#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 -3.38 -3.45 -1.46 0.00 -1.26 -4.93 120.51 106.02 1rck n ALA 3 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 1rck n ALA 3 Cb 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.31 0.39 -0.24 0.00 -1.32 -0.97 -4.93 115.64 107.26 1rck s THR 4 Ca 0.01 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1rck s THR 4 Cb -0.00 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1rck s THR 4 CO 0.62 0.17 -0.11 -0.89 -2.21 0.00 0.00 174.62 172.20 1rck s THR 5 N 0.69 2.45 -0.78 5.08 2.01 -1.26 -1.56 115.64 122.27 1rck s THR 5 Ca -0.08 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.63 1rck s THR 5 Cb -0.11 -2.25 0.20 0.00 0.01 0.00 0.00 72.50 70.34 1rck s THR 5 CO -0.00 0.21 0.67 0.00 -0.69 0.00 0.00 174.62 174.81 1rck n GLY 7 N 3.58 2.18 0.09 0.00 0.00 -1.26 -2.49 105.19 107.28 1rck n GLY 7 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 9.86 0.60 -4.55 1.61 3.41 -1.26 -4.79 113.62 118.49 1rck n SER 8 Ca 0.00 0.28 -0.35 0.00 -0.26 0.00 0.00 58.87 58.55 1rck n SER 8 Cb 0.00 0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.63 3.49 0.19 6.66 2.01 -1.04 -4.98 115.64 119.35 1rck s THR 9 Ca -0.06 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 1rck s THR 9 Cb 0.08 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 1rck s THR 9 CO 0.83 -1.14 0.57 0.20 -0.69 0.00 0.00 174.62 174.39 1rck s ASN 10 N 7.27 6.76 -0.05 3.53 0.01 -1.26 -1.53 114.94 129.66 1rck s ASN 10 Ca 0.62 1.05 -0.02 0.00 -0.71 0.00 0.00 52.86 53.81 1rck s ASN 10 Cb -0.08 -2.28 0.04 0.00 0.41 0.00 0.00 41.25 39.33 1rck s ASN 10 CO 0.09 0.01 0.10 -0.31 -1.51 0.00 0.00 177.10 175.48 1rck s TYR 11 N -1.64 -0.09 0.62 2.20 2.02 -0.60 -4.82 117.35 115.05 1rck s TYR 11 Ca 0.43 0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 57.33 1rck s TYR 11 Cb -0.13 -0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1rck s TYR 11 CO 0.20 -0.14 1.07 0.45 -1.57 0.00 0.00 175.55 175.56 1rck s SER 12 N 1.20 5.53 0.45 2.29 0.15 -1.26 -2.29 113.70 119.77 1rck s SER 12 Ca -0.08 1.86 0.28 0.00 0.70 0.00 0.00 55.95 58.71 1rck s SER 12 Cb -0.12 -2.54 1.54 0.00 -1.71 0.00 0.00 66.02 63.19 1rck s SER 12 CO -0.05 -1.34 1.85 0.00 1.20 0.00 0.00 173.24 174.91 1rck h ALA 13 N 0.23 1.05 0.01 5.45 0.00 -1.92 0.14 119.26 124.22 1rck h ALA 13 Ca -0.47 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 1rck h ALA 13 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rck h ALA 13 CO 0.56 -0.05 -0.95 0.77 0.00 0.00 0.00 179.25 179.58 1rck h SER 14 N 0.00 0.48 0.06 0.00 0.02 -1.99 -2.84 113.55 109.28 1rck h SER 14 Ca 0.00 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1rck h SER 14 Cb 0.13 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1rck h SER 14 CO 0.00 1.19 -0.03 1.56 -1.14 0.00 0.00 176.83 178.41 1rck h GLN 15 N 0.20 -0.08 -0.80 3.45 7.50 -1.07 -1.86 115.11 122.45 1rck h GLN 15 Ca -0.08 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 1rck h GLN 15 Cb 1.59 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 29.10 1rck h GLN 15 CO 0.16 0.48 0.47 -0.39 -1.50 0.00 0.00 178.83 178.06 1rck h VAL 16 N -0.75 1.23 -0.17 -0.54 -1.51 -1.62 -1.45 116.25 111.44 1rck h VAL 16 Ca -0.01 -0.51 -0.10 0.00 -1.23 0.00 0.00 66.70 64.86 1rck h VAL 16 Cb 0.61 0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1rck h VAL 16 CO 0.01 0.24 -0.28 -0.09 -1.23 0.00 0.00 177.57 176.22 1rck h ARG 17 N 1.10 0.49 0.35 5.19 2.43 -1.59 -2.54 114.38 119.80 1rck h ARG 17 Ca 0.29 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1rck h ARG 17 Cb -0.03 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1rck h ARG 17 CO -0.05 0.90 -0.17 0.00 -1.51 0.00 0.00 179.97 179.14 1rck h ALA 18 N 0.58 -0.47 -0.67 2.80 0.00 -1.13 -0.65 119.26 119.73 1rck h ALA 18 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1rck h ALA 18 Cb 0.86 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1rck h ALA 18 CO 0.06 -0.64 0.31 0.00 0.00 0.00 0.00 179.25 178.99 1rck h ALA 19 N -0.19 1.30 -0.28 0.00 0.00 -1.40 -1.84 119.26 116.84 1rck h ALA 19 Ca -0.05 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 19 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rck h ALA 19 CO 0.08 0.54 -0.53 0.00 0.00 0.00 0.00 179.25 179.34 1rck h ALA 20 N 1.40 0.44 0.00 0.00 0.00 -1.41 -1.83 119.26 117.86 1rck h ALA 20 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rck h ALA 20 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rck h ALA 20 CO -0.03 0.65 0.00 -0.91 0.00 0.00 0.00 179.25 178.96 1rck h ASN 21 N 0.63 0.00 0.05 0.00 -0.26 -0.82 -1.56 115.58 113.62 1rck h ASN 21 Ca 0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1rck h ASN 21 Cb 1.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1rck h ASN 21 CO 0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 177.43 176.46 1rck h ALA 22 N 2.01 -0.07 -0.60 -0.83 0.00 -0.92 -2.73 119.26 116.12 1rck h ALA 22 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1rck h ALA 22 Cb 0.29 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 1rck h ALA 22 CO 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 179.25 178.93 1rck h ALA 23 N -0.34 0.25 -0.45 0.00 0.00 -1.08 -1.05 119.26 116.60 1rck h ALA 23 Ca -0.01 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1rck h ALA 23 Cb 0.58 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1rck h ALA 23 CO 0.01 -0.51 0.23 0.00 0.00 0.00 0.00 179.25 178.98 1rck h GLN 25 N 0.47 0.91 -0.00 0.00 5.75 -0.88 -2.27 115.11 119.08 1rck h GLN 25 Ca 0.19 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1rck h GLN 25 Cb 0.08 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.43 1rck h GLN 25 CO -0.12 0.60 -0.41 0.66 -2.65 0.00 0.00 178.83 176.91 1rck n TYR 26 N -4.50 0.00 0.22 3.99 4.01 -0.83 -4.18 117.16 115.88 1rck n TYR 26 Ca 0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.95 1rck n TYR 26 Cb 0.23 -0.25 0.51 0.00 -0.31 0.00 0.00 39.34 39.53 1rck n TYR 26 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rck h TYR 27 N 0.21 0.00 0.00 -0.72 3.20 -0.58 -3.35 116.97 115.72 1rck h TYR 27 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1rck h TYR 27 Cb 0.