#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg s LYS 2 N 0.00 2.84 -0.11 0.03 2.47 -1.26 -5.03 119.74 118.67 2grg s LYS 2 Ca 0.00 -1.21 -0.29 0.00 -1.56 0.00 0.00 55.97 52.91 2grg s LYS 2 Cb 0.00 -3.88 -0.05 0.00 -1.46 0.00 0.00 37.83 32.44 2grg s LYS 2 CO 0.00 -0.84 1.83 -1.12 0.16 0.00 0.00 175.35 175.39 2grg s SER 3 N 1.92 6.29 -0.16 1.43 0.01 -1.26 -4.98 113.70 116.95 2grg s SER 3 Ca 0.03 2.09 -0.19 0.00 1.31 0.00 0.00 55.95 59.20 2grg s SER 3 Cb -0.21 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2grg s SER 3 CO 0.06 -1.26 0.52 -0.94 0.41 0.00 0.00 173.24 172.03 2grg s SER 4 N 4.83 6.63 -0.01 2.44 1.04 -1.26 -4.97 113.70 122.39 2grg s SER 4 Ca 0.82 0.76 0.02 0.00 0.48 0.00 0.00 55.95 58.03 2grg s SER 4 Cb -0.33 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.49 2grg s SER 4 CO 0.34 -0.12 -0.07 -0.63 0.98 0.00 0.00 173.24 173.74 2grg s ILE 5 N 1.25 0.62 0.77 -1.02 1.01 -1.26 -4.47 121.20 118.10 2grg s ILE 5 Ca 0.26 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 2grg s ILE 5 Cb -0.15 -0.55 0.05 0.00 0.01 0.00 0.00 42.46 41.82 2grg s ILE 5 CO 0.10 0.19 1.08 -2.16 0.00 0.00 0.00 174.94 174.16 2grg s PRO 6 N 0.04 2.32 0.44 2.79 0.04 -1.26 -0.70 135.00 138.67 2grg s PRO 6 Ca -0.00 1.03 0.14 0.00 0.04 0.00 0.00 61.00 62.21 2grg s PRO 6 Cb -0.06 -1.91 0.96 0.00 0.04 0.00 0.00 34.50 33.53 2grg s PRO 6 CO -0.00 -1.56 1.97 0.97 0.04 0.00 0.00 177.00 178.43 2grg h ILE 7 N -1.06 1.15 -0.15 0.56 6.09 -1.94 -1.79 117.51 120.37 2grg h ILE 7 Ca -0.44 -0.69 0.04 0.00 -1.37 0.00 0.00 64.86 62.40 2grg h ILE 7 Cb 1.23 1.36 -0.01 0.00 0.47 0.00 0.00 36.82 39.87 2grg h ILE 7 CO 0.54 0.20 0.16 0.00 -3.07 0.00 0.00 178.15 175.98 2grg h THR 8 N 0.02 0.52 0.01 2.19 1.03 -1.92 0.18 112.91 114.93 2grg h THR 8 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 66.41 65.99 2grg h THR 8 Cb 0.35 0.87 -0.07 0.00 -1.07 0.00 0.00 68.15 68.24 2grg h THR 8 CO 0.03 0.00 -2.44 -0.62 -0.01 0.00 0.00 175.52 172.47 2grg n GLU 9 N -3.87 0.64 -0.11 0.00 -0.58 -0.76 -4.54 120.64 111.41 2grg n GLU 9 Ca 0.01 0.20 -0.04 0.00 -0.42 0.00 0.00 57.16 56.91 2grg n GLU 9 Cb 0.28 -1.53 0.17 0.00 -0.57 0.00 0.00 31.44 29.78 2grg n GLU 9 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2grg h VAL 10 N -0.30 1.24 0.26 2.62 2.07 -0.91 -2.49 116.25 118.73 2grg h VAL 10 Ca -0.60 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2grg h VAL 10 Cb 1.81 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2grg h VAL 10 CO -0.18 0.34 -0.40 0.25 0.02 0.00 0.00 177.57 177.61 2grg h LEU 11 N 0.76 -1.14 -1.53 2.57 5.85 -0.89 0.16 115.31 121.10 2grg h LEU 11 Ca 0.15 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2grg h LEU 11 Cb 0.41 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2grg h LEU 11 CO 0.01 -0.47 -0.18 1.55 -0.34 0.00 0.00 178.44 179.01 2grg h PRO 12 