#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 1.80 -2.61 7.33 0.00 -1.26 -4.53 120.51 121.23 1rck n ALA 3 Ca 0.00 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 1rck n ALA 3 Cb 0.00 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 16.98 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 0.19 5.24 -0.40 0.00 -4.23 -0.76 -4.83 115.64 110.84 1rck s THR 4 Ca 0.69 0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 61.61 1rck s THR 4 Cb -0.59 -3.63 0.11 0.00 1.34 0.00 0.00 72.50 69.73 1rck s THR 4 CO 0.46 0.21 0.17 -0.89 -0.54 0.00 0.00 174.62 174.04 1rck s THR 5 N 1.80 2.99 -0.77 3.99 2.01 -1.26 -0.96 115.64 123.43 1rck s THR 5 Ca 0.12 -2.22 -0.11 0.00 0.31 0.00 0.00 61.69 59.79 1rck s THR 5 Cb -0.16 -3.08 0.20 0.00 0.01 0.00 0.00 72.50 69.47 1rck s THR 5 CO 0.09 -0.68 0.67 0.00 -0.69 0.00 0.00 174.62 174.02 1rck n GLY 7 N 3.84 1.59 0.51 0.00 0.00 -1.26 -2.47 105.19 107.41 1rck n GLY 7 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 3.32 1.03 -4.62 1.61 2.88 -1.26 -5.04 113.62 111.54 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 -1.57 3.58 0.11 2.46 2.01 -1.03 -4.99 115.64 116.21 1rck s THR 9 Ca 0.00 0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1rck s THR 9 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1rck s THR 9 CO 0.00 -0.35 0.19 0.54 -0.69 0.00 0.00 174.62 174.31 1rck s ASN 10 N 5.10 6.02 -0.04 3.53 2.20 -1.26 -2.00 114.94 128.50 1rck s ASN 10 Ca 0.76 0.10 -0.06 0.00 -0.94 0.00 0.00 52.86 52.72 1rck s ASN 10 Cb -0.24 -1.75 0.01 0.00 -2.00 0.00 0.00 41.25 37.27 1rck s ASN 10 CO 0.32 0.11 0.14 -0.31 -2.94 0.00 0.00 177.10 174.42 1rck s TYR 11 N -1.61 -0.08 0.67 1.54 1.51 -0.13 -5.01 117.35 114.23 1rck s TYR 11 Ca 0.33 0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 56.44 1rck s TYR 11 Cb -0.12 0.01 0.01 0.00 -0.11 0.00 0.00 41.96 41.76 1rck s TYR 11 CO 0.26 -0.15 1.13 0.45 -1.11 0.00 0.00 175.55 176.13 1rck s SER 12 N -0.45 4.93 0.66 2.29 0.15 -1.26 -1.83 113.70 118.20 1rck s SER 12 Ca -0.05 2.07 0.44 0.00 0.70 0.00 0.00 55.95 59.12 1rck s SER 12 Cb -0.03 -2.56 2.42 0.00 -1.71 0.00 0.00 66.02 64.13 1rck s SER 12 CO 0.01 -1.75 2.36 0.00 1.20 0.00 0.00 173.24 175.05 1rck h ALA 13 N -0.02 1.00 -0.13 5.45 0.00 -1.90 -0.07 119.26 123.59 1rck h ALA 13 Ca -0.47 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1rck h ALA 13 Cb 1.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1rck h ALA 13 CO 0.53 -0.00 -0.70 1.03 0.00 0.00 0.00 179.25 180.11 1rck h SER 14 N 0.00 0.85 -0.33 0.00 0.87 -1.92 -2.22 113.55 110.80 1rck h SER 14 Ca 0.00 -0.64 -0.09 0.00 -1.23 0.00 0.00 61.79 59.83 1rck h SER 14 Cb 0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1rck h SER 14 CO 0.00 1.35 -0.16 1.56 -0.53 0.00 0.00 176.83 179.05 1rck h GLN 15 N 0.40 0.69 -0.29 2.24 1.08 -1.37 0.69 115.11 118.55 1rck h GLN 15 Ca -0.05 -0.30 0.01 0.00 -1.45 0.00 0.00 58.65 56.86 1rck h GLN 15 Cb 1.34 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 1rck h GLN 15 CO 0.14 0.90 0.19 0.28 -0.95 0.00 0.00 178.83 179.39 1rck h VAL 16 N 0.45 1.06 -0.48 -0.54 2.07 -1.49 -0.51 116.25 116.82 1rck h VAL 16 Ca 0.07 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1rck