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1rck h TYR 27 CO 0.00 0.25 0.00 1.04 -1.64 0.00 0.00 178.16 177.81 1rck n GLN 28 N -3.87 0.00 0.00 1.82 3.00 -1.26 -5.01 117.38 112.07 1rck n GLN 28 Ca -0.02 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1rck n GLN 28 Cb 0.34 -0.70 0.00 0.00 0.00 0.00 0.00 30.24 29.87 1rck n GLN 28 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1rck n ASN 29 N -1.17 0.00 -2.96 1.08 0.23 -1.26 -5.08 115.26 106.10 1rck n ASN 29 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.76 1rck n ASN 29 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1rck n ASN 29 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1rck n ASP 30 N 0.00 4.89 -1.35 0.53 9.92 -1.26 -5.06 116.55 124.21 1rck n ASP 30 Ca 0.00 -3.70 0.17 0.00 -0.53 0.00 0.00 54.79 50.73 1rck n ASP 30 Cb 0.00 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 39.77 1rck n ASP 30 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1rck n ASP 31 N -0.26 -7.54 -4.27 -2.24 5.68 -1.26 -4.65 116.55 102.01 1rck n ASP 31 Ca 0.34 1.27 -0.43 0.00 -0.50 0.00 0.00 54.79 55.46 1rck n ASP 31 Cb 0.40 -4.58 0.00 0.00 -1.14 0.00 0.00 41.12 35.80 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 -4.20 4.23 -2.29 2.12 5.66 -1.26 -4.96 114.28 113.58 1rck n THR 32 Ca -0.08 -4.51 -0.40 0.00 -3.05 0.00 0.00 64.05 56.01 1rck n THR 32 Cb 0.64 -2.43 -0.03 0.00 -1.55 0.00 0.00 70.33 66.96 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 1.50 2.58 0.00 1.79 0.00 -1.26 -4.73 121.76 121.64 1rck s ALA 33 Ca 0.43 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1rck s ALA 33 Cb 0.02 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1rck s ALA 33 CO 0.01 -3.33 0.00 0.41 0.00 0.00 0.00 175.76 172.84 1rck n GLY 34 N 5.45 2.13 0.00 0.00 0.00 -1.26 -4.17 105.19 107.34 1rck n GLY 34 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 9.92 0.00 0.00 1.61 2.88 -1.26 -4.99 113.62 121.78 1rck n SER 35 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rck n SER 35 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -1.41 0.12 -3.46 7.64 -1.26 -4.90 113.62 110.34 1rck n SER 36 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1rck n SER 36 Cb 0.00 -0.30 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 1rck n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rck h THR 37 N 0.00 1.33 -3.50 0.44 1.03 -1.95 -3.44 112.91 106.82 1rck h THR 37 Ca 0.00 -2.67 -0.52 0.00 -0.01 0.00 0.00 66.41 63.22 1rck h THR 37 Cb 0.19 2.86 -0.02 0.00 -1.07 0.00 0.00 68.15 70.11 1rck h THR 37 CO 0.00 0.80 -0.03 -0.31 -0.01 0.00 0.00 175.52 175.97 1rck s TYR 38 N -2.79 3.43 0.40 0.00 2.02 -1.26 -4.29 117.35 114.86 1rck s TYR 38 Ca -0.08 0.93 -0.26 0.00 -0.37 0.00 0.00 57.07 57.29 1rck s TYR 38 Cb 0.05 -2.32 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 1rck s TYR 38 CO 0.93 0.14 1.29 -2.14 -1.57 0.00 0.00 175.55 174.20 1rck s PRO 39 N -3.19 4.00 0.07 -1.71 0.02 -1.23 -4.93 135.00 128.03 1rck s PRO 39 Ca 0.49 2.14 0.07 0.00 0.02 0.00 0.00 61.00 63.72 1rck s PRO 39 Cb -0.11 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1rck s PRO 39 CO 0.24 -0.46 -0.14 -1.01 -0.33 0.00 0.00 177.00 175.30 1rck s HIS 40 N -1.26 2.64 0.02 6.54 3.76 -1.26 -4.83 115.29 120.90 1rck s HIS 40 Ca 0.56 -0.20 -0.33 0.00 -0.15 