N -0.69 0.00 -0.15 5.25 0.13 -1.80 -2.68 132.00 132.07 2grg h PRO 12 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2grg h PRO 12 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2grg h PRO 12 CO -0.12 0.18 0.00 0.54 -0.23 0.00 0.00 178.00 178.37 2grg n ARG 13 N -3.54 1.61 -3.42 0.86 1.74 -0.94 -4.87 116.66 108.11 2grg n ARG 13 Ca -0.01 -0.92 -0.33 0.00 -0.77 0.00 0.00 57.85 55.82 2grg n ARG 13 Cb 0.33 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 2grg n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2grg s ALA 14 N -1.80 3.58 -0.89 7.54 0.00 0.00 -4.49 121.76 125.70 2grg s ALA 14 Ca 0.30 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.08 2grg s ALA 14 Cb 0.16 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.90 2grg s ALA 14 CO 0.24 0.50 0.72 1.33 0.00 0.00 0.00 175.76 178.56 2grg n VAL 15 N 0.13 0.00 -3.56 0.00 0.24 0.12 -4.96 118.33 110.29 2grg n VAL 15 Ca -0.01 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.65 2grg n VAL 15 Cb 0.52 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.98 2grg n VAL 15 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2grg s GLY 16 N -0.61 -0.42 -0.06 7.63 0.00 -0.96 -0.65 107.32 112.25 2grg s GLY 16 Ca 0.08 1.78 -0.03 0.00 0.00 0.00 0.00 44.72 46.56 2grg s GLY 16 CO 0.09 1.14 0.14 -0.56 0.00 0.00 0.00 173.10 173.91 2grg s SER 17 N -0.89 -0.05 -0.27 1.64 0.01 0.82 0.92 113.70 115.88 2grg s SER 17 Ca -0.05 0.29 -0.06 0.00 1.31 0.00 0.00 55.95 57.43 2grg s SER 17 Cb -0.01 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 2grg s SER 17 CO 0.05 -0.15 0.05 -0.76 0.41 0.00 0.00 173.24 172.83 2grg s LEU 18 N 1.24 3.57 -0.31 2.44 1.43 0.43 -1.02 118.68 126.46 2grg s LEU 18 Ca -0.08 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 2grg s LEU 18 Cb -0.12 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2grg s LEU 18 CO -0.06 -0.12 0.44 -0.89 0.23 0.00 0.00 176.35 175.95 2grg s THR 19 N 1.52 5.10 0.19 5.49 2.01 0.73 -0.44 115.64 130.23 2grg s THR 19 Ca 0.04 0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.55 2grg s THR 19 Cb -0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2grg s THR 19 CO 0.01 -0.03 0.01 -0.36 -0.69 0.00 0.00 174.62 173.56 2grg s PHE 20 N 2.21 2.83 0.68 4.92 0.40 0.17 0.32 117.98 129.51 2grg s PHE 20 Ca 0.17 -0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.30 2grg s PHE 20 Cb -0.16 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.08 2grg s PHE 20 CO 0.11 0.53 0.97 0.34 0.70 0.00 0.00 175.22 177.87 2grg s ASP 21 N -3.08 4.86 0.56 1.36 2.15 0.14 -2.21 116.67 120.45 2grg s ASP 21 Ca 0.28 0.32 0.28 0.00 0.43 0.00 0.00 52.55 53.86 2grg s ASP 21 Cb -0.09 -0.99 1.66 0.00 -0.30 0.00 0.00 42.92 43.19 2grg s ASP 21 CO 0.19 -1.53 2.18 1.05 -0.17 0.00 0.00 175.17 176.88 2grg h GLU 22 N -0.47 0.00 -0.27 4.34 4.11 -1.89 0.21 114.58 120.61 