h VAL 16 Cb 0.69 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1rck h VAL 16 CO 0.05 0.07 -0.07 -0.09 0.02 0.00 0.00 177.57 177.55 1rck h ARG 17 N 0.38 0.90 -0.04 1.57 1.12 -1.33 -1.39 114.38 115.59 1rck h ARG 17 Ca 0.11 -0.32 -0.00 0.00 -1.11 0.00 0.00 59.98 58.65 1rck h ARG 17 Cb -0.03 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 1rck h ARG 17 CO -0.03 0.97 0.00 0.00 -3.11 0.00 0.00 179.97 177.80 1rck h ALA 18 N 0.90 0.05 -0.76 2.80 0.00 -0.68 0.74 119.26 122.31 1rck h ALA 18 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rck h ALA 18 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1rck h ALA 18 CO 0.04 -0.31 0.50 0.00 0.00 0.00 0.00 179.25 179.48 1rck h ALA 19 N 0.74 1.50 -0.01 0.00 0.00 -1.10 -1.97 119.26 118.42 1rck h ALA 19 Ca 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1rck h ALA 19 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rck h ALA 19 CO 0.00 0.45 -0.82 0.00 0.00 0.00 0.00 179.25 178.88 1rck h ALA 20 N 1.54 0.60 0.00 0.00 0.00 -1.05 -1.20 119.26 119.15 1rck h ALA 20 Ca 0.29 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1rck h ALA 20 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rck h ALA 20 CO -0.07 0.90 -0.23 -0.97 0.00 0.00 0.00 179.25 178.88 1rck h ASN 21 N 0.10 0.00 0.03 0.00 -0.73 -0.26 -0.36 115.58 114.37 1rck h ASN 21 Ca -0.03 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 1rck h ASN 21 Cb 1.43 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.02 1rck h ASN 21 CO 0.12 0.23 -0.02 0.00 -0.37 0.00 0.00 177.43 177.40 1rck h ALA 22 N 1.77 -0.05 -0.54 1.57 0.00 -1.14 -2.85 119.26 118.02 1rck h ALA 22 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1rck h ALA 22 Cb 0.50 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1rck h ALA 22 CO 0.03 -0.05 -0.50 0.00 0.00 0.00 0.00 179.25 178.73 1rck h ALA 23 N -0.70 -0.55 -0.24 0.00 0.00 -1.18 -2.37 119.26 114.23 1rck h ALA 23 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1rck h ALA 23 Cb 0.32 1.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1rck h ALA 23 CO 0.01 -0.94 -0.11 0.00 0.00 0.00 0.00 179.25 178.21 1rck h GLN 25 N -0.07 0.55 -0.01 0.00 1.08 -1.19 -2.15 115.11 113.32 1rck h GLN 25 Ca 0.13 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1rck h GLN 25 Cb 0.26 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1rck h GLN 25 CO -0.29 0.36 -0.20 0.66 -0.95 0.00 0.00 178.83 178.42 1rck n TYR 26 N -4.47 0.00 -2.09 2.96 4.01 -0.97 -4.20 117.16 112.40 1rck n TYR 26 Ca 0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1rck n TYR 26 Cb 0.21 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.24 1rck n TYR 26 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1rck n TYR 27 N -0.20 1.74 0.00 -0.72 9.36 -0.81 -3.69 117.16 122.83 1rck n TYR 27 Ca 0.14 -1.94 0.00 0.00 3.32 0.00 0.00 57.90 59.42 1rck n TYR 27 Cb 0.38 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 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 -0.71 0.00 0.17 2.98 6.02 -1.18 -4.76 117.38 119.91 1rck n GLN 28 Ca 0.30 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1rck n GLN 28 Cb 0.89 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.52 