0.00 0.00 55.06 54.94 1rck s HIS 40 Cb -0.38 -1.44 -0.12 0.00 1.11 0.00 0.00 32.58 31.75 1rck s HIS 40 CO 0.49 0.35 1.80 -2.37 -0.85 0.00 0.00 174.74 174.16 1rck n THR 41 N 1.13 0.41 -2.83 1.30 5.66 -1.26 -2.47 114.28 116.23 1rck n THR 41 Ca -0.15 -0.07 -0.42 0.00 -3.05 0.00 0.00 64.05 60.35 1rck n THR 41 Cb 0.52 -1.86 -0.04 0.00 -1.55 0.00 0.00 70.33 67.41 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 3.08 3.27 0.92 1.09 5.04 -1.06 -4.92 117.35 124.77 1rck s TYR 42 Ca 0.87 1.13 -0.10 0.00 -2.44 0.00 0.00 57.07 56.53 1rck s TYR 42 Cb -0.64 -3.21 0.13 0.00 0.35 0.00 0.00 41.96 38.60 1rck s TYR 42 CO 0.45 -0.50 1.06 0.09 -1.34 0.00 0.00 175.55 175.31 1rck n ASN 43 N 6.22 0.05 -3.12 4.32 4.13 -1.26 -4.96 115.26 120.64 1rck n ASN 43 Ca 0.07 0.41 -0.20 0.00 1.68 0.00 0.00 54.58 56.54 1rck n ASN 43 Cb 0.47 -1.45 -0.03 0.00 -1.54 0.00 0.00 39.78 37.24 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1rck n ASN 44 N -3.85 1.86 0.00 6.41 3.02 -1.26 -4.78 115.26 116.66 1rck n ASN 44 Ca 0.11 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1rck n ASN 44 Cb 0.52 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rck n TYR 45 N 0.13 0.00 -0.10 3.10 0.18 -1.26 -4.95 117.16 114.26 1rck n TYR 45 Ca 0.27 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.95 1rck n TYR 45 Cb 0.59 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.52 1rck n TYR 45 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1rck h GLU 46 N 0.00 0.45 0.00 -3.48 4.11 -2.02 -3.48 114.58 110.16 1rck h GLU 46 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1rck h GLU 46 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1rck h GLU 46 CO 0.00 0.44 0.00 0.41 0.07 0.00 0.00 179.01 179.93 1rck n GLY 47 N -0.81 1.41 3.76 1.06 0.00 -1.26 -5.13 105.19 104.23 1rck n GLY 47 Ca -0.02 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 2.54 0.21 1.61 0.40 -1.26 -5.04 117.98 116.44 1rck s PHE 48 Ca 0.00 1.49 -0.17 0.00 -0.60 0.00 0.00 56.93 57.65 1rck s PHE 48 Cb 0.00 -3.50 0.06 0.00 0.51 0.00 0.00 43.02 40.09 1rck s PHE 48 CO 0.00 -2.09 0.83 -0.40 0.70 0.00 0.00 175.22 174.27 1rck n ASP 49 N -1.12 -1.62 -3.64 1.36 5.75 -1.26 -4.87 116.55 111.15 1rck n ASP 49 Ca 0.11 -1.94 -0.15 0.00 -0.01 0.00 0.00 54.79 52.80 1rck n ASP 49 Cb 0.48 2.66 -0.14 0.00 -1.03 0.00 0.00 41.12 43.09 1rck n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1rck s PHE 50 N -2.78 -0.32 -1.13 2.11 0.08 -1.26 -5.07 117.98 109.62 1rck s PHE 50 Ca 0.18 0.74 -0.21 0.00 0.12 0.00 0.00 56.93 57.75 1rck s PHE 50 Cb -0.03 -0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.28 1rck s PHE 50 CO 0.06 -0.36 1.69 -1.25 -0.10 0.00 0.00 175.22 175.26 1rck s PRO 51 N 2.36 3.46 0.00 0.24 0.04 -1.26 -4.64 135.00 135.20 1rck s PRO 51 Ca 0.03 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.72 1rck s PRO 51 Cb -0.13 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1rck s PRO 51 CO -0.08 -2.62 0.00 0.28 0.04 0.00 0.00 177.00 174.62 1rck n VAL 52 N 6.96 0.00 -3.57 -0.36 0.31 -1.26 -5.14 118.33 115.27 1rck n VAL 52 Ca 0.41 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.67 1rck n VAL 52 Cb 0.48 