45 1.75 0.61 0.00 0.00 -1.26 -2.85 105.19 105.89 1rck n GLY 7 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 3.34 1.46 -4.61 1.61 2.88 -1.26 -5.02 113.62 112.03 1rck n SER 8 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1rck n SER 8 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.82 3.53 0.44 2.46 2.01 -1.13 -4.99 115.64 116.14 1rck s THR 9 Ca 0.00 0.56 -0.18 0.00 0.31 0.00 0.00 61.69 62.38 1rck s THR 9 Cb 0.00 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 1rck s THR 9 CO 0.00 -0.40 0.91 0.21 -0.69 0.00 0.00 174.62 174.66 1rck s ASN 10 N 5.58 6.77 -0.19 3.53 3.84 -1.26 -1.42 114.94 131.78 1rck s ASN 10 Ca 0.78 1.54 -0.04 0.00 0.21 0.00 0.00 52.86 55.34 1rck s ASN 10 Cb -0.23 -2.49 0.08 0.00 -0.55 0.00 0.00 41.25 38.07 1rck s ASN 10 CO 0.33 -0.42 0.17 -0.31 -2.79 0.00 0.00 177.10 174.09 1rck s TYR 11 N -2.32 -0.11 0.72 0.43 2.02 -0.30 -4.85 117.35 112.95 1rck s TYR 11 Ca 0.59 0.03 -0.15 0.00 -0.37 0.00 0.00 57.07 57.17 1rck s TYR 11 Cb -0.10 -0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1rck s TYR 11 CO 0.21 -0.57 1.20 -1.12 -1.57 0.00 0.00 175.55 173.71 1rck s SER 12 N 2.26 4.28 0.66 2.29 0.01 -1.26 -1.66 113.70 120.28 1rck s SER 12 Ca 0.05 2.32 0.41 0.00 1.31 0.00 0.00 55.95 60.04 1rck s SER 12 Cb -0.16 -2.59 2.25 0.00 0.21 0.00 0.00 66.02 65.74 1rck s SER 12 CO -0.11 -2.20 2.30 0.00 0.41 0.00 0.00 173.24 173.64 1rck h ALA 13 N -0.26 1.14 -0.07 1.44 0.00 -1.91 0.80 119.26 120.40 1rck h ALA 13 Ca -0.48 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1rck h ALA 13 Cb 1.29 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1rck h ALA 13 CO 0.50 -0.05 -0.60 0.77 0.00 0.00 0.00 179.25 179.88 1rck h SER 14 N 0.00 0.64 -0.14 0.00 0.02 -1.98 -2.69 113.55 109.40 1rck h SER 14 Ca 0.00 -0.68 -0.03 0.00 -0.84 0.00 0.00 61.79 60.23 1rck h SER 14 Cb 0.09 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1rck h SER 14 CO -0.00 1.23 -0.05 -0.61 -1.14 0.00 0.00 176.83 176.26 1rck h GLN 15 N 0.10 0.28 0.27 3.45 5.75 -1.23 -0.32 115.11 123.41 1rck h GLN 15 Ca -0.06 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1rck h GLN 15 Cb 1.26 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1rck h GLN 15 CO 0.12 0.58 -0.13 0.28 -2.65 0.00 0.00 178.83 177.04 1rck h VAL 16 N -0.04 0.74 -0.53 2.39 2.07 -1.32 -2.43 116.25 117.13 1rck h VAL 16 Ca 0.03 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 1rck h VAL 16 Cb 0.49 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1rck h VAL 16 CO 0.02 0.00 -0.06 -0.09 0.02 0.00 0.00 177.57 177.47 1rck h ARG 17 N -0.37 0.95 0.22 1.57 2.43 -1.54 -1.27 114.38 116.37 1rck h ARG 17 Ca -0.04 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1rck h ARG 17 Cb 0.