#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 -2.01 -2.77 7.33 0.00 -1.25 -4.82 120.51 116.99 1rck n ALA 3 Ca 0.00 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1rck n ALA 3 Cb 0.00 -3.83 -0.10 0.00 0.00 0.00 0.00 19.45 15.52 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 -3.24 4.19 -0.35 0.00 -1.32 -0.44 -4.89 115.64 109.60 1rck s THR 4 Ca 0.28 -0.28 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 1rck s THR 4 Cb -0.04 -2.79 0.05 0.00 -1.51 0.00 0.00 72.50 68.21 1rck s THR 4 CO 0.54 0.56 0.11 -0.89 -2.21 0.00 0.00 174.62 172.73 1rck s THR 5 N -0.38 3.63 -1.02 5.08 2.01 -1.26 -1.13 115.64 122.58 1rck s THR 5 Ca 0.07 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.63 1rck s THR 5 Cb -0.12 -3.12 0.19 0.00 0.01 0.00 0.00 72.50 69.46 1rck s THR 5 CO 0.02 -0.25 1.11 0.00 -0.69 0.00 0.00 174.62 174.81 1rck n GLY 7 N 4.17 1.39 0.13 0.00 0.00 -1.26 -2.62 105.19 107.00 1rck n GLY 7 Ca 0.25 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 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 9.05 1.99 -4.60 1.61 3.41 -1.26 -4.87 113.62 118.94 1rck n SER 8 Ca 0.00 0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 1rck n SER 8 Cb 0.00 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 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 -2.49 3.61 0.31 6.66 2.01 -1.08 -4.99 115.64 119.67 1rck s THR 9 Ca -0.30 0.63 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1rck s THR 9 Cb 0.09 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 1rck s THR 9 CO 0.63 -0.49 0.77 0.20 -0.69 0.00 0.00 174.62 175.04 1rck s ASN 10 N 5.33 6.88 -0.15 3.53 -0.87 -1.26 -1.48 114.94 126.93 1rck s ASN 10 Ca 0.74 1.39 -0.04 0.00 -1.57 0.00 0.00 52.86 53.38 1rck s ASN 10 Cb -0.20 -2.41 0.06 0.00 -0.02 0.00 0.00 41.25 38.68 1rck s ASN 10 CO 0.33 -0.17 0.14 -0.31 -2.57 0.00 0.00 177.10 174.52 1rck s TYR 11 N -1.89 -0.02 0.78 2.20 2.02 -0.28 -4.92 117.35 115.24 1rck s TYR 11 Ca 0.53 0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 57.16 1rck s TYR 11 Cb -0.12 -0.50 0.06 0.00 -0.40 0.00 0.00 41.96 41.01 1rck s TYR 11 CO 0.18 -0.46 1.14 0.45 -1.57 0.00 0.00 175.55 175.29 1rck s SER 12 N 2.22 4.12 0.62 2.29 0.15 -1.26 -1.33 113.70 120.51 1rck s SER 12 Ca 0.04 2.09 0.38 0.00 0.70 0.00 0.00 55.95 59.16 1rck s SER 12 Cb -0.15 -2.56 2.04 0.00 -1.71 0.00 0.00 66.02 63.65 1rck s SER 12 CO -0.09 -2.30 2.15 0.00 1.20 0.00 0.00 173.24 174.20 1rck h ALA 13 N -0.88 1.09 -0.09 5.45 0.00 -1.90 0.55 119.26 123.48 1rck h ALA 13 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 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 0.49 -0.09 -0.43 0.77 0.00 0.00 0.00 179.25 179.99 1rck h SER 14 N 0.00 0.52 -0.15 0.00 0.02 -1.98 -2.68 113.55 109.28 1rck h SER 14 Ca 0.00 -0.65 -0.12 0.00 -0.84 0.00 0.00 61.79 60.19 1rck h SER 14 Cb 0.