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.33 1rck n VAL 52 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1rck s ASP 53 N 1.00 -0.30 0.28 4.52 1.01 -1.26 -5.16 116.67 116.75 1rck s ASP 53 Ca 0.00 0.89 -0.19 0.00 0.71 0.00 0.00 52.55 53.96 1rck s ASP 53 Cb 0.00 1.44 -0.09 0.00 1.01 0.00 0.00 42.92 45.28 1rck s ASP 53 CO 0.00 -0.25 0.78 -0.83 0.21 0.00 0.00 175.17 175.08 1rck s GLY 54 N 2.64 2.55 0.73 0.21 0.00 -1.26 -4.25 107.32 107.94 1rck s GLY 54 Ca 0.02 0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.81 1rck s GLY 54 CO -0.14 0.52 1.11 2.56 0.00 0.00 0.00 173.10 177.15 1rck s PRO 55 N -2.35 2.39 -0.08 2.90 0.04 -1.26 -5.04 135.00 131.60 1rck s PRO 55 Ca 0.48 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.75 1rck s PRO 55 Cb -0.15 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1rck s PRO 55 CO 0.20 -1.56 0.25 1.52 0.04 0.00 0.00 177.00 177.45 1rck s TYR 56 N -2.60 -0.24 0.21 0.56 1.13 -1.26 -2.98 117.35 112.17 1rck s TYR 56 Ca 0.65 0.57 0.02 0.00 -1.41 0.00 0.00 57.07 56.90 1rck s TYR 56 Cb -0.20 0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.70 1rck s TYR 56 CO 0.49 -0.18 0.04 -0.65 -2.51 0.00 0.00 175.55 172.74 1rck s GLN 57 N -0.15 1.24 0.71 -3.49 -0.21 -0.82 -2.56 119.66 114.38 1rck s GLN 57 Ca -0.03 -1.63 -0.11 0.00 0.02 0.00 0.00 55.36 53.61 1rck s GLN 57 Cb -0.03 -0.29 0.02 0.00 1.00 0.00 0.00 33.01 33.71 1rck s GLN 57 CO 0.01 -0.19 1.10 -1.21 -2.12 0.00 0.00 175.29 172.88 1rck s GLU 58 N -3.96 2.79 -0.29 2.91 0.41 -1.03 -1.70 118.70 117.83 1rck s GLU 58 Ca 0.29 0.47 0.01 0.00 -0.41 0.00 0.00 54.97 55.34 1rck s GLU 58 Cb 0.07 -2.01 0.19 0.00 -1.78 0.00 0.00 34.13 30.60 1rck s GLU 58 CO 0.08 -1.09 0.65 0.12 -0.49 0.00 0.00 175.26 174.54 1rck s PHE 59 N -3.34 -1.60 0.22 1.61 5.36 -0.58 -3.55 117.98 116.09 1rck s PHE 59 Ca 0.58 1.22 -0.30 0.00 -0.96 0.00 0.00 56.93 57.48 1rck s PHE 59 Cb -0.11 0.38 -0.08 0.00 -0.34 0.00 0.00 43.02 42.87 1rck s PHE 59 CO 0.52 -0.91 1.11 -1.25 -1.46 0.00 0.00 175.22 173.23 1rck s PRO 60 N 2.86 4.60 0.55 10.12 0.04 -1.26 -1.31 135.00 150.60 1rck s PRO 60 Ca 0.15 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.01 1rck s PRO 60 Cb -0.11 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1rck s PRO 60 CO -0.23 0.11 0.43 -1.50 0.04 0.00 0.00 177.00 175.85 1rck s ILE 61 N -0.58 1.64 0.03 0.56 2.07 -1.04 -3.71 121.20 120.17 1rck s ILE 61 Ca 0.48 -1.46 -0.18 0.00 -1.41 0.00 0.00 60.65 58.07 1rck s ILE 61 Cb -0.31 -2.10 0.04 0.00 0.13 0.00 0.00 42.46 40.21 1rck s ILE 61 CO 0.37 0.00 0.42 -0.54 -1.91 0.00 0.00 174.94 173.28 1rck s LYS 62 N -4.31 0.90 -0.25 3.50 -0.14 -1.21 -4.59 119.74 113.63 1rck s LYS 62 Ca 0.35 -0.30 -0.05 0.00 -1.36 0.00 0.00 55.97 54.61 1rck s LYS 62 Cb -0.02 0.40 -0.19 0.00 -1.68 0.00 0.00 37.83 36.34 1rck s LYS 62 CO 0.22 -0.30 2.93 -1.13 -0.76 0.00 0.00 175.35 176.31 1rck n SER 63 N 0.64 4.77 0.00 2.83 3.41 -1.26 -3.67 113.62 120.33 1rck n SER 63 Ca -0.19 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1rck n SER 63 Cb 0.59 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 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 2.80 