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 -1.93 -1.86 -3.63 1.08 3.02 -1.26 -4.95 115.26 105.73 1rck n ASN 29 Ca 0.00 0.63 -0.41 0.00 -0.03 0.00 0.00 54.58 54.77 1rck n ASN 29 Cb 0.00 1.87 -0.00 0.00 -0.61 0.00 0.00 39.78 41.04 1rck n ASN 29 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1rck n ASP 30 N -3.38 6.96 -4.63 6.41 8.00 -1.26 -5.00 116.55 123.66 1rck n ASP 30 Ca 0.00 -3.15 -0.45 0.00 0.71 0.00 0.00 54.79 51.90 1rck n ASP 30 Cb 0.00 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 39.69 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 2.41 1.88 -0.08 -2.24 5.75 -1.26 -4.96 116.55 118.05 1rck n ASP 31 Ca 0.53 1.17 -0.09 0.00 -0.01 0.00 0.00 54.79 56.40 1rck n ASP 31 Cb 0.29 -1.34 -0.10 0.00 -1.03 0.00 0.00 41.12 38.93 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1rck n THR 32 N 0.72 0.99 -1.56 2.12 5.66 -1.24 -5.02 114.28 115.94 1rck n THR 32 Ca 0.10 -0.52 -0.31 0.00 -3.05 0.00 0.00 64.05 60.26 1rck n THR 32 Cb 0.32 -0.81 0.05 0.00 -1.55 0.00 0.00 70.33 68.34 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 -2.35 2.66 0.94 1.79 0.00 -1.26 -5.05 121.76 118.50 1rck s ALA 33 Ca -0.13 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 1rck s ALA 33 Cb 0.05 -3.18 0.16 0.00 0.00 0.00 0.00 23.12 20.14 1rck s ALA 33 CO 0.52 -1.25 1.09 0.20 0.00 0.00 0.00 175.76 176.32 1rck s GLY 34 N -3.74 1.60 -0.60 0.00 0.00 -1.26 -4.84 107.32 98.47 1rck s GLY 34 Ca 0.58 -0.14 0.06 0.00 0.00 0.00 0.00 44.72 45.22 1rck s GLY 34 CO 0.55 0.40 0.84 1.44 0.00 0.00 0.00 173.10 176.33 1rck n SER 35 N -4.05 4.04 0.00 1.64 7.64 -1.26 -3.56 113.62 118.08 1rck n SER 35 Ca 0.06 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.39 1rck n SER 35 Cb 0.56 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.32 0.00 -1.78 6.43 7.64 -1.26 -4.93 113.62 120.04 1rck n SER 36 Ca 0.30 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.04 1rck n SER 36 Cb 0.40 0.19 0.20 0.00 -1.01 0.00 0.00 64.21 64.00 1rck n SER 36 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rck n THR 37 N -1.85 2.92 -0.51 0.44 -2.24 -1.26 -5.07 114.28 106.72 1rck n THR 37 Ca 0.00 -2.21 0.04 0.00 -2.27 0.00 0.00 64.05 59.62 1rck n THR 37 Cb 0.00 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.81 1rck n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rck n TYR 38 N -1.04 -1.37 -2.21 4.78 4.02 -1.26 -4.93 117.16 115.14 1rck n TYR 38 Ca 0.47 0.76 -0.43 0.00 -0.01 0.00 0.00 57.90 58.70 1rck n TYR 38 Cb 1.40 -1.31 -0.02 0.00 -0.02 0.00 0.00 39.34 39.38 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1rck s PRO 39 N -3.73 4.11 0.01 -0.72 0.04 -1.23 -4.16 135.00 129.32 1rck s PRO 39 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1rck s PRO 39 Cb 0.00 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1rck s PRO 39 CO 0.00 -0.90 0.02 0.72 0.04 0.00 0.00 177.00 176.88 1rck n HIS 40 N 7.22 -2.40 -3.56 0.56 8.25 -1.24 -4.86 115.22 119.19 1rck n HIS 40 Ca 0.16 -0.06 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 1rck n HIS 40 Cb 0.44 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1rck n HIS 40 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1rck s THR 41 N 0.53 0.04 0.22 