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1rck h SER 14 CO 0.00 1.09 -0.36 1.56 -1.14 0.00 0.00 176.83 177.98 1rck h GLN 15 N -0.00 0.51 0.08 3.45 4.20 -1.28 -0.85 115.11 121.21 1rck h GLN 15 Ca -0.03 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1rck h GLN 15 Cb 1.08 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1rck h GLN 15 CO 0.09 0.96 -0.07 0.28 -0.67 0.00 0.00 178.83 179.42 1rck h VAL 16 N 0.13 0.85 -0.59 -0.54 2.07 -1.33 -1.95 116.25 114.89 1rck h VAL 16 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1rck h VAL 16 Cb 0.97 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1rck h VAL 16 CO 0.08 0.00 0.16 -0.09 0.02 0.00 0.00 177.57 177.74 1rck h ARG 17 N -0.16 0.94 0.33 1.57 1.12 -1.53 -1.69 114.38 114.96 1rck h ARG 17 Ca 0.00 -0.21 -0.02 0.00 -1.11 0.00 0.00 59.98 58.64 1rck h ARG 17 Cb 0.15 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 1rck h ARG 17 CO -0.01 0.85 -0.16 0.00 -3.11 0.00 0.00 179.97 177.54 1rck h ALA 18 N 1.04 -0.45 -0.38 2.80 0.00 -1.05 0.43 119.26 121.66 1rck h ALA 18 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rck h ALA 18 Cb 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1rck h ALA 18 CO -0.00 -0.62 0.25 0.00 0.00 0.00 0.00 179.25 178.88 1rck h ALA 19 N -0.16 1.73 0.03 0.00 0.00 -1.39 -1.84 119.26 117.64 1rck h ALA 19 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1rck h ALA 19 Cb 0.49 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rck h ALA 19 CO 0.07 0.25 -0.58 0.00 0.00 0.00 0.00 179.25 179.00 1rck h ALA 20 N 1.77 0.03 0.00 0.00 0.00 -1.21 -2.85 119.26 116.99 1rck h ALA 20 Ca 0.14 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rck h ALA 20 Cb -0.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rck h ALA 20 CO -0.03 0.31 -0.02 -0.97 0.00 0.00 0.00 179.25 178.53 1rck h ASN 21 N -0.25 0.00 0.07 0.00 -1.24 -0.70 -0.97 115.58 112.50 1rck h ASN 21 Ca -0.08 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 1rck h ASN 21 Cb 1.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.38 1rck h ASN 21 CO 0.11 0.02 -0.04 0.00 -1.29 0.00 0.00 177.43 176.24 1rck h ALA 22 N 1.98 -0.20 -0.82 1.57 0.00 -1.29 -2.80 119.26 117.70 1rck h ALA 22 Ca -0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1rck h ALA 22 Cb 0.12 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 1rck h ALA 22 CO 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 179.25 178.97 1rck h ALA 23 N -1.61 0.73 -0.16 0.00 0.00 -1.42 -1.70 119.26 115.10 1rck h ALA 23 Ca -0.01 0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1rck h ALA 23 Cb 0.08 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1rck h ALA 23 CO 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 179.25 178.67 1rck h GLN 25 N -0.18 1.13 -0.27 0.00 5.75 -1.03 -2.86 115.11 117.65 1rck h GLN 25 Ca 0.10 -0.07 -0.17 0.00 -0.15 0.00 0.00 58.65 58.37 1rck h GLN 25 Cb 0.34 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1rck h GLN 25 CO -0.27 0.75 -0.51 1.88 -2.65 0.00 0.00 178.83 178.03 1rck h TYR 26 N 1.16 0.94 -0.37 3.99 0.05 -1.14 -3.23 116.97 118.37 1rck h TYR 26 Ca 0.38 -0.32 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1rck h TYR 26 Cb 0.04 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 1rck h TYR 26 CO -0.01 1.11 0.10 0.98 -1.05 0.00 0.00 178.16 179.29 1rck n TYR 27 N -4.00 1.26 -0.07 4.88 9.36 -0.70 -2.50 117.16 125.40 1rck n TYR 27 Ca -0.03 -0.62 -0.14 0.00 3.32 0.00 0.00 57.90 60.43 1rck n TYR 27 Cb 0.60 -0.41 -0.05 0.00 -0.63 0.00 0.00 39.34 38.85 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 