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1rck h ARG 17 CO 0.06 0.97 -0.10 0.00 -1.51 0.00 0.00 179.97 179.39 1rck h ALA 18 N 1.06 -0.29 -0.23 2.80 0.00 -0.99 0.89 119.26 122.51 1rck h ALA 18 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rck h ALA 18 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1rck h ALA 18 CO 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 179.25 178.75 1rck h ALA 19 N 0.27 1.66 -0.01 0.00 0.00 -1.43 -2.02 119.26 117.72 1rck h ALA 19 Ca -0.03 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1rck h ALA 19 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rck h ALA 19 CO 0.05 0.26 -0.79 0.00 0.00 0.00 0.00 179.25 178.77 1rck h ALA 20 N 1.74 0.64 0.00 0.00 0.00 -0.90 -0.46 119.26 120.28 1rck h ALA 20 Ca 0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1rck h ALA 20 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1rck h ALA 20 CO -0.00 0.88 -0.23 -0.91 0.00 0.00 0.00 179.25 178.99 1rck h ASN 21 N 0.11 0.00 0.13 0.00 4.21 -0.30 0.21 115.58 119.93 1rck h ASN 21 Ca -0.03 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 1rck h ASN 21 Cb 1.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.58 1rck h ASN 21 CO 0.12 0.23 -0.06 0.00 -1.29 0.00 0.00 177.43 176.42 1rck h ALA 22 N 1.77 -0.24 -1.00 -0.83 0.00 -1.06 -2.89 119.26 115.01 1rck h ALA 22 Ca -0.00 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 55.26 1rck h ALA 22 Cb 0.66 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.35 1rck h ALA 22 CO 0.03 -0.23 0.54 0.00 0.00 0.00 0.00 179.25 179.59 1rck h ALA 23 N -1.41 2.09 0.63 0.00 0.00 -1.04 0.14 119.26 119.65 1rck h ALA 23 Ca -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1rck h ALA 23 Cb 0.13 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rck h ALA 23 CO 0.03 -0.83 -0.30 0.00 0.00 0.00 0.00 179.25 178.15 1rck h GLN 25 N -0.87 0.00 0.11 0.00 4.20 -1.09 -3.19 115.11 114.26 1rck h GLN 25 Ca -0.09 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 1rck h GLN 25 Cb 0.65 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.44 1rck h GLN 25 CO 0.14 0.13 -0.90 1.88 -0.67 0.00 0.00 178.83 179.41 1rck h TYR 26 N 0.00 0.42 0.00 2.96 -1.99 -0.75 -2.74 116.97 114.87 1rck h TYR 26 Ca -0.00 -0.30 -0.05 0.00 2.00 0.00 0.00 58.73 60.37 1rck h TYR 26 Cb 0.42 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1rck h TYR 26 CO 0.00 1.35 -0.26 -0.92 -0.00 0.00 0.00 178.16 178.33 1rck h TYR 27 N -0.47 0.00 0.14 4.88 5.03 -0.96 -3.32 116.97 122.27 1rck h TYR 27 Ca -0.18 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 1rck h TYR 27 Cb 1.58 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.86 1rck h TYR 27 CO 0.18 0.26 -0.07 1.96 -1.32 0.00 0.00 178.16 179.17 1rck h GLN 28 N 0.00 -0.18 0.00 1.82 4.20 -1.70 -3.49 115.11 115.76 1rck h GLN 28 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rck h GLN 28 Cb 0.51 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1rck h GLN 28 CO 0.03 -0.12 0.00 -1.71 -0.67 0.00 0.00 178.83 176.36 1rck n ASN 29 N -3.59 0.00 -1.55 1.46 5.15 -1.25 -5.02 115.26 110.46 1rck n ASN 29 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1rck n ASN 29 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.17 3.97 0.00 1.20 2.03 -1.03 -4.76 116.55 117.78 1rck n ASP 30 Ca 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.27 