1.59 -1.32 -1.26 -1.10 115.64 114.34 1rck s THR 41 Ca 0.01 -0.36 -0.15 0.00 -1.21 0.00 0.00 61.69 59.99 1rck s THR 41 Cb -0.00 -1.08 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1rck s THR 41 CO 0.01 -0.20 0.49 -0.72 -2.21 0.00 0.00 174.62 171.99 1rck s TYR 42 N -3.53 0.12 0.06 9.09 -0.85 -1.02 -4.97 117.35 116.26 1rck s TYR 42 Ca 0.01 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 1rck s TYR 42 Cb 0.01 0.28 0.00 0.00 0.38 0.00 0.00 41.96 42.63 1rck s TYR 42 CO -0.10 -0.94 0.00 0.09 -1.52 0.00 0.00 175.55 173.07 1rck n ASN 43 N -0.35 -0.09 0.00 -0.18 4.13 -1.26 -3.03 115.26 114.48 1rck n ASN 43 Ca -0.06 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1rck n ASN 43 Cb 0.62 0.16 0.00 0.00 -1.54 0.00 0.00 39.78 39.02 1rck n ASN 43 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1rck n ASN 44 N -2.68 0.00 -0.89 6.41 5.15 -1.26 -4.99 115.26 117.01 1rck n ASN 44 Ca 0.00 0.37 0.12 0.00 -0.60 0.00 0.00 54.58 54.47 1rck n ASN 44 Cb 0.00 -0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 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 -0.68 -2.23 0.08 1.20 9.36 -1.26 -4.70 117.16 118.94 1rck n TYR 45 Ca 0.00 1.11 -0.04 0.00 3.32 0.00 0.00 57.90 62.29 1rck n TYR 45 Cb 0.00 -2.02 -0.02 0.00 -0.63 0.00 0.00 39.34 36.67 1rck n TYR 45 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1rck h GLU 46 N -0.82 -0.26 0.00 2.98 4.81 -2.06 -3.46 114.58 115.77 1rck h GLU 46 Ca 0.02 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1rck h GLU 46 Cb 0.81 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.14 1rck h GLU 46 CO 0.01 -0.17 0.01 0.41 -0.73 0.00 0.00 179.01 178.53 1rck n GLY 47 N 0.94 -0.94 2.98 1.92 0.00 -1.26 -5.11 105.19 103.72 1rck n GLY 47 Ca -0.03 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.19 0.30 1.61 0.08 -1.26 -5.15 117.98 112.44 1rck s PHE 48 Ca 0.17 0.70 0.03 0.00 0.12 0.00 0.00 56.93 57.96 1rck s PHE 48 Cb 0.26 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.72 1rck s PHE 48 CO -0.14 -0.94 0.28 -0.51 -0.10 0.00 0.00 175.22 173.80 1rck s ASP 49 N 2.63 1.11 -0.02 1.36 1.01 -1.26 -4.89 116.67 116.60 1rck s ASP 49 Ca 0.11 -1.60 0.04 0.00 0.71 0.00 0.00 52.55 51.82 1rck s ASP 49 Cb -0.13 0.53 -0.01 0.00 1.01 0.00 0.00 42.92 44.32 1rck s ASP 49 CO -0.26 -1.04 -0.15 -0.36 0.21 0.00 0.00 175.17 173.57 1rck s PHE 50 N -3.59 1.44 -1.50 4.23 0.08 -1.26 -5.06 117.98 112.32 1rck s PHE 50 Ca 0.38 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.98 1rck s PHE 50 Cb 0.03 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.52 1rck s PHE 50 CO 0.22 -0.07 2.49 -0.35 -0.10 0.00 0.00 175.22 177.41 1rck n PRO 51 N 2.90 3.13 0.00 0.24 -0.04 -1.26 -4.50 135.00 135.47 1rck n PRO 51 Ca -0.16 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1rck n PRO 51 Cb 0.54 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1rck n PRO 51 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rck n VAL 52 N 4.55 0.00 0.00 0.52 0.31 -1.26 -5.13 118.33 117.31 1rck n VAL 52 Ca 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 1rck n VAL 52 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 1rck n VAL 52 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rck