0.14 0.29 0.01 2.98 6.02 -1.16 -4.73 117.38 120.93 1rck n GLN 28 Ca 0.20 0.12 -0.16 0.00 -0.01 0.00 0.00 57.00 57.15 1rck n GLN 28 Cb 0.86 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.05 1rck n GLN 28 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1rck h ASN 29 N -0.44 0.82 0.00 1.08 7.08 -1.67 -3.49 115.58 118.96 1rck h ASN 29 Ca -0.34 -0.57 0.00 0.00 -3.08 0.00 0.00 56.30 52.31 1rck h ASN 29 Cb 1.32 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 37.31 1rck h ASN 29 CO -0.19 1.36 0.00 0.47 -2.08 0.00 0.00 177.43 176.99 1rck n ASP 30 N -3.89 0.00 -3.71 6.14 8.00 -1.22 -5.17 116.55 116.70 1rck n ASP 30 Ca -0.07 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 1rck n ASP 30 Cb 0.77 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.77 1rck n ASP 30 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rck s ASP 31 N -0.88 -0.48 -0.11 -2.24 1.01 -1.04 -5.08 116.67 107.85 1rck s ASP 31 Ca 0.00 0.88 -0.09 0.00 0.71 0.00 0.00 52.55 54.05 1rck s ASP 31 Cb 0.00 0.85 -0.08 0.00 1.01 0.00 0.00 42.92 44.70 1rck s ASP 31 CO 0.00 -0.17 0.23 0.71 0.21 0.00 0.00 175.17 176.15 1rck h THR 32 N 4.85 0.55 -5.14 -1.27 1.35 -1.93 -3.38 112.91 107.94 1rck h THR 32 Ca -0.30 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1rck h THR 32 Cb 1.18 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1rck h THR 32 CO 0.26 0.19 -0.61 0.00 -0.25 0.00 0.00 175.52 175.10 1rck n ALA 33 N -2.75 -3.14 0.00 6.62 0.00 -1.26 -4.16 120.51 115.82 1rck n ALA 33 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1rck n ALA 33 Cb 0.16 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1rck n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 34 N -0.04 3.82 3.21 0.00 0.00 -1.26 -4.82 105.19 106.08 1rck n GLY 34 Ca 0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 -7.15 0.00 1.61 2.88 -1.26 -4.98 113.62 104.72 1rck n SER 35 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1rck n SER 35 Cb 0.00 -4.83 0.00 0.00 -0.75 0.00 0.00 64.21 58.63 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 -2.20 0.00 -2.66 -3.46 7.64 -1.26 -5.06 113.62 106.63 1rck n SER 36 Ca -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.80 1rck n SER 36 Cb 0.55 0.04 0.13 0.00 -1.01 0.00 0.00 64.21 63.91 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 -1.61 0.00 -3.57 0.44 5.66 -1.26 -5.02 114.28 108.92 1rck n THR 37 Ca 0.00 -1.04 -0.00 0.00 -3.05 0.00 0.00 64.05 59.95 1rck n THR 37 Cb 0.00 0.99 -0.06 0.00 -1.55 0.00 0.00 70.33 69.71 1rck n THR 37 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1rck s TYR 38 N 0.14 -0.44 -1.41 1.09 -0.85 -1.26 -4.24 117.35 110.37 1rck s TYR 38 Ca 0.10 0.85 -0.08 0.00 -0.52 0.00 0.00 57.07 57.42 1rck s TYR 38 Cb 0.44 0.26 0.06 0.00 0.38 0.00 0.00 41.96 43.10 1rck s TYR 38 CO -0.12 -0.22 2.42 -0.35 -1.52 0.00 0.00 175.55 175.76 1rck n PRO 39 N 3.83 3.94 -2.15 -3.49 -0.04 -1.26 -4.61 135.00 131.24 1rck n PRO 39 Ca -0.16 -3.03 -0.27 0.00 -0.04 0.00 0.00 63.50 60.00 1rck n PRO 39 Cb 0.56 -2.82 0.11 0.00 -0.04 0.00 0.00 33.50 31.31 1rck n PRO 39 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1rck s HIS 40 N 0.59 2.40 0.44 0.54 3.76 -1.26 -4.76 