1rck n ASP 30 Cb 0.00 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1rck n ASP 30 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1rck n ASP 31 N 1.51 0.00 -2.22 1.67 -0.08 -1.26 -4.64 116.55 111.54 1rck n ASP 31 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1rck n ASP 31 Cb 0.39 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.92 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1rck n THR 32 N -0.50 0.08 -1.91 5.18 5.66 -1.26 -4.80 114.28 116.73 1rck n THR 32 Ca 0.00 -0.86 -0.31 0.00 -3.05 0.00 0.00 64.05 59.83 1rck n THR 32 Cb 0.00 0.89 0.01 0.00 -1.55 0.00 0.00 70.33 69.68 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 -0.15 3.02 0.00 1.79 0.00 -1.26 -4.94 121.76 120.21 1rck s ALA 33 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1rck s ALA 33 Cb 0.33 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1rck s ALA 33 CO -0.09 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1rck n GLY 34 N -2.40 0.27 2.01 0.00 0.00 -1.26 -4.54 105.19 99.27 1rck n GLY 34 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.20 0.00 1.61 2.88 -1.26 -4.68 113.62 111.97 1rck n SER 35 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1rck n SER 35 Cb 0.00 0.32 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 -2.65 0.00 -2.82 -3.46 7.64 -1.26 -4.93 113.62 106.14 1rck n SER 36 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1rck n SER 36 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.00 1.21 -2.83 0.44 -2.24 -1.26 -5.09 114.28 104.52 1rck n THR 37 Ca 0.00 -2.87 -0.41 0.00 -2.27 0.00 0.00 64.05 58.50 1rck n THR 37 Cb 0.00 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rck s TYR 38 N -3.65 3.70 0.01 4.78 1.51 -1.26 -2.64 117.35 119.80 1rck s TYR 38 Ca 0.26 1.60 -0.30 0.00 -1.01 0.00 0.00 57.07 57.62 1rck s TYR 38 Cb 0.33 -2.99 -0.07 0.00 -0.11 0.00 0.00 41.96 39.13 1rck s TYR 38 CO -0.04 0.12 1.56 -1.25 -1.11 0.00 0.00 175.55 174.83 1rck s PRO 39 N 0.51 4.22 0.20 -1.71 0.04 -1.26 -4.42 135.00 132.58 1rck s PRO 39 Ca 0.45 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 1rck s PRO 39 Cb -0.21 -3.69 -0.07 0.00 0.04 0.00 0.00 34.50 30.57 1rck s PRO 39 CO 0.26 -0.71 0.54 -1.01 0.04 0.00 0.00 177.00 176.12 1rck s HIS 40 N 2.92 3.48 -0.15 0.56 3.76 -1.08 -4.78 115.29 119.99 1rck s HIS 40 Ca 0.70 0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 56.24 1rck s HIS 40 Cb -0.35 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.00 1rck s HIS 40 CO 0.29 0.32 2.03 0.95 -0.85 0.00 0.00 174.74 177.49 1rck s THR 41 N -1.70 3.14 -0.87 1.30 -4.23 -1.26 -0.94 115.64 111.08 1rck s THR 41 Ca 0.44 0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.94 1rck s THR 41 Cb -0.12 -3.15 0.18 0.00 1.34 0.00 0.00 72.50 70.74 1rck s THR 41 CO 0.20 -0.07 0.93 -0.47 -0.54 0.00 0.00 174.62 174.67 1rck s TYR 42 N 6.63 3.44 -0.25 3.99 5.04 -1.05 -4.89 117.35 130.27 1rck s TYR 42 Ca 0.92 -1.68 -0.08 0.00 -2.44 0.00 0.00 57.07 53.78 1rck s TYR 42 Cb -0.34 -4.04 0.11 0.00 0.35 0.00 