n ASP 53 N 0.00 0.00 0.00 4.52 8.00 -1.26 -5.19 116.55 122.62 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 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.49 -2.20 3.68 0.44 0.00 -1.26 -4.84 105.19 100.52 1rck n GLY 54 Ca 0.00 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.53 2.40 -2.75 1.61 -0.02 -1.26 -4.87 135.00 129.58 1rck n PRO 55 Ca 0.00 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1rck n PRO 55 Cb 0.00 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 30.75 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 2.03 3.67 0.25 6.00 2.02 -1.17 -3.78 117.35 126.37 1rck s TYR 56 Ca 0.82 1.67 -0.30 0.00 -0.37 0.00 0.00 57.07 58.89 1rck s TYR 56 Cb -0.61 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 37.78 1rck s TYR 56 CO 0.40 0.03 1.09 -1.14 -1.57 0.00 0.00 175.55 174.36 1rck s GLN 57 N 0.84 4.65 0.03 -0.62 0.74 0.52 -2.42 119.66 123.40 1rck s GLN 57 Ca 0.50 1.76 -0.04 0.00 0.05 0.00 0.00 55.36 57.63 1rck s GLN 57 Cb -0.21 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 1rck s GLN 57 CO 0.27 0.20 0.26 -1.21 -0.55 0.00 0.00 175.29 174.26 1rck s GLU 58 N -1.17 3.53 -0.30 1.67 2.02 -0.26 -1.30 118.70 122.89 1rck s GLU 58 Ca 0.45 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.24 1rck s GLU 58 Cb -0.31 -3.04 0.19 0.00 0.10 0.00 0.00 34.13 31.07 1rck s GLU 58 CO 0.39 0.62 0.61 0.12 0.02 0.00 0.00 175.26 177.02 1rck s PHE 59 N -1.39 -1.59 0.03 1.61 5.36 -0.68 -3.63 117.98 117.69 1rck s PHE 59 Ca 0.31 1.73 -0.29 0.00 -0.96 0.00 0.00 56.93 57.72 1rck s PHE 59 Cb -0.13 0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 43.08 1rck s PHE 59 CO 0.20 -0.87 0.92 -1.25 -1.46 0.00 0.00 175.22 172.76 1rck s PRO 60 N 2.86 4.58 0.56 10.12 0.04 -1.26 -1.19 135.00 150.72 1rck s PRO 60 Ca 0.20 1.34 0.10 0.00 0.04 0.00 0.00 61.00 62.68 1rck s PRO 60 Cb -0.15 -3.42 0.08 0.00 0.04 0.00 0.00 34.50 31.05 1rck s PRO 60 CO -0.21 0.08 0.78 -1.50 0.04 0.00 0.00 177.00 176.19 1rck s ILE 61 N 0.56 2.20 0.02 0.56 2.07 -0.98 -4.03 121.20 121.61 1rck s ILE 61 Ca 0.48 -1.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.43 1rck s ILE 61 Cb -0.21 -2.20 0.07 0.00 0.13 0.00 0.00 42.46 40.25 1rck s ILE 61 CO 0.27 0.00 0.67 -0.75 -1.91 0.00 0.00 174.94 173.22 1rck s LYS 62 N -4.65 1.12 -1.06 3.50 2.36 -1.25 -4.63 119.74 115.13 1rck s LYS 62 Ca 0.61 -0.01 -0.08 0.00 -2.55 0.00 0.00 55.97 53.94 1rck s LYS 62 Cb -0.06 0.52 -0.13 0.00 -1.05 0.00 0.00 37.83 37.11 1rck s LYS 62 CO 0.39 -0.41 3.15 -1.13 1.55 0.00 0.00 175.35 178.90 1rck n SER 63 N 0.43 7.54 0.09 1.43 3.41 -1.26 -3.72 113.62 121.55 1rck n SER 63 Ca -0.18 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1rck n SER 63 Cb 0.60 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 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 3.06 -1.69 1.01 5.00 0.00 -1.26 -5.18 105.19 106.14 1rck n GLY 64 Ca 0.66 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 47.19 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 -1.28 1.35 3.77 -0.02 0.00 -1.24 -5.16 105.19 102.60 1rck n GLY 65 Ca 0.00 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.56 3.52 -0.37 1.61 1.01 -1.26 -3.84 120.40 118.51 1rck