2grg h GLU 22 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2grg h GLU 22 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2grg h GLU 22 CO 0.57 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.80 2grg n ASN 23 N -3.77 1.58 -1.74 3.06 3.02 -1.26 -4.90 115.26 111.25 2grg n ASN 23 Ca -0.02 -1.94 -0.14 0.00 -0.03 0.00 0.00 54.58 52.45 2grg n ASN 23 Cb 0.15 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2grg n ASN 23 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2grg n TYR 24 N 0.34 -0.87 -4.07 3.10 4.01 0.75 -5.02 117.16 115.41 2grg n TYR 24 Ca 0.11 0.12 -0.33 0.00 -0.16 0.00 0.00 57.90 57.64 2grg n TYR 24 Cb 0.26 -3.08 -0.07 0.00 -0.31 0.00 0.00 39.34 36.14 2grg n TYR 24 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2grg s ASN 25 N -2.53 5.80 0.10 7.72 0.01 -1.25 -4.78 114.94 120.01 2grg s ASN 25 Ca 0.07 0.18 -0.31 0.00 -0.71 0.00 0.00 52.86 52.09 2grg s ASN 25 Cb -0.03 -1.70 -0.09 0.00 0.41 0.00 0.00 41.25 39.85 2grg s ASN 25 CO 0.08 0.27 1.60 -0.22 -1.51 0.00 0.00 177.10 177.33 2grg s LEU 26 N -1.75 4.36 -0.13 0.60 2.96 -1.26 0.23 118.68 123.69 2grg s LEU 26 Ca 0.23 2.50 -0.10 0.00 -0.22 0.00 0.00 54.13 56.55 2grg s LEU 26 Cb -0.12 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 2grg s LEU 26 CO 0.14 -0.85 -0.22 0.18 -1.32 0.00 0.00 176.35 174.28 2grg n LEU 27 N 4.99 1.43 -4.07 -0.68 4.77 0.15 -4.88 117.00 118.71 2grg n LEU 27 Ca 0.15 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 2grg n LEU 27 Cb 0.40 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 2grg n LEU 27 CO 0.62 -0.01 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.60 2grg s ASP 28 N -6.29 1.31 -0.14 -1.43 -1.08 -0.73 -4.98 116.67 103.32 2grg s ASP 28 Ca -0.22 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 2grg s ASP 28 Cb 0.06 -0.12 0.03 0.00 -1.46 0.00 0.00 42.92 41.43 2grg s ASP 28 CO 0.29 0.09 -0.11 -0.89 0.52 0.00 0.00 175.17 175.07 2grg s THR 29 N -0.46 1.35 0.04 1.71 2.01 -1.26 -0.19 115.64 118.83 2grg s THR 29 Ca 0.03 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2grg s THR 29 Cb -0.05 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 2grg s THR 29 CO 0.00 0.37 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.75 2grg s SER 30 N 1.57 1.31 0.34 3.53 0.01 -0.18 -4.85 113.70 115.42 2grg s SER 30 Ca 0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2grg s SER 30 Cb -0.13 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2grg s SER 30 CO -0.09 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2grg n GLY 31 N 1.86 0.03 0.29 3.44 0.00 -1.26 -0.13 105.19 109.42 2grg n GLY 31 Ca -0.19 -0.96 0.19 0.00 0.00 0.00 0.00 46.02 45.07 2grg n GLY 31 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2grg h VAL 32 N 0.00 0.00 0.00 1.61 2.07 -1.22 -1.64 116.25 117.07 2grg h VAL 32 