0.00 41.96 38.05 1rck s TYR 42 CO 0.36 -1.23 0.53 1.21 -1.34 0.00 0.00 175.55 175.09 1rck s ASN 43 N 2.88 -0.70 0.00 4.32 2.47 -1.26 -4.68 114.94 117.96 1rck s ASN 43 Ca 0.24 1.23 0.00 0.00 0.42 0.00 0.00 52.86 54.76 1rck s ASN 43 Cb -0.08 1.82 0.00 0.00 -1.45 0.00 0.00 41.25 41.54 1rck s ASN 43 CO -0.09 -0.23 0.00 0.59 -3.72 0.00 0.00 177.10 173.65 1rck n ASN 44 N 5.42 0.00 -0.06 -4.21 3.02 -1.26 -5.01 115.26 113.15 1rck n ASN 44 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1rck n ASN 44 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rck n TYR 45 N -1.03 0.00 -3.68 3.10 4.01 -1.26 -5.03 117.16 113.28 1rck n TYR 45 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1rck n TYR 45 Cb 0.00 0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.10 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1rck n GLU 46 N 0.00 -5.57 -0.08 -0.72 1.02 -1.26 -4.93 120.64 109.10 1rck n GLU 46 Ca 0.00 0.68 -0.11 0.00 -0.02 0.00 0.00 57.16 57.71 1rck n GLU 46 Cb 0.52 -5.41 -0.15 0.00 -0.02 0.00 0.00 31.44 26.38 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 -1.54 -0.91 2.80 0.62 0.00 -1.26 -4.79 105.19 100.11 1rck n GLY 47 Ca -0.22 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.52 2.35 0.42 1.61 2.19 -1.26 -5.11 117.98 115.67 1rck s PHE 48 Ca -0.12 -2.44 0.00 0.00 0.33 0.00 0.00 56.93 54.70 1rck s PHE 48 Cb 0.07 -2.13 0.00 0.00 -1.31 0.00 0.00 43.02 39.65 1rck s PHE 48 CO 0.80 -0.83 0.04 -0.25 1.83 0.00 0.00 175.22 176.81 1rck n ASP 49 N 3.92 3.09 -3.74 6.13 8.00 -1.26 -5.10 116.55 127.59 1rck n ASP 49 Ca 0.05 -2.81 -0.17 0.00 0.71 0.00 0.00 54.79 52.56 1rck n ASP 49 Cb 0.37 0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 1rck n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rck s PHE 50 N -2.49 1.54 -1.24 1.24 0.08 -1.26 -4.64 117.98 111.21 1rck s PHE 50 Ca 0.03 -1.52 -0.15 0.00 0.12 0.00 0.00 56.93 55.40 1rck s PHE 50 Cb -0.00 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 1rck s PHE 50 CO 0.02 -0.74 2.22 -0.35 -0.10 0.00 0.00 175.22 176.27 1rck n PRO 51 N -0.51 2.51 -3.96 0.24 -0.04 -1.26 -4.83 135.00 127.14 1rck n PRO 51 Ca 0.05 -2.25 -0.09 0.00 -0.04 0.00 0.00 63.50 61.17 1rck n PRO 51 Cb 0.64 -3.06 -0.09 0.00 -0.04 0.00 0.00 33.50 30.95 1rck n PRO 51 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rck s VAL 52 N 3.61 0.16 -0.11 0.52 -7.23 -1.26 -5.04 120.40 111.05 1rck s VAL 52 Ca 0.52 -1.32 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 1rck s VAL 52 Cb 0.14 -1.15 -0.26 0.00 0.56 0.00 0.00 36.38 35.67 1rck s VAL 52 CO -0.02 -0.73 0.56 -2.24 -0.31 0.00 0.00 175.10 172.36 1rck h ASP 53 N 3.35 0.31 -4.54 4.85 2.03 -2.04 -3.52 116.42 116.88 1rck h ASP 53 Ca -0.33 -0.83 0.00 0.00 -0.73 0.00 0.00 57.03 55.13 1rck h ASP 53 Cb 1.18 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1rck h ASP 53 CO 0.56 1.54 0.00 0.61 -1.03 0.00 0.00 179.24 180.92 1rck n GLY 54 N 1.69 -0.32 3.76 7.15 0.00 -1.26 -4.95 105.19 111.26 1rck n GLY 54 Ca -0.24 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.22 