s VAL 66 Ca 0.05 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1rck s VAL 66 Cb -0.01 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1rck s VAL 66 CO 0.02 0.14 0.11 0.00 0.00 0.00 0.00 175.10 175.37 1rck n TYR 67 N 0.38 -0.36 -2.56 5.22 0.18 -1.26 -4.84 117.16 113.93 1rck n TYR 67 Ca 0.03 0.08 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 1rck n TYR 67 Cb 0.47 -0.75 -0.02 0.00 -0.38 0.00 0.00 39.34 38.66 1rck n TYR 67 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1rck s THR 68 N -4.07 4.00 0.00 -3.48 -4.23 -1.26 -4.78 115.64 101.82 1rck s THR 68 Ca 0.08 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1rck s THR 68 Cb -0.04 -5.11 0.00 0.00 1.34 0.00 0.00 72.50 68.69 1rck s THR 68 CO 0.27 -1.96 0.00 0.61 -0.54 0.00 0.00 174.62 173.00 1rck n GLY 69 N 6.20 0.19 0.04 3.99 0.00 -1.26 -4.81 105.19 109.54 1rck n GLY 69 Ca 0.40 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1rck n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rck h GLY 70 N 0.00 -0.09 -4.61 -0.02 0.00 -1.98 -3.43 103.07 92.95 1rck h GLY 70 Ca 0.00 0.03 -0.55 0.00 0.00 0.00 0.00 47.33 46.81 1rck h GLY 70 CO 0.00 -0.03 0.46 -0.56 0.00 0.00 0.00 176.54 176.41 1rck s SER 71 N -2.56 7.29 0.00 0.19 0.01 -1.26 -5.02 113.70 112.34 1rck s SER 71 Ca -0.01 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1rck s SER 71 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1rck s SER 71 CO 0.04 -0.36 0.03 -0.81 0.41 0.00 0.00 173.24 172.55 1rck n PRO 72 N 4.50 0.00 0.01 12.44 -0.04 -1.26 -5.00 135.00 145.65 1rck n PRO 72 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1rck n PRO 72 Cb 0.50 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1rck n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rck n GLY 73 N 1.40 -0.48 1.03 0.55 0.00 -1.26 -5.04 105.19 101.39 1rck n GLY 73 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.33 0.00 -2.40 4.61 0.00 -1.26 -4.87 120.51 114.25 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 -2.00 7.07 -0.04 0.00 2.15 -1.26 -2.42 116.67 120.16 1rck s ASP 75 Ca 0.00 2.03 -0.01 0.00 0.43 0.00 0.00 52.55 55.00 1rck s ASP 75 Cb 0.00 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1rck s ASP 75 CO 0.00 -0.48 0.03 -0.13 -0.17 0.00 0.00 175.17 174.43 1rck s ARG 76 N 1.04 0.15 0.34 4.34 0.52 -0.32 -2.31 118.95 122.73 1rck s ARG 76 Ca 0.59 0.25 -0.18 0.00 -0.52 0.00 0.00 55.73 55.87 1rck s ARG 76 Cb -0.30 -0.60 -0.10 0.00 0.52 0.00 0.00 34.95 34.47 1rck s ARG 76 CO 0.29 -0.28 0.81 0.14 0.02 0.00 0.00 175.30 176.28 1rck s VAL 77 N 1.87 4.54 -0.12 3.52 -7.23 -0.34 -2.22 120.40 120.42 1rck s VAL 77 Ca 0.02 1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 61.38 1rck s VAL 77 Cb -0.12 -3.67 0.04 0.00 0.56 0.00 0.00 36.38 33.19 1rck s VAL 77 CO -0.03 -0.14 0.04 -0.69 -0.31 0.00 0.00 175.10 173.96 1rck s VAL 78 N -1.95 0.24 0.56 1.32 1.01 -0.83 -1.68 120.40 119.07 1rck s VAL 78 Ca 0.55 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1rck s VAL 78 Cb -0.11 -0.63 0.07 0.00 0.00 0.00 0.00 36.38 35.71 1rck s VAL 78 CO 0.17 -0.01 0.71 0.27 0.00 0.00 0.00 175.10 176.25 1rck s ILE 79 N 2.01 2.13 0.64 2.22 -4.36 -0.42 -2.43 121.20 120.99 1rck s ILE 79 Ca 