115.29 117.00 1rck s HIS 40 Ca 0.54 0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 55.57 1rck s HIS 40 Cb 0.16 -3.44 -0.08 0.00 1.11 0.00 0.00 32.58 30.34 1rck s HIS 40 CO -0.06 -1.81 1.18 -0.08 -0.85 0.00 0.00 174.74 173.12 1rck s THR 41 N -3.44 3.05 -0.92 1.30 -1.32 -1.26 -2.63 115.64 110.42 1rck s THR 41 Ca 0.65 0.82 -0.03 0.00 -1.21 0.00 0.00 61.69 61.92 1rck s THR 41 Cb -0.08 -3.43 0.23 0.00 -1.51 0.00 0.00 72.50 67.70 1rck s THR 41 CO 0.47 0.02 2.21 0.00 -2.21 0.00 0.00 174.62 175.12 1rck n TYR 42 N -0.32 2.53 -1.00 9.09 9.36 -0.78 -4.79 117.16 131.25 1rck n TYR 42 Ca 0.06 -2.42 -0.15 0.00 3.32 0.00 0.00 57.90 58.71 1rck n TYR 42 Cb 0.47 -1.38 -0.14 0.00 -0.63 0.00 0.00 39.34 37.67 1rck n TYR 42 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1rck n ASN 43 N 0.40 5.51 -2.71 2.98 2.04 -1.26 -3.82 115.26 118.40 1rck n ASN 43 Ca 0.53 -2.45 -0.07 0.00 -0.44 0.00 0.00 54.58 52.14 1rck n ASN 43 Cb 0.31 -1.37 0.11 0.00 -2.53 0.00 0.00 39.78 36.29 1rck n ASN 43 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1rck n ASN 44 N 2.70 -2.02 0.14 0.53 6.94 -1.26 -5.02 115.26 117.27 1rck n ASN 44 Ca 0.46 -2.83 -0.11 0.00 -0.02 0.00 0.00 54.58 52.08 1rck n ASN 44 Cb 0.77 1.32 -0.07 0.00 -2.36 0.00 0.00 39.78 39.44 1rck n ASN 44 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1rck h TYR 45 N 2.30 -0.38 0.00 -2.53 3.20 -2.02 -3.47 116.97 114.08 1rck h TYR 45 Ca -0.23 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1rck h TYR 45 Cb 1.23 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1rck h TYR 45 CO 0.19 -0.03 0.00 -1.91 -1.64 0.00 0.00 178.16 174.76 1rck n GLU 46 N -5.07 0.00 0.00 1.82 2.13 -1.26 -4.45 120.64 113.81 1rck n GLU 46 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1rck n GLU 46 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rck n GLY 47 N 0.00 3.69 7.00 8.31 0.00 -1.26 -5.15 105.19 117.77 1rck n GLY 47 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1rck n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rck n PHE 48 N 0.00 -1.86 -3.41 1.61 7.35 -1.26 -5.01 117.46 114.88 1rck n PHE 48 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1rck n PHE 48 Cb 0.00 0.27 0.00 0.00 0.35 0.00 0.00 39.48 40.10 1rck n PHE 48 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1rck n ASP 49 N -2.72 1.23 -3.26 -2.13 2.03 -1.26 -4.97 116.55 105.47 1rck n ASP 49 Ca 0.00 -0.41 -0.17 0.00 0.52 0.00 0.00 54.79 54.73 1rck n ASP 49 Cb 0.00 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.48 1rck n ASP 49 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1rck n PHE 50 N 0.00 -2.19 -2.53 -0.67 1.16 -1.25 -5.01 117.46 106.98 1rck n PHE 50 Ca 0.00 0.88 -0.42 0.00 -1.87 0.00 0.00 57.45 56.04 1rck n PHE 50 Cb 0.00 -4.81 -0.03 0.00 -1.61 0.00 0.00 39.48 33.04 1rck n PHE 50 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1rck s PRO 51 N -5.51 4.39 0.00 3.97 0.04 -1.26 -4.85 135.00 131.78 1rck s PRO 51 Ca 0.14 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1rck s PRO 51 Cb -0.06 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1rck s PRO 51 CO 0.67 -0.38 0.00 0.28 0.04 0.00 0.00 177.00 177.61 1rck n VAL 52 N 4.50 0.00 -3.67 -0.36 0.31 -1.26 -5.17 118.33 112.68 1rck n VAL 52 Ca 0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.34 1rck n VAL 52 Cb 0.47 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.31 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 -0.58 0.00 4.52 1.01 -1.26 -5.10 116.67 116.26 1rck s ASP 53 Ca 0.00 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1rck s ASP 53 Cb 0.00 1.08 0.00 0.00 1.01 0.00 0.00 42.92 45.01 1rck s ASP 53 CO 0.00 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1rck n GLY 54 N 4.55 -0.80 3.37 0.21 0.00 -1.26 -4.79 105.19 106.47 1rck n GLY 54 Ca -0.19 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.50 -1.89 -1.84 1.61 -0.02 -1.26 -4.68 135.00 126.42 1rck n PRO 55 Ca 0.00 -0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 60.64 1rck n PRO 55 Cb 0.00 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1rck n PRO 55 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1rck s TYR 56 N -2.32 3.46 -0.02 6.00 -0.85 -1.26 -0.58 117.35 121.78 1rck s TYR 56 Ca 0.61 1.35 -0.19 0.00 -0.52 0.00 0.00 57.07 58.32 1rck s TYR 56 Cb -0.18 -2.78 0.04 0.00 0.38 0.00 0.00 41.96 39.42 1rck s TYR 56 CO 0.66 -0.82 0.42 1.14 -1.52 0.00 0.00 175.55 175.43 1rck s GLN 57 N -5.01 0.80 0.36 -3.49 1.03 -0.33 -1.87 119.66 111.15 1rck s GLN 57 Ca 0.56 -0.10 0.07 0.00 0.04 0.00 0.00 55.36 55.93 1rck s GLN 57 Cb -0.12 0.36 -0.01 0.00 0.03 0.00 0.00 33.01 33.27 1rck s GLN 57 CO 0.52 -0.24 0.43 -1.83 -2.54 0.00 0.00 175.29 171.63 1rck s GLU 58 N -1.45 2.90 -0.29 9.60 1.03 -1.08 -1.63 118.70 127.78 1rck s GLU 58 Ca -0.12 -1.18 -0.05 0.00 0.03 0.00 0.00 54.97 53.65 1rck s GLU 58 Cb -0.03 -2.67 0.15 0.00 -0.80 0.00 0.00 34.13 30.78 1rck s GLU 58 CO 0.05 -0.02 0.58 0.12 -1.33 0.00 0.00 175.26 174.66 1rck s PHE 59 N -2.27 -1.36 -0.50 4.83 5.36 -0.49 -4.01 117.98 119.54 1rck s PHE 59 Ca 0.46 1.85 -0.24 0.00 -0.96 0.00 0.00 56.93 58.04 1rck s PHE 59 Cb -0.08 0.58 0.03 0.00 -0.34 0.00 0.00 43.02 43.22 1rck s PHE 59 CO 0.30 -0.75 0.89 -1.25 -1.46 0.00 0.00 175.22 172.95 1rck s PRO 60 N 2.82 3.40 0.85 10.12 0.04 -1.26 -0.56 135.00 150.41 1rck s PRO 60 Ca 0.08 -0.12 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 1rck s PRO 60 Cb -0.14 -3.99 0.13 0.00 0.04 0.00 0.00 34.50 30.55 1rck s PRO 60 CO -0.19 -1.31 1.21 -1.50 0.04 0.00 0.00 177.00 175.25 1rck s ILE 61 N 3.68 2.05 0.14 0.56 2.07 0.01 -4.61 121.20 125.10 1rck s ILE 61 Ca 0.32 -0.07 -0.24 0.00 -1.41 0.00 0.00 60.65 59.24 1rck s ILE 61 Cb -0.12 -2.97 0.07 0.00 0.13 0.00 0.00 42.46 39.57 1rck s ILE 61 CO 0.22 0.00 0.62 -0.54 -1.91 0.00 0.00 174.94 173.32 1rck s LYS 62 N -5.64 1.25 -1.19 3.50 -0.14 -1.26 -4.38 119.74 111.88 1rck s LYS 62 Ca 0.67 -0.42 -0.08 0.00 -1.36 0.00 0.00 55.97 54.78 1rck s LYS 62 Cb -0.08 0.58 -0.09 0.00 -1.68 0.00 0.00 37.83 36.56 1rck s LYS 62 CO 0.50 -0.54 3.02 0.43 -0.76 0.00 0.00 175.35 178.00 1rck n SER 63 N -0.30 7.84 -2.72 2.83 7.64 -1.26 -4.17 113.62 123.49 1rck n SER 63 Ca -0.17 -2.65 -0.07 0.00 1.01 0.00 0.00 58.87 56.98 1rck n SER 63 Cb 0.64 -1.49 0.09 0.00 -1.01 0.00 0.00 64.21 62.44 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 64 N 2.99 -0.08 7.00 0.23 0.00 -1.26 -5.06 105.19 109.00 1rck n GLY 64 