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2grg h VAL 32 Cb 0.00 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2grg h VAL 32 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 2grg h ALA 33 N 2.00 1.01 0.01 1.67 0.00 -1.79 -0.84 119.26 121.32 2grg h ALA 33 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2grg h ALA 33 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2grg h ALA 33 CO 0.00 -0.01 -1.06 0.87 0.00 0.00 0.00 179.25 179.05 2grg h LYS 34 N 0.00 0.66 -0.00 0.00 1.57 -1.50 -3.24 116.57 114.05 2grg h LYS 34 Ca 0.00 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2grg h LYS 34 Cb 0.03 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2grg h LYS 34 CO 0.00 1.31 -0.42 1.33 -0.57 0.00 0.00 179.45 181.10 2grg n VAL 35 N -3.83 0.00 -2.96 0.50 0.24 -0.43 -4.78 118.33 107.07 2grg n VAL 35 Ca -0.11 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 61.78 2grg n VAL 35 Cb 0.89 0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 33.40 2grg n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2grg s ILE 36 N -2.94 4.80 0.58 1.34 1.01 -0.56 -5.05 121.20 120.38 2grg s ILE 36 Ca 0.13 1.66 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 2grg s ILE 36 Cb 0.18 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2grg s ILE 36 CO 0.66 0.32 1.23 -1.83 0.00 0.00 0.00 174.94 175.32 2grg s GLU 37 N 0.22 3.05 -1.09 2.79 -1.05 -1.26 -4.89 118.70 116.47 2grg s GLU 37 Ca 0.40 1.89 -0.13 0.00 -0.15 0.00 0.00 54.97 56.98 2grg s GLU 37 Cb -0.20 -2.01 0.21 0.00 -0.44 0.00 0.00 34.13 31.69 2grg s GLU 37 CO 0.23 -1.16 1.18 0.15 0.95 0.00 0.00 175.26 176.61 2grg s LYS 38 N -3.22 4.01 1.09 -4.83 3.01 -1.26 -5.02 119.74 113.52 2grg s LYS 38 Ca 0.76 -2.72 -0.18 0.00 -1.01 0.00 0.00 55.97 52.82 2grg s LYS 38 Cb -0.32 -4.76 0.26 0.00 -1.01 0.00 0.00 37.83 32.00 2grg s LYS 38 CO 0.35 -1.50 1.27 -1.54 0.51 0.00 0.00 175.35 174.44 2grg s SER 39 N 2.25 1.94 -0.40 2.83 1.04 -1.26 -4.86 113.70 115.24 2grg s SER 39 Ca 0.33 0.27 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 2grg s SER 39 Cb -0.07 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 2grg s SER 39 CO -0.05 -3.46 1.54 -2.65 0.98 0.00 0.00 173.24 169.59 2grg n PRO 40 N -4.26 0.99 0.09 4.02 -0.02 -1.26 -4.45 135.00 130.12 2grg n PRO 40 Ca 0.16 -0.89 -0.03 0.00 -2.02 0.00 0.00 63.50 60.73 2grg n PRO 40 Cb 0.59 -2.15 0.20 0.00 -0.02 0.00 0.00 33.50 32.12 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2grg h ILE 41 N 3.58 1.33 -0.91 4.25 2.04 -1.95 -3.03 117.51 122.82 2grg h ILE 41 Ca 0.22 -1.63 0.06 0.00 1.00 0.00 0.00 64.86 64.51 2grg h ILE 41 Cb 0.13 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 2grg h ILE 41 CO 1.12 0.49 0.60 0.00 0.00 0.00 0.00 178.15 180.35 2grg h ALA 42 N 1.33 1.48 -0.87 1.87 0.00 -1.88 0.31 119.26 121.50 2grg h ALA 42 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2grg