0.03 -1.08 -0.02 0.00 -0.26 0.00 0.00 60.65 59.32 1rck s ILE 79 Cb -0.14 -2.21 0.07 0.00 1.25 0.00 0.00 42.46 41.42 1rck s ILE 79 CO -0.07 0.00 0.90 0.21 0.24 0.00 0.00 174.94 176.23 1rck s ASN 80 N -4.58 4.89 0.44 4.36 2.47 0.68 -0.36 114.94 122.84 1rck s ASN 80 Ca 0.57 0.05 0.11 0.00 0.42 0.00 0.00 52.86 54.01 1rck s ASN 80 Cb -0.05 -0.74 0.99 0.00 -1.45 0.00 0.00 41.25 39.99 1rck s ASN 80 CO 0.36 -1.46 2.05 0.74 -3.72 0.00 0.00 177.10 175.06 1rck h THR 81 N -0.29 1.01 0.00 -5.21 2.02 -1.88 -3.32 112.91 105.25 1rck h THR 81 Ca -0.42 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1rck h THR 81 Cb 1.29 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1rck h THR 81 CO 0.51 0.08 -0.16 0.78 0.37 0.00 0.00 175.52 177.10 1rck h ASN 82 N 0.41 0.00 0.00 4.18 2.35 -1.93 -3.43 115.58 117.16 1rck h ASN 82 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1rck h ASN 82 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1rck h ASN 82 CO -0.04 0.29 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 1rck s GLU 84 N 0.00 3.62 -0.09 0.00 2.02 -1.26 -4.76 118.70 118.23 1rck s GLU 84 Ca 0.00 0.55 -0.33 0.00 0.02 0.00 0.00 54.97 55.21 1rck s GLU 84 Cb 0.00 -3.97 -0.11 0.00 0.10 0.00 0.00 34.13 30.16 1rck s GLU 84 CO 0.00 -1.52 1.96 0.98 0.02 0.00 0.00 175.26 176.69 1rck n TYR 85 N 8.27 2.30 -0.07 1.61 9.36 -1.26 -0.23 117.16 137.14 1rck n TYR 85 Ca 0.12 -0.09 -0.05 0.00 3.32 0.00 0.00 57.90 61.21 1rck n TYR 85 Cb 0.49 -2.70 -0.02 0.00 -0.63 0.00 0.00 39.34 36.49 1rck n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rck h ALA 86 N 10.26 0.01 -1.27 2.98 0.00 -1.76 -3.47 119.26 126.02 1rck h ALA 86 Ca -0.47 -0.46 0.32 0.00 0.00 0.00 0.00 54.91 54.31 1rck h ALA 86 Cb 1.27 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 19.33 1rck h ALA 86 CO 0.95 0.43 0.90 0.20 0.00 0.00 0.00 179.25 181.73 1rck s GLY 87 N -4.16 -0.35 0.16 0.00 0.00 -1.04 -5.07 107.32 96.87 1rck s GLY 87 Ca -0.13 1.31 0.08 0.00 0.00 0.00 0.00 44.72 45.97 1rck s GLY 87 CO 0.20 0.38 -0.05 0.00 0.00 0.00 0.00 173.10 173.63 1rck s ALA 88 N -2.24 3.07 0.05 3.20 0.00 -1.26 -1.97 121.76 122.60 1rck s ALA 88 Ca 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1rck s ALA 88 Cb 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1rck s ALA 88 CO -0.04 0.53 -0.04 0.96 0.00 0.00 0.00 175.76 177.16 1rck s ILE 89 N -1.58 0.29 0.02 0.00 -4.36 -0.94 -2.42 121.20 112.21 1rck s ILE 89 Ca 0.25 -1.45 -0.19 0.00 -0.26 0.00 0.00 60.65 59.00 1rck s ILE 89 Cb -0.10 -1.03 0.04 0.00 1.25 0.00 0.00 42.46 42.62 1rck s ILE 89 CO 0.16 -0.75 0.43 0.28 0.24 0.00 0.00 174.94 175.31 1rck s THR 90 N -2.78 0.05 -0.26 8.37 -1.32 -0.30 -1.17 115.64 118.22 1rck s THR 90 Ca -0.02 -0.39 0.19 0.00 -1.21 0.00 0.00 61.69 60.26 1rck s THR 90 Cb -0.00 -0.89 0.20 0.00 -1.51 0.00 0.00 72.50 70.30 1rck s THR 90 CO -0.05 -0.22 1.55 0.45 -2.21 0.00 0.00 174.62 174.14 1rck h HIS 91 N 3.16 0.00 -3.88 9.09 3.86 -1.72 -0.96 115.15 124.71 1rck h HIS 91 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 1rck h HIS 91 Cb 1.19 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.74 1rck h HIS 91 CO 0.43 0.25 0.67 -0.08 0.86 0.00 0.00 177.93 180.06 1rck s THR 92 