Ca 0.68 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 0.72 1.22 2.67 -0.02 0.00 -1.26 -4.01 105.19 104.50 1rck n GLY 65 Ca 0.04 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.86 -0.42 1.61 1.01 -1.26 -4.61 120.40 117.59 1rck s VAL 66 Ca 0.00 -1.78 -0.32 0.00 0.00 0.00 0.00 61.98 59.88 1rck s VAL 66 Cb 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1rck s VAL 66 CO 0.00 -0.80 0.60 0.00 0.00 0.00 0.00 175.10 174.90 1rck n TYR 67 N 4.32 -2.75 0.00 5.22 9.36 -1.26 -4.97 117.16 127.07 1rck n TYR 67 Ca 0.03 1.14 0.00 0.00 3.32 0.00 0.00 57.90 62.40 1rck n TYR 67 Cb 0.39 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1rck n THR 68 N -0.11 0.00 0.01 2.97 -2.24 -1.26 -4.90 114.28 108.76 1rck n THR 68 Ca -0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1rck n THR 68 Cb 0.61 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 1rck n THR 68 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rck h GLY 69 N 0.00 -1.06 0.00 3.38 0.00 -1.93 -3.49 103.07 99.97 1rck h GLY 69 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1rck h GLY 69 CO 0.00 -0.39 0.00 0.61 0.00 0.00 0.00 176.54 176.76 1rck n GLY 70 N -1.04 3.32 3.28 4.60 0.00 -1.26 -5.06 105.19 109.03 1rck n GLY 70 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1rck n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 71 N 0.00 -6.92 -4.76 1.61 7.64 -1.26 -4.98 113.62 104.95 1rck n SER 71 Ca 0.00 -0.34 -0.36 0.00 1.01 0.00 0.00 58.87 59.18 1rck n SER 71 Cb 0.00 -4.23 0.02 0.00 -1.01 0.00 0.00 64.21 58.99 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rck s PRO 72 N -3.60 3.18 -0.19 1.43 0.04 -1.26 -4.99 135.00 129.61 1rck s PRO 72 Ca 0.01 1.76 0.08 0.00 0.04 0.00 0.00 61.00 62.88 1rck s PRO 72 Cb -0.00 -2.00 0.24 0.00 0.04 0.00 0.00 34.50 32.78 1rck s PRO 72 CO 0.79 -1.02 1.30 0.41 0.04 0.00 0.00 177.00 178.52 1rck n GLY 73 N 0.38 1.37 2.04 0.56 0.00 -1.26 -5.02 105.19 103.26 1rck n GLY 73 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.84 0.92 -2.32 4.61 0.00 -1.26 -4.76 120.51 116.86 1rck n ALA 74 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 1rck n ALA 74 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.12 6.77 -0.07 0.00 1.01 -1.26 -2.36 116.67 118.63 1rck s ASP 75 Ca 0.00 1.66 -0.03 0.00 0.71 0.00 0.00 52.55 54.89 1rck s ASP 75 Cb 0.00 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.43 1rck s ASP 75 CO 0.00 -0.92 0.07 -0.13 0.21 0.00 0.00 175.17 174.40 1rck s ARG 76 N 3.88 -0.04 0.27 8.23 0.52 -0.45 -0.81 118.95 130.55 1rck s ARG 76 Ca 0.60 0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 55.89 1rck s ARG 76 Cb -0.23 -0.84 -0.09 0.00 0.52 0.00 0.00 34.95 34.32 1rck s ARG 76 CO 0.20 -0.42 0.75 0.14 0.02 0.00 0.00 175.30 176.00 1rck s VAL 77 N 2.17 4.58 -0.02 3.52 -7.23 0.27 -1.28 120.40 122.40 1rck s VAL 77 Ca 0.04 1.21 0.02 0.00 -1.81 0.00 0.00 61.98 61.45 1rck s VAL 77 Cb -0.13 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.04 1rck s VAL 77 CO -0.05 0.04 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.01 1rck s VAL 78 N -1.72 0.72 0.30 1.32 1.01 -0.41 -1.39 120.40 120.23 1rck s VAL 78 Ca 0.48 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1rck