2.79 0.11 1.61 0.04 -1.26 -4.95 135.00 132.12 1rck s PRO 55 Ca 0.00 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.68 1rck s PRO 55 Cb 0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1rck s PRO 55 CO 0.00 -1.30 -0.12 1.52 0.04 0.00 0.00 177.00 177.14 1rck s TYR 56 N -2.02 1.24 0.11 0.56 -0.85 -1.26 -2.27 117.35 112.86 1rck s TYR 56 Ca 0.72 -0.60 0.02 0.00 -0.52 0.00 0.00 57.07 56.68 1rck s TYR 56 Cb -0.25 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.39 1rck s TYR 56 CO 0.38 0.08 -0.05 -0.65 -1.52 0.00 0.00 175.55 173.79 1rck s GLN 57 N -2.72 0.87 0.68 -3.49 -0.21 -0.81 -2.52 119.66 111.46 1rck s GLN 57 Ca 0.07 -1.37 -0.11 0.00 0.02 0.00 0.00 55.36 53.97 1rck s GLN 57 Cb -0.04 -0.19 -0.00 0.00 1.00 0.00 0.00 33.01 33.77 1rck s GLN 57 CO 0.02 -0.04 1.07 -1.21 -2.12 0.00 0.00 175.29 173.00 1rck s GLU 58 N -3.85 3.09 -0.29 2.91 2.02 -0.12 -2.03 118.70 120.42 1rck s GLU 58 Ca 0.14 0.65 0.02 0.00 0.02 0.00 0.00 54.97 55.80 1rck s GLU 58 Cb 0.05 -2.03 0.20 0.00 0.10 0.00 0.00 34.13 32.45 1rck s GLU 58 CO -0.03 -0.91 0.61 0.12 0.02 0.00 0.00 175.26 175.07 1rck s PHE 59 N -3.24 -1.70 0.12 1.61 5.36 -0.64 -3.61 117.98 115.88 1rck s PHE 59 Ca 0.57 1.32 -0.29 0.00 -0.96 0.00 0.00 56.93 57.57 1rck s PHE 59 Cb -0.12 0.42 -0.06 0.00 -0.34 0.00 0.00 43.02 42.92 1rck s PHE 59 CO 0.53 -0.97 0.92 -1.25 -1.46 0.00 0.00 175.22 173.00 1rck s PRO 60 N 2.85 4.68 0.37 10.12 0.04 -1.26 -1.52 135.00 150.28 1rck s PRO 60 Ca 0.15 1.39 0.05 0.00 0.04 0.00 0.00 61.00 62.62 1rck s PRO 60 Cb -0.12 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 31.11 1rck s PRO 60 CO -0.24 0.27 0.39 1.51 0.04 0.00 0.00 177.00 178.97 1rck n ILE 61 N 2.59 0.00 -3.60 0.56 3.06 -1.02 -3.94 119.36 117.00 1rck n ILE 61 Ca 0.01 -1.35 -0.15 0.00 -2.50 0.00 0.00 62.75 58.76 1rck n ILE 61 Cb 0.49 -0.42 -0.07 0.00 0.54 0.00 0.00 39.64 40.19 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 -3.59 0.88 -1.45 9.51 -0.14 -1.14 -4.78 119.74 119.04 1rck s LYS 62 Ca 0.29 0.77 -0.08 0.00 -1.36 0.00 0.00 55.97 55.60 1rck s LYS 62 Cb -0.02 0.42 0.04 0.00 -1.68 0.00 0.00 37.83 36.59 1rck s LYS 62 CO 0.19 -0.16 2.59 0.45 -0.76 0.00 0.00 175.35 177.65 1rck n SER 63 N 2.16 8.06 0.00 2.83 2.88 -1.26 -3.35 113.62 124.94 1rck n SER 63 Ca -0.15 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1rck n SER 63 Cb 0.56 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 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 2.58 0.42 0.00 0.46 0.00 -1.26 -5.12 105.19 102.28 1rck n GLY 64 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 3.06 3.08 -0.02 0.00 -1.21 -5.18 105.19 104.92 1rck n GLY 65 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1rck n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rck s VAL 66 N -2.00 0.59 -1.44 1.61 1.01 -1.26 -2.87 120.40 116.03 1rck s VAL 66 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 1rck s VAL 66 Cb 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1rck s VAL 66 CO 0.00 -0.42 0.48 0.00 