N -3.12 2.59 0.00 2.45 -1.32 -1.26 -2.06 115.64 112.91 1rck s THR 92 Ca 0.05 0.59 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 1rck s THR 92 Cb 0.07 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1rck s THR 92 CO 0.70 0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.86 1rck n GLY 93 N 0.78 3.18 0.00 6.08 0.00 -1.26 -4.73 105.19 109.24 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 -0.86 0.00 -3.27 4.61 0.00 -0.88 -5.12 120.51 114.99 1rck n ALA 94 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1rck n ALA 94 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1rck n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rck s SER 95 N -1.00 0.12 0.00 0.00 0.01 -1.26 -5.11 113.70 106.46 1rck s SER 95 Ca 0.00 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.84 1rck s SER 95 Cb 0.00 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.29 1rck s SER 95 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1rck n GLY 96 N 4.13 0.21 0.11 3.44 0.00 -1.26 -4.65 105.19 107.17 1rck n GLY 96 Ca 0.13 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 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 0.43 -1.45 1.61 -1.24 -1.99 -3.47 115.58 109.47 1rck h ASN 97 Ca 0.00 -0.44 -0.70 0.00 0.71 0.00 0.00 56.30 55.87 1rck h ASN 97 Cb 0.00 -0.14 0.08 0.00 0.73 0.00 0.00 38.32 38.99 1rck h ASN 97 CO 0.00 1.33 0.05 -0.46 -1.29 0.00 0.00 177.43 177.06 1rck n ASN 98 N -3.56 0.41 -4.84 1.15 0.23 -1.26 -4.93 115.26 102.46 1rck n ASN 98 Ca -0.08 1.14 -0.22 0.00 -0.53 0.00 0.00 54.58 54.90 1rck n ASN 98 Cb 0.99 -1.07 -0.04 0.00 -2.08 0.00 0.00 39.78 37.58 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1rck s PHE 99 N -0.27 3.10 0.15 -2.53 0.08 -1.26 -4.55 117.98 112.69 1rck s PHE 99 Ca 0.77 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.68 1rck s PHE 99 Cb -1.00 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1rck s PHE 99 CO 0.54 0.46 0.06 0.14 -0.10 0.00 0.00 175.22 176.33 1rck s VAL 100 N -2.15 0.16 0.23 -0.44 -7.23 -0.36 -4.97 120.40 105.63 1rck s VAL 100 Ca 0.34 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.51 1rck s VAL 100 Cb -0.08 -2.13 -0.06 0.00 0.56 0.00 0.00 36.38 34.67 1rck s VAL 100 CO 0.25 -0.39 0.50 -0.83 -0.31 0.00 0.00 175.10 174.33 1rck s GLY 101 N -3.08 2.12 0.00 2.32 0.00 -1.26 -1.15 107.32 106.26 1rck s GLY 101 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1rck s GLY 101 CO 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 173.10 172.80 1rck s SER 103 N -1.00 6.50 -0.81 0.00 0.15 -1.04 -2.11 113.70 115.38 1rck s SER 103 Ca 0.00 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.37 1rck s SER 103 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1rck s SER 103 CO 0.00 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1rck n GLY 104 N 3.87 0.16 3.12 9.45 0.00 -1.26 -4.87 105.19 115.66 1rck n GLY 104 Ca 0.15 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.44 -0.62 -2.00 2.61 2.01 -0.90 -5.02 115.64 109.28 1rck s THR 105 Ca 0.00 0.09 0.22 0.00 0.31 0.00 0.00 61.69 62.32 1rck s THR 105 Cb 0.00 -0.70 0.64 0.00 0.01 0.00 0.00 72.50 72.44 1rck s THR 105 CO 0.00 0.01 1.71 -3.20 -0.69 0.00 0.00 174.62 172.45