h ALA 42 Cb 0.89 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2grg h ALA 42 CO 0.07 0.39 0.58 1.49 0.00 0.00 0.00 179.25 181.78 2grg h GLU 43 N 1.07 1.15 0.00 0.00 4.81 -1.90 -2.19 114.58 117.52 2grg h GLU 43 Ca 0.39 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 2grg h GLU 43 Cb 0.15 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2grg h GLU 43 CO -0.14 0.76 -0.71 0.82 -0.73 0.00 0.00 179.01 179.01 2grg h ILE 44 N 1.18 1.28 -0.19 2.32 1.08 -0.87 -2.79 117.51 119.52 2grg h ILE 44 Ca 0.32 -2.67 -0.00 0.00 -0.39 0.00 0.00 64.86 62.12 2grg h ILE 44 Cb -0.13 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 2grg h ILE 44 CO -0.07 0.70 0.11 0.40 -0.69 0.00 0.00 178.15 178.60 2grg h ILE 45 N 0.00 1.10 -0.57 -0.67 2.04 0.08 0.25 117.51 119.75 2grg h ILE 45 Ca -0.01 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 2grg h ILE 45 Cb 1.49 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2grg h ILE 45 CO 0.09 0.10 -0.07 0.08 0.00 0.00 0.00 178.15 178.35 2grg h ARG 46 N 0.21 1.04 -0.26 2.37 0.11 -1.49 0.26 114.38 116.63 2grg h ARG 46 Ca 0.07 -0.36 0.01 0.00 0.10 0.00 0.00 59.98 59.80 2grg h ARG 46 Cb 0.06 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 2grg h ARG 46 CO -0.01 1.06 0.14 0.87 0.10 0.00 0.00 179.97 182.13 2grg h LYS 47 N 0.94 0.29 0.00 0.08 1.57 -1.25 -1.51 116.57 116.69 2grg h LYS 47 Ca 0.15 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2grg h LYS 47 Cb 0.63 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2grg h LYS 47 CO 0.04 0.19 -0.14 0.77 -0.57 0.00 0.00 179.45 179.74 2grg h SER 48 N 0.29 0.00 -0.32 0.86 0.02 -0.30 -2.15 113.55 111.96 2grg h SER 48 Ca 0.10 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2grg h SER 48 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2grg h SER 48 CO -0.06 0.14 0.00 -1.13 -1.14 0.00 0.00 176.83 174.64 2grg h ASN 49 N 0.00 0.63 1.43 3.07 -1.24 0.56 0.25 115.58 120.28 2grg h ASN 49 Ca -0.00 -0.14 -0.10 0.00 0.71 0.00 0.00 56.30 56.77 2grg h ASN 49 Cb 0.55 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 2grg h ASN 49 CO 0.02 0.70 -0.59 0.00 -1.29 0.00 0.00 177.43 176.27 2grg h ALA 50 N 1.37 0.69 0.00 1.57 0.00 -1.00 -3.37 119.26 118.53 2grg h ALA 50 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2grg h ALA 50 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2grg h ALA 50 CO 0.01 0.59 -0.07 0.93 0.00 0.00 0.00 179.25 180.72 2grg h GLU 51 N 0.00 0.00 0.00 0.00 4.39 -0.78 -3.49 114.58 114.70 2grg h GLU 51 Ca -0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 2grg h GLU 51 Cb 1.