0.00 0.00 0.00 175.10 175.16 1rck n TYR 67 N 1.31 -1.68 -2.71 5.22 0.18 -1.25 -4.94 117.16 113.28 1rck n TYR 67 Ca -0.22 0.76 -0.40 0.00 1.88 0.00 0.00 57.90 59.92 1rck n TYR 67 Cb 0.55 -3.67 -0.05 0.00 -0.38 0.00 0.00 39.34 35.79 1rck n TYR 67 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1rck s THR 68 N -3.86 4.13 0.00 -3.48 2.01 -1.26 -4.54 115.64 108.64 1rck s THR 68 Ca 0.11 2.01 0.00 0.00 0.31 0.00 0.00 61.69 64.12 1rck s THR 68 Cb -0.06 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1rck s THR 68 CO 0.89 0.43 0.12 0.61 -0.69 0.00 0.00 174.62 175.98 1rck n GLY 69 N 1.70 -0.04 3.35 4.40 0.00 -1.26 -4.50 105.19 108.84 1rck n GLY 69 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 1.49 2.47 3.95 -0.02 0.00 -1.26 -4.95 105.19 106.88 1rck n GLY 70 Ca 0.00 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 4.80 6.33 0.23 1.61 0.01 -1.26 -5.02 113.70 120.41 1rck s SER 71 Ca 0.57 0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.98 1rck s SER 71 Cb 0.06 -1.92 0.40 0.00 0.21 0.00 0.00 66.02 64.77 1rck s SER 71 CO 0.07 -0.07 1.75 -0.65 0.41 0.00 0.00 173.24 174.75 1rck h PRO 72 N 1.50 0.49 0.00 12.44 0.11 -1.97 -3.47 132.00 141.10 1rck h PRO 72 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1rck h PRO 72 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1rck h PRO 72 CO 0.64 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 1rck n GLY 73 N -1.31 0.98 0.01 -0.55 0.00 -1.26 -5.03 105.19 98.03 1rck n GLY 73 Ca 0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 0.07 -2.11 4.61 0.00 -1.26 -4.73 120.51 116.24 1rck n ALA 74 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1rck n ALA 74 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.93 5.84 -0.02 0.00 1.11 -1.26 -2.59 116.67 115.81 1rck s ASP 75 Ca -0.02 0.90 -0.00 0.00 0.18 0.00 0.00 52.55 53.61 1rck s ASP 75 Cb 0.00 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.49 1rck s ASP 75 CO 0.03 -1.82 0.03 -0.13 1.18 0.00 0.00 175.17 174.46 1rck s ARG 76 N 5.85 -0.03 0.23 8.23 0.52 -0.74 -2.45 118.95 130.55 1rck s ARG 76 Ca 0.71 0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 56.04 1rck s ARG 76 Cb -0.17 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.04 1rck s ARG 76 CO 0.30 -0.14 0.47 0.14 0.02 0.00 0.00 175.30 176.08 1rck s VAL 77 N 0.90 5.10 -0.05 3.52 -7.23 -0.58 -1.53 120.40 120.54 1rck s VAL 77 Ca -0.08 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.08 1rck s VAL 77 Cb -0.11 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.15 1rck s VAL 77 CO -0.03 -0.18 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.83 1rck s VAL 78 N -1.90 0.69 0.49 1.32 1.01 -0.31 -1.62 120.40 120.08 1rck s VAL 78 Ca 0.42 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1rck s VAL 78 Cb -0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1rck s VAL 78 CO 0.28 0.25 0.12 0.27 0.00 0.00 0.00 175.10 176.02 1rck s ILE 79 N 0.78 1.54 0.74 2.22 -4.36 -0.86 -1.48 121.20 119.78 1rck s ILE 79 Ca -0.12 -1.84 