0.28 0.00 5.00 0.00 -1.26 -5.11 105.19 106.90 1rck n GLY 64 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.90 3.72 -0.02 0.00 -1.24 -5.10 105.19 104.44 1rck n GLY 65 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.69 4.76 0.21 1.61 1.01 -1.26 -3.29 120.40 121.74 1rck s VAL 66 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1rck s VAL 66 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1rck s VAL 66 CO 0.00 0.23 1.28 -0.47 0.00 0.00 0.00 175.10 176.14 1rck s TYR 67 N 0.60 3.28 -0.41 5.22 5.04 -1.24 -4.91 117.35 124.92 1rck s TYR 67 Ca 0.48 1.28 0.06 0.00 -2.44 0.00 0.00 57.07 56.45 1rck s TYR 67 Cb -0.21 -3.57 0.21 0.00 0.35 0.00 0.00 41.96 38.73 1rck s TYR 67 CO 0.27 -1.72 0.43 0.25 -1.34 0.00 0.00 175.55 173.44 1rck n THR 68 N 2.45 -0.89 -0.33 4.34 -2.24 -1.26 -4.73 114.28 111.62 1rck n THR 68 Ca 0.05 -3.73 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 1rck n THR 68 Cb 0.43 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1rck n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rck n GLY 69 N 2.18 3.55 2.01 3.38 0.00 -1.26 -4.96 105.19 110.10 1rck n GLY 69 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.65 3.34 -0.02 0.00 -1.26 -5.05 105.19 101.55 1rck n GLY 70 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1rck n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rck s SER 71 N -2.71 -0.36 0.47 1.61 1.04 -1.26 -4.39 113.70 108.10 1rck s SER 71 Ca 0.00 0.31 -0.23 0.00 0.48 0.00 0.00 55.95 56.50 1rck s SER 71 Cb 0.00 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 1rck s SER 71 CO 0.00 -0.51 1.26 -2.84 0.98 0.00 0.00 173.24 172.13 1rck s PRO 72 N -1.30 3.65 0.00 4.02 0.02 -1.26 -5.18 135.00 134.94 1rck s PRO 72 Ca -0.13 2.01 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1rck s PRO 72 Cb -0.03 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 32.02 1rck s PRO 72 CO 0.06 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1rck n GLY 73 N 0.59 1.66 2.36 0.52 0.00 -1.26 -5.01 105.19 104.05 1rck n GLY 73 Ca 0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.50 -3.06 4.61 0.00 -1.26 -4.94 120.51 112.35 1rck n ALA 74 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1rck n ALA 74 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1rck n ALA 74 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rck s ASP 75 N -2.25 -0.61 -0.05 0.00 -4.77 -1.26 -1.93 116.67 105.80 1rck s ASP 75 Ca 0.00 -1.68 0.03 0.00 -3.30 0.00 0.00 52.55 47.60 1rck s ASP 75 Cb 0.00 1.35 0.01 0.00 -1.09 0.00 0.00 42.92 43.18 1rck s ASP 75 CO 0.00 -0.13 -0.12 -0.13 0.70 0.00 0.00 175.17 175.49 1rck s ARG 76 N 1.08 1.51 0.43 2.11 3.00 -0.99 -2.50 118.95 123.60 1rck s ARG 76 Ca 0.25 -0.42 -0.03 0.00 0.00 0.00 0.00 55.73 55.52 1rck s ARG 76 Cb -0.03 -1.29 -0.04 0.00 0.00 0.00 0.00 34.95 33.59 1rck s ARG 76 CO -0.07 0.09 0.70 0.14 0.00 0.00 0.00 175.30 176.16 1rck s VAL 77 N 0.41 4.98 -0.02 3.52 -7.23 -0.43 -1.90 120.40 119.73 1rck s VAL 77 Ca -0.09 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 1rck s VAL 77 Cb -0.13 -3.86 0.02 0.00 0.56 0.00 0.00 36.38 32.97 1rck s VAL 77 CO 0.02 -0.74 0.01 -0.69 -0.31 