s VAL 78 Cb -0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1rck s VAL 78 CO 0.20 0.23 0.06 -0.38 0.00 0.00 0.00 175.10 175.21 1rck n ILE 79 N 3.31 0.00 -3.89 2.22 5.41 -0.65 -1.23 119.36 124.53 1rck n ILE 79 Ca -0.18 -1.62 -0.22 0.00 1.00 0.00 0.00 62.75 61.73 1rck n ILE 79 Cb 0.54 0.49 -0.02 0.00 -0.71 0.00 0.00 39.64 39.95 1rck n ILE 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1rck s ASN 80 N -2.77 6.32 0.00 4.38 0.01 -0.48 -1.18 114.94 121.21 1rck s ASN 80 Ca 0.09 0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.45 1rck s ASN 80 Cb 0.00 -1.89 0.49 0.00 0.41 0.00 0.00 41.25 40.27 1rck s ASN 80 CO 0.06 -0.09 0.91 1.07 -1.51 0.00 0.00 177.10 177.54 1rck n THR 81 N -1.41 0.00 0.00 1.60 5.66 0.25 -3.51 114.28 116.87 1rck n THR 81 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1rck n THR 81 Cb 0.57 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 -0.87 0.00 0.00 1.09 4.13 -1.26 -4.60 115.26 113.74 1rck n ASN 82 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1rck n ASN 82 Cb 0.03 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 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 0.00 4.29 -0.06 0.00 2.12 -1.26 -4.82 118.70 118.97 1rck s GLU 84 Ca 0.00 1.40 -0.36 0.00 0.36 0.00 0.00 54.97 56.37 1rck s GLU 84 Cb 0.00 -3.63 -0.13 0.00 0.26 0.00 0.00 34.13 30.62 1rck s GLU 84 CO 0.00 -0.58 1.73 0.98 -0.54 0.00 0.00 175.26 176.86 1rck n TYR 85 N 6.08 2.18 -0.10 5.30 4.19 -1.26 -1.38 117.16 132.17 1rck n TYR 85 Ca 0.12 0.23 -0.16 0.00 3.31 0.00 0.00 57.90 61.40 1rck n TYR 85 Cb 0.46 -2.56 -0.06 0.00 0.49 0.00 0.00 39.34 37.67 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 5.27 0.87 -3.00 2.98 0.00 -0.36 -4.88 120.51 121.39 1rck n ALA 86 Ca 0.22 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1rck n ALA 86 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1rck n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 87 N 1.43 1.82 3.63 0.00 0.00 -0.59 -4.85 105.19 106.64 1rck n GLY 87 Ca -0.27 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.82 0.32 4.61 0.00 -1.26 -1.29 121.76 121.32 1rck s ALA 88 Ca 0.00 2.14 0.03 0.00 0.00 0.00 0.00 51.96 54.13 1rck s ALA 88 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1rck s ALA 88 CO 0.00 -0.35 0.14 0.96 0.00 0.00 0.00 175.76 176.51 1rck s ILE 89 N 0.74 0.48 -0.25 0.00 -4.36 -0.41 -2.30 121.20 115.11 1rck s ILE 89 Ca -0.03 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.16 1rck s ILE 89 Cb -0.05 -2.52 0.07 0.00 1.25 0.00 0.00 42.46 41.20 1rck s ILE 89 CO -0.05 0.00 0.65 0.28 0.24 0.00 0.00 174.94 176.05 1rck s THR 90 N -3.52 -0.00 -0.10 8.37 -1.32 0.09 -1.35 115.64 117.82 1rck s THR 90 Ca 0.34 0.01 0.19 0.00 -1.21 0.00 0.00 61.69 61.01 1rck s THR 90 Cb 0.05 -0.91 0.15 0.00 -1.51 0.00 0.00 72.50 70.28 1rck s THR 90 CO 0.17 0.00 1.58 0.45 -2.21 0.00 0.00 174.62 174.61 1rck h HIS 91 N 5.68 0.00 -0.81 9.09 3.86 -1.70 -2.56 115.15 128.71 1rck h HIS 91 Ca -0.29 0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.15 1rck h HIS 91 Cb 1.18 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.62 1rck h HIS 91 CO 0.30 0.36 0.91 0.00 0.86 0.00 0.00 177.93 180.36 1rck h THR 92 N 0.00 0.15 -0.87 2.45 1.03 -1.90 -2.92 112.91 110.85 1rck h THR 92 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 1rck h THR 92 Cb 1.14 0.27 -0.34 0.00 -1.07 0.00 0.00 68.15 68.15 1rck h THR 92 CO 0.05 0.00 -0.99 0.61 -0.01 0.00 0.00 175.52 175.18 1rck n GLY 93 N -1.63 1.68 2.85 2.99 0.00 -1.26 -5.00 105.19 104.82 1rck n GLY 93 Ca 0.17 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.12 0.52 0.16 4.61 0.00 -1.11 -4.80 120.51 119.78 1rck n ALA 94 Ca 0.08 -1.70 -0.14 0.00 0.00 0.00 0.00 53.44 51.68 1rck n ALA 94 Cb 0.80 0.79 -0.07 0.00 0.00 0.00 0.00 19.45 20.98 1rck n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rck h SER 95 N 0.67 -0.47 0.00 0.00 0.87 -1.90 -3.48 113.55 109.24 1rck h SER 95 Ca -0.29 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1rck h SER 95 Cb 0.97 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1rck h SER 95 CO 0.46 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.09 1rck n GLY 96 N -1.31 -2.05 1.67 5.77 0.00 -1.26 -4.95 105.19 103.07 1rck n GLY 96 Ca -0.08 0.64 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 1rck n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rck n ASN 97 N -1.82 4.23 -4.45 1.61 5.15 -1.26 -5.00 115.26 113.72 1rck n ASN 97 Ca 0.00 -3.78 -0.28 0.00 -0.60 0.00 0.00 54.58 49.92 1rck n ASN 97 Cb 0.00 -0.61 -0.09 0.00 -0.53 0.00 0.00 39.78 38.55 1rck n ASN 97 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1rck s ASN 98 N -2.73 3.33 0.21 1.20 0.01 -1.26 -5.18 114.94 110.52 1rck s ASN 98 Ca 0.51 -1.60 0.09 0.00 -0.71 0.00 0.00 52.86 51.15 1rck s ASN 98 Cb 0.43 0.34 -0.05 0.00 0.41 0.00 0.00 41.25 42.38 1rck s ASN 98 CO 0.01 -0.81 -0.16 -0.36 -1.51 0.00 0.00 177.10 174.27 1rck s PHE 99 N -3.05 1.83 0.13 2.20 0.40 -1.26 -4.53 117.98 113.69 1rck s PHE 99 Ca 0.20 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1rck s PHE 99 Cb 0.04 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.68 1rck s PHE 99 CO 0.11 0.42 -0.04 0.14 0.70 0.00 0.00 175.22 176.54 1rck s VAL 100 N -2.75 0.71 0.50 -0.44 -7.23 -0.96 -4.92 120.40 105.29 1rck s VAL 100 Ca 0.23 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1rck s VAL 100 Cb -0.02 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 1rck s VAL 100 CO 0.08 -0.73 0.89 -0.83 -0.31 0.00 0.00 175.10 174.20 1rck s GLY 101 N -3.09 1.84 0.06 2.32 0.00 -1.26 -0.73 107.32 106.46 1rck s GLY 101 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 1rck s GLY 101 CO -0.02 0.11 0.08 0.00 0.00 0.00 0.00 173.10 173.28 1rck s SER 103 N -1.31 7.01 0.00 0.00 1.04 -0.49 -2.72 113.70 117.23 1rck s SER 103 Ca 0.05 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1rck s SER 103 Cb -0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1rck s SER 103 CO 0.03 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1rck n GLY 104 N 3.36 1.11 3.56 7.32 0.00 -1.26 -4.59 105.19 114.69 1rck n GLY 104 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.66 3.87 -2.19 2.61 2.01 -1.10 -5.12 115.64 112.05 1rck s THR 105 Ca 0.00 -0.60 0.30 0.00 0.31 0.00 0.00 61.69 61.71 1rck s THR 105 Cb 0.00 -4.98 0.77 0.00 0.01 0.00 0.00 72.50 68.30 1rck s THR 105 CO 0.00 -1.87 2.04 -3.20 -0.69 0.00 0.00 174.62 170.90