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1rck s ILE 79 Cb -0.14 -2.38 0.13 0.00 1.25 0.00 0.00 42.46 41.32 1rck s ILE 79 CO 0.01 0.00 1.02 0.21 0.24 0.00 0.00 174.94 176.42 1rck s ASN 80 N -3.95 4.25 -0.05 4.36 3.84 0.51 -1.93 114.94 121.98 1rck s ASN 80 Ca 0.21 -0.26 -0.04 0.00 0.21 0.00 0.00 52.86 52.97 1rck s ASN 80 Cb 0.02 -0.10 -0.17 0.00 -0.55 0.00 0.00 41.25 40.45 1rck s ASN 80 CO 0.12 -1.93 3.18 1.07 -2.79 0.00 0.00 177.10 176.75 1rck n THR 81 N -2.92 2.82 0.00 -5.21 5.66 -0.96 -4.24 114.28 109.43 1rck n THR 81 Ca 0.15 -1.43 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 1rck n THR 81 Cb 0.60 -1.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.54 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 2.10 0.00 -2.72 1.09 4.13 -1.26 -5.05 115.26 113.54 1rck n ASN 82 Ca 0.35 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.53 1rck n ASN 82 Cb 0.79 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 39.12 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck s GLU 84 N 0.32 0.08 0.14 0.00 2.56 -1.26 -4.97 118.70 115.57 1rck s GLU 84 Ca 0.24 0.49 -0.34 0.00 0.00 0.00 0.00 54.97 55.37 1rck s GLU 84 Cb 0.27 -0.48 -0.13 0.00 2.00 0.00 0.00 34.13 35.79 1rck s GLU 84 CO -0.11 -0.38 1.63 0.98 -0.56 0.00 0.00 175.26 176.81 1rck n TYR 85 N 5.33 2.32 -0.07 5.30 4.19 -1.26 -0.36 117.16 132.60 1rck n TYR 85 Ca -0.05 0.21 -0.09 0.00 3.31 0.00 0.00 57.90 61.29 1rck n TYR 85 Cb 0.50 -2.57 -0.03 0.00 0.49 0.00 0.00 39.34 37.73 1rck n TYR 85 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1rck n ALA 86 N 3.85 1.17 -3.81 2.98 0.00 -0.55 -4.85 120.51 119.30 1rck n ALA 86 Ca 0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 53.44 52.85 1rck n ALA 86 Cb 0.29 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -4.82 -0.05 -0.19 0.00 0.00 -1.03 -4.50 107.32 96.73 1rck s GLY 87 Ca -0.26 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1rck s GLY 87 CO 0.38 0.66 -0.12 0.00 0.00 0.00 0.00 173.10 174.02 1rck s ALA 88 N -2.89 2.06 0.22 3.20 0.00 -1.26 -1.16 121.76 121.93 1rck s ALA 88 Ca 0.15 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1rck s ALA 88 Cb -0.02 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1rck s ALA 88 CO 0.05 -0.71 0.09 0.96 0.00 0.00 0.00 175.76 176.15 1rck s ILE 89 N 1.38 4.03 -0.27 0.00 -4.36 -0.58 -1.53 121.20 119.86 1rck s ILE 89 Ca 0.00 -1.49 -0.22 0.00 -0.26 0.00 0.00 60.65 58.68 1rck s ILE 89 Cb -0.15 -3.12 0.07 0.00 1.25 0.00 0.00 42.46 40.51 1rck s ILE 89 CO -0.09 -0.27 0.70 0.28 0.24 0.00 0.00 174.94 175.80 1rck s THR 90 N -2.03 -0.00 -0.92 8.37 -1.32 -0.20 -1.79 115.64 117.74 1rck s THR 90 Ca 0.31 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.05 1rck s THR 90 Cb -0.08 -0.98 0.23 0.00 -1.51 0.00 0.00 72.50 70.16 1rck s THR 90 CO 0.22 0.00 1.82 1.41 -2.21 0.00 0.00 174.62 175.86 1rck n HIS 91 N 3.17 0.23 -0.06 9.09 8.25 -1.07 -1.04 115.22 133.79 1rck n HIS 91 Ca -0.16 0.07 -0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1rck n HIS 91 Cb 0.56 