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 2grg h GLU 51 CO 0.06 0.43 -0.05 1.47 -1.16 0.00 0.00 179.01 179.75 2grg n LEU 52 N -4.69 0.00 0.00 1.33 -0.00 0.84 -4.96 117.00 109.52 2grg n LEU 52 Ca -0.05 -0.66 0.00 0.00 -0.00 0.00 0.00 56.01 55.29 2grg n LEU 52 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2grg n LEU 52 CO 0.15 -0.39 0.00 0.61 -0.00 0.00 0.00 177.39 177.76 2grg n GLY 53 N 3.39 -0.61 0.00 1.47 0.00 -1.26 -4.76 105.19 103.42 2grg n GLY 53 Ca 0.01 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2grg n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2grg n ARG 54 N -2.42 2.38 -3.61 1.61 0.00 -1.26 -4.01 116.66 109.35 2grg n ARG 54 Ca 0.00 -0.04 -0.32 0.00 -0.00 0.00 0.00 57.85 57.49 2grg n ARG 54 Cb 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 32.46 31.32 2grg n ARG 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2grg s LEU 55 N -2.95 4.26 -0.20 6.15 2.01 -1.26 -3.46 118.68 123.22 2grg s LEU 55 Ca 0.01 0.68 -0.18 0.00 0.01 0.00 0.00 54.13 54.65 2grg s LEU 55 Cb 0.08 -3.35 -0.03 0.00 0.01 0.00 0.00 46.19 42.89 2grg s LEU 55 CO 0.44 0.04 0.51 -0.83 1.01 0.00 0.00 176.35 177.52 2grg s GLY 56 N -2.33 2.07 -0.12 -3.19 0.00 0.12 -4.86 107.32 99.01 2grg s GLY 56 Ca 0.41 -0.41 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 2grg s GLY 56 CO 0.23 1.06 0.14 -0.47 0.00 0.00 0.00 173.10 174.06 2grg s TYR 57 N 1.62 3.59 -0.42 1.90 5.04 -1.26 -4.09 117.35 123.73 2grg s TYR 57 Ca 0.24 0.52 -0.28 0.00 -2.44 0.00 0.00 57.07 55.10 2grg s TYR 57 Cb -0.15 -1.94 -0.00 0.00 0.35 0.00 0.00 41.96 40.22 2grg s TYR 57 CO 0.09 0.73 1.56 -1.12 -1.34 0.00 0.00 175.55 175.48 2grg s SER 58 N -1.02 6.11 -0.13 4.32 0.01 -1.26 -1.83 113.70 119.90 2grg s SER 58 Ca 0.15 0.87 0.17 0.00 1.31 0.00 0.00 55.95 58.45 2grg s SER 58 Cb -0.12 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.33 2grg s SER 58 CO 0.04 -1.61 0.29 1.33 0.41 0.00 0.00 173.24 173.70 2grg n VAL 59 N 7.17 1.26 -3.85 3.43 0.24 0.10 -4.78 118.33 121.90 2grg n VAL 59 Ca 0.18 -0.79 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 2grg n VAL 59 Cb 0.48 -0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 32.16 2grg n VAL 59 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2grg s TYR 60 N -2.67 2.42 -0.35 6.34 6.14 -1.03 -4.97 117.35 123.23 2grg s TYR 60 Ca -0.08 -2.11 -0.05 0.00 0.64 0.00 0.00 57.07 55.46 2grg s TYR 60 Cb 0.07 -2.06 0.06 0.00 0.42 0.00 0.00 41.96 40.45 2grg s TYR 60 CO 0.84 -0.88 0.11 -2.00 0.64 0.00 0.00 175.55 174.26 2grg s GLU 61 N 1.37 2.47 0.33 4.97 2.12 -1.26 0.74 118.70 129.44 2grg s GLU 61 Ca 0.08 -1.34 0.10 0.00 0.36 0.00 0.00 54.97 54.17 2grg s GLU 61 Cb -0.18 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 2grg s GLU 61 CO -0.17 -0.75 -0.08 0.34 -0.54 0.00 0.00 175.26 174.05 2grg s ASP 62 N 1.52 3.87 0.57 -1.70 2.15 -0.09 -5.02 116.67 117.97 2grg s ASP 62 Ca -0.01 -1.08 0.37 0.00 0.43 0.00 0.00 52.55 52.26 2grg s ASP 62 Cb -0.21 -0.41 1.79 0.00 -0.30 0.00 0.00 42.92 43.80 2grg s ASP 62 CO 0.01 -0.16 2.12 0.00 -0.17 0.00 0.00 175.17 176.97 2grg h ALA 