0.00 0.00 175.10 173.40 1rck s VAL 78 N -2.58 0.04 0.52 1.32 1.01 0.13 -1.53 120.40 119.31 1rck s VAL 78 Ca 0.45 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1rck s VAL 78 Cb -0.10 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1rck s VAL 78 CO 0.41 0.10 0.23 2.30 0.00 0.00 0.00 175.10 178.14 1rck n ILE 79 N 4.01 0.00 -3.33 2.22 -5.35 -0.69 -2.10 119.36 114.12 1rck n ILE 79 Ca -0.25 -2.23 -0.10 0.00 -0.27 0.00 0.00 62.75 59.90 1rck n ILE 79 Cb 0.51 0.18 0.02 0.00 -1.74 0.00 0.00 39.64 38.61 1rck n ILE 79 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1rck n ASN 80 N -1.61 1.35 0.07 7.28 3.02 0.22 -1.95 115.26 123.64 1rck n ASN 80 Ca -0.10 -1.77 -0.07 0.00 -0.03 0.00 0.00 54.58 52.61 1rck n ASN 80 Cb 0.62 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 1rck n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rck h THR 81 N 0.30 1.70 0.00 3.41 1.03 -1.78 -3.40 112.91 114.16 1rck h THR 81 Ca -0.14 -3.35 0.00 0.00 -0.01 0.00 0.00 66.41 62.91 1rck h THR 81 Cb 0.57 2.81 0.00 0.00 -1.07 0.00 0.00 68.15 70.46 1rck h THR 81 CO 0.21 0.96 0.00 0.59 -0.01 0.00 0.00 175.52 177.27 1rck n ASN 82 N -3.38 0.00 0.00 0.00 3.02 -1.26 -4.95 115.26 108.68 1rck n ASN 82 Ca -0.00 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1rck n ASN 82 Cb 0.92 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.00 4.07 -0.30 0.00 2.02 -1.26 -4.88 118.70 118.35 1rck s GLU 84 Ca 0.00 1.16 -0.15 0.00 0.02 0.00 0.00 54.97 56.00 1rck s GLU 84 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1rck s GLU 84 CO 0.00 -0.18 0.39 -0.47 0.02 0.00 0.00 175.26 175.02 1rck s TYR 85 N -2.20 3.23 -0.13 1.61 6.14 -1.26 -0.61 117.35 124.13 1rck s TYR 85 Ca 0.63 0.25 -0.21 0.00 0.64 0.00 0.00 57.07 58.38 1rck s TYR 85 Cb -0.11 -2.65 -0.19 0.00 0.42 0.00 0.00 41.96 39.43 1rck s TYR 85 CO 0.18 -0.33 0.57 0.00 0.64 0.00 0.00 175.55 176.60 1rck h ALA 86 N 8.30 -0.00 0.00 3.97 0.00 -1.71 -3.48 119.26 126.34 1rck h ALA 86 Ca -0.31 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1rck h ALA 86 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rck h ALA 86 CO 0.67 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1rck n GLY 87 N 1.65 -1.30 3.25 0.00 0.00 -1.02 -5.00 105.19 102.77 1rck n GLY 87 Ca -0.07 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 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 1.44 0.12 4.61 0.00 -1.26 -0.69 121.76 124.98 1rck s ALA 88 Ca 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 1rck s ALA 88 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1rck s ALA 88 CO 0.00 -0.21 0.10 0.96 0.00 0.00 0.00 175.76 176.61 1rck s ILE 89 N -3.47 0.12 0.13 0.00 -4.36 -0.80 -2.21 121.20 110.62 1rck s ILE 89 Ca 0.20 -1.71 -0.22 0.00 -0.26 0.00 0.00 60.65 58.66 1rck s ILE 89 Cb 0.04 -1.82 0.06 0.00 1.25 0.00 0.00 42.46 42.00 1rck s ILE 89 CO 0.02 -0.56 0.57 0.28 0.24 0.00 0.00 174.94 175.49 1rck s THR 90 N -3.99 0.01 -0.13 8.37 -1.32 -0.97 -2.33 115.64 115.28 1rck s THR 90 Ca 0.17 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.29 1rck s THR 90 Cb 0.06 -1.02 -0.23 0.00 -1.51 0.00 0.00 72.50 69.80 1rck s THR 90 CO -0.02 -0.06 