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.69 -0.10 0.00 1.59 -1.04 -1.26 -3.36 114.28 108.42 1rck n THR 92 Ca 0.06 0.62 0.00 0.00 -2.04 0.00 0.00 64.05 62.69 1rck n THR 92 Cb 0.33 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 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 -1.04 0.37 7.00 3.41 0.00 -1.26 -5.03 105.19 108.64 1rck n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.41 0.00 0.03 4.61 0.00 -1.21 -4.90 120.51 117.63 1rck n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rck n ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rck n ALA 94 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rck n SER 95 N -3.46 -0.45 0.00 0.00 3.41 -1.26 -5.02 113.62 106.84 1rck n SER 95 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1rck n SER 95 Cb 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 96 N -0.60 0.48 1.07 5.00 0.00 -1.26 -4.98 105.19 104.91 1rck n GLY 96 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.36 1.11 -4.92 1.61 0.23 -1.26 -5.10 115.26 106.57 1rck n ASN 97 Ca 0.00 -2.52 -0.27 0.00 -0.53 0.00 0.00 54.58 51.27 1rck n ASN 97 Cb 0.00 -0.35 0.03 0.00 -2.08 0.00 0.00 39.78 37.38 1rck n ASN 97 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1rck s ASN 98 N -2.21 5.56 -0.22 0.53 0.01 -1.26 -5.09 114.94 112.26 1rck s ASN 98 Ca 0.30 0.72 0.01 0.00 -0.71 0.00 0.00 52.86 53.18 1rck s ASN 98 Cb 0.33 -1.69 0.03 0.00 0.41 0.00 0.00 41.25 40.33 1rck s ASN 98 CO -0.11 -1.10 -0.14 -0.36 -1.51 0.00 0.00 177.10 173.88 1rck s PHE 99 N -3.02 2.99 0.50 2.20 0.08 -1.26 -4.44 117.98 115.02 1rck s PHE 99 Ca 0.54 -1.80 -0.02 0.00 0.12 0.00 0.00 56.93 55.77 1rck s PHE 99 Cb -0.11 -1.96 -0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1rck s PHE 99 CO 0.45 -0.80 0.75 0.14 -0.10 0.00 0.00 175.22 175.66 1rck s VAL 100 N 1.25 3.92 -0.05 -0.44 -7.23 -0.20 -4.75 120.40 112.89 1rck s VAL 100 Ca -0.00 -0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 59.67 1rck s VAL 100 Cb -0.16 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 1rck s VAL 100 CO -0.08 -0.39 0.50 -0.83 -0.31 0.00 0.00 175.10 173.99 1rck s GLY 101 N -4.24 2.49 0.29 2.32 0.00 -1.26 -1.03 107.32 105.88 1rck s GLY 101 Ca 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 45.05 1rck s GLY 101 CO 0.40 0.63 0.40 0.00 0.00 0.00 0.00 173.10 174.53 1rck s SER 103 N -2.46 5.90 0.00 0.00 0.15 -0.80 -3.06 113.70 113.42 1rck s SER 103 Ca 0.23 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1rck s SER 103 Cb -0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1rck s SER 103 CO 0.16 -2.03 0.00 0.61 1.20 0.00 0.00 173.24 173.18 1rck n GLY 104 N 6.46 0.85 3.04 9.45 0.00 -1.26 -4.35 105.19 119.37 1rck n GLY 104 Ca 0.28 -0.10 -0.04 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 0.00 -0.76 -2.10 2.61 2.01 -1.17 -4.32 115.64 111.91 1rck s THR 105 Ca 0.00 -0.03 0.31 0.00 0.31 0.00 0.00 61.69 62.28 1rck s THR 105 Cb 0.00 -0.88 0.84 0.00 0.01 0.00 0.00 72.50 72.47 1rck s THR 105 CO 0.00 -0.06 2.13 0.59 -0.69 0.00 0.00 174.62 176.59