63 N 2.00 1.00 0.00 3.66 0.00 -2.03 -3.22 119.26 120.67 2grg h ALA 63 Ca -0.42 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2grg h ALA 63 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2grg h ALA 63 CO 0.67 0.00 -1.12 1.04 0.00 0.00 0.00 179.25 179.83 2grg n GLN 64 N -2.98 0.52 -4.32 0.00 6.02 -1.26 -4.85 117.38 110.50 2grg n GLN 64 Ca -0.01 0.34 -0.17 0.00 -0.01 0.00 0.00 57.00 57.15 2grg n GLN 64 Cb 0.18 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 2grg n GLN 64 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2grg s TYR 65 N -2.61 1.54 -0.07 1.08 2.02 -1.22 -1.54 117.35 116.55 2grg s TYR 65 Ca -0.26 -0.92 -0.00 0.00 -0.37 0.00 0.00 57.07 55.51 2grg s TYR 65 Cb 0.05 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 2grg s TYR 65 CO 0.39 -0.05 -0.03 0.42 -1.57 0.00 0.00 175.55 174.71 2grg s ILE 66 N -3.43 0.58 0.01 2.71 1.01 0.15 -0.92 121.20 121.32 2grg s ILE 66 Ca 0.28 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 2grg s ILE 66 Cb 0.06 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 2grg s ILE 66 CO 0.08 0.28 0.36 -0.83 0.00 0.00 0.00 174.94 174.83 2grg s GLY 67 N 1.56 2.38 -0.07 6.18 0.00 0.23 -0.33 107.32 117.26 2grg s GLY 67 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.40 2grg s GLY 67 CO -0.04 -0.06 -0.18 0.30 0.00 0.00 0.00 173.10 173.12 2grg s HIS 68 N -1.18 1.90 -0.16 1.90 0.09 0.67 0.03 115.29 118.55 2grg s HIS 68 Ca 0.25 -0.67 -0.22 0.00 -0.00 0.00 0.00 55.06 54.43 2grg s HIS 68 Cb -0.15 -1.30 -0.03 0.00 -0.00 0.00 0.00 32.58 31.10 2grg s HIS 68 CO 0.14 -0.27 0.66 0.00 -0.00 0.00 0.00 174.74 175.26 2grg s ALA 69 N 0.31 3.49 0.02 -1.40 0.00 -0.76 -0.63 121.76 122.78 2grg s ALA 69 Ca -0.11 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.80 2grg s ALA 69 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2grg s ALA 69 CO 0.05 -0.41 -0.25 -0.06 0.00 0.00 0.00 175.76 175.09 2grg s PHE 70 N 1.57 2.38 -0.23 0.00 0.40 0.53 -4.00 117.98 118.63 2grg s PHE 70 Ca 0.32 -0.39 -0.25 0.00 -0.60 0.00 0.00 56.93 56.01 2grg s PHE 70 Cb -0.16 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 41.92 2grg s PHE 70 CO 0.12 0.10 0.86 0.15 0.70 0.00 0.00 175.22 177.16 2grg s LYS 71 N -1.08 4.22 0.55 0.44 3.01 -1.26 -1.97 119.74 123.65 2grg s LYS 71 Ca 0.12 1.02 0.05 0.00 -1.01 0.00 0.00 55.97 56.15 2grg s LYS 71 Cb -0.10 -3.63 0.04 0.00 -1.01 0.00 0.00 37.83 33.13 2grg s LYS 71 CO 0.02 -0.50 0.42 0.15 0.51 0.00 0.00 175.35 175.94 2grg s LYS 72 N 2.77 2.25 -0.61 1.68 -0.14 0.49 -4.97 119.74 121.21 2grg s LYS 72 Ca 0.37 -2.02 -0.26 0.00 -1.36 0.00 0.00 55.97 52.69 2grg s LYS 72 Cb -0.15 -2.11 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2grg s LYS 72 CO 0.08 -0.64 2.04 0.00 -0.76 0.00 0.00 175.35 176.07 2grg s ALA 73 N -2.78 1.91 -0.18 5.17 0.00 -1.26 -2.59 121.76 122.04 2grg s ALA 73 