0.71 0.45 -2.21 0.00 0.00 174.62 173.49 1rck h HIS 91 N 2.17 -0.00 0.00 9.09 3.86 -1.68 -1.53 115.15 127.06 1rck h HIS 91 Ca -0.33 -0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.45 1rck h HIS 91 Cb 1.29 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.72 1rck h HIS 91 CO 0.26 0.87 0.94 2.41 0.86 0.00 0.00 177.93 183.27 1rck n THR 92 N -4.64 0.00 0.00 2.45 -1.04 -1.26 -1.54 114.28 108.25 1rck n THR 92 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1rck n THR 92 Cb 0.42 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 4.55 1.77 0.00 3.41 0.00 -1.26 -4.53 105.19 109.13 1rck n GLY 93 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.71 0.00 -2.93 4.61 0.00 -0.59 -4.95 120.51 115.94 1rck n ALA 94 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1rck n ALA 94 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 -1.16 0.00 0.00 2.88 -1.26 -5.11 113.62 108.96 1rck n SER 95 Ca 0.00 -3.31 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 1rck n SER 95 Cb 0.00 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.67 0.34 0.13 0.46 0.00 -1.26 -4.64 105.19 100.89 1rck n GLY 96 Ca 0.14 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.01 1.61 7.08 -1.99 -3.46 115.58 116.81 1rck h ASN 97 Ca 0.00 0.00 -0.60 0.00 -3.08 0.00 0.00 56.30 52.62 1rck h ASN 97 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.25 1rck h ASN 97 CO 0.00 0.60 1.20 -0.46 -2.08 0.00 0.00 177.43 176.69 1rck n ASN 98 N -3.28 3.47 -4.86 6.14 6.94 -1.26 -4.95 115.26 117.46 1rck n ASN 98 Ca 0.01 0.82 -0.31 0.00 -0.02 0.00 0.00 54.58 55.08 1rck n ASN 98 Cb 0.76 -1.42 -0.04 0.00 -2.36 0.00 0.00 39.78 36.73 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1rck s PHE 99 N 4.94 3.45 0.29 -2.53 0.08 -1.26 -4.48 117.98 118.47 1rck s PHE 99 Ca 0.94 1.23 0.05 0.00 0.12 0.00 0.00 56.93 59.28 1rck s PHE 99 Cb -0.61 -2.59 -0.06 0.00 -0.57 0.00 0.00 43.02 39.19 1rck s PHE 99 CO 0.48 -0.18 -0.02 0.14 -0.10 0.00 0.00 175.22 175.54 1rck s VAL 100 N -2.41 1.46 0.31 -0.44 -7.23 -0.58 -4.97 120.40 106.54 1rck s VAL 100 Ca 0.55 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 1rck s VAL 100 Cb -0.10 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 1rck s VAL 100 CO 0.29 -0.21 0.78 -0.83 -0.31 0.00 0.00 175.10 174.83 1rck s GLY 101 N -3.45 2.46 0.34 2.32 0.00 -1.26 -2.30 107.32 105.42 1rck s GLY 101 Ca 0.31 0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1rck s GLY 101 CO 0.13 0.45 0.47 0.00 0.00 0.00 0.00 173.10 174.14 1rck n SER 103 N -2.79 3.86 -1.16 0.00 3.41 -1.24 -1.84 113.62 113.86 1rck n SER 103 Ca 0.09 1.17 -0.11 0.00 -0.26 0.00 0.00 58.87 59.76 1rck n SER 103 Cb 0.31 -1.61 -0.02 0.00 -0.26 0.00 0.00 64.21 62.64 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 104 N 1.60 0.37 3.03 5.00 0.00 -1.26 -4.74 105.19 109.17 1rck n GLY 104 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.52 -0.56 0.00 2.61 2.01 -0.77 -4.91 115.64 111.50 1rck s THR 105 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1rck s THR 105 Cb 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1rck s THR 105 CO 0.00 -0.03 0.00 -3.20 -0.69 0.00 0.00 174.62 170.70