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2grg s ALA 73 Cb -0.02 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2grg s ALA 73 CO 0.21 -4.22 0.00 0.41 0.00 0.00 0.00 175.76 172.16 2grg n GLY 74 N 5.92 0.36 3.33 0.00 0.00 -1.26 -4.94 105.19 108.61 2grg n GLY 74 Ca 0.28 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 2grg n GLY 74 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2grg s HIS 75 N -1.56 1.07 -0.06 1.61 4.02 -1.07 -4.05 115.29 115.26 2grg s HIS 75 Ca 0.00 -1.27 0.01 0.00 1.02 0.00 0.00 55.06 54.82 2grg s HIS 75 Cb 0.00 -0.37 0.02 0.00 -1.02 0.00 0.00 32.58 31.21 2grg s HIS 75 CO 0.00 -0.81 -0.07 -0.06 1.02 0.00 0.00 174.74 174.82 2grg s PHE 76 N -3.89 1.06 -0.02 1.40 0.08 -0.94 -0.38 117.98 115.30 2grg s PHE 76 Ca 0.35 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.06 2grg s PHE 76 Cb 0.04 -0.86 -0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2grg s PHE 76 CO 0.15 -0.25 -0.11 0.42 -0.10 0.00 0.00 175.22 175.33 2grg s ILE 77 N 0.93 0.89 -0.34 0.64 1.01 -0.83 0.43 121.20 123.93 2grg s ILE 77 Ca -0.10 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 2grg s ILE 77 Cb -0.15 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.59 2grg s ILE 77 CO 0.01 0.26 0.12 -0.69 0.00 0.00 0.00 174.94 174.64 2grg s VAL 78 N 0.02 3.97 -0.25 2.92 1.01 0.41 -0.35 120.40 128.14 2grg s VAL 78 Ca -0.01 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 2grg s VAL 78 Cb -0.07 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2grg s VAL 78 CO 0.00 -0.15 0.48 -0.31 0.00 0.00 0.00 175.10 175.12 2grg s TYR 79 N 1.45 3.29 -0.33 5.22 1.51 0.20 -0.43 117.35 128.26 2grg s TYR 79 Ca -0.00 0.62 -0.18 0.00 -1.01 0.00 0.00 57.07 56.50 2grg s TYR 79 Cb -0.19 -2.67 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 2grg s TYR 79 CO 0.04 -0.21 0.49 -0.06 -1.11 0.00 0.00 175.55 174.70 2grg s PHE 80 N 2.04 3.20 -0.01 2.71 0.40 0.26 -0.24 117.98 126.34 2grg s PHE 80 Ca 0.20 0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.82 2grg s PHE 80 Cb -0.15 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 2grg s PHE 80 CO 0.09 -0.47 -0.10 0.95 0.70 0.00 0.00 175.22 176.39 2grg s THR 81 N 2.34 3.42 0.44 0.64 -4.23 0.55 0.11 115.64 118.90 2grg s THR 81 Ca 0.18 -0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 59.65 2grg s THR 81 Cb -0.16 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 2grg s THR 81 CO 0.12 0.45 1.40 -0.81 -0.54 0.00 0.00 174.62 175.24 2grg n PRO 82 N 1.77 2.20 -1.42 3.99 -0.04 -1.26 0.33 135.00 140.57 2grg n PRO 82 Ca -0.16 0.78 -0.48 0.00 -0.04 0.00 0.00 63.50 63.60 2grg n PRO 82 Cb 0.52 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.31 2grg n PRO 82 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2grg n LYS 83 N -0.09 0.41 -3.81 0.54 5.02 -0.59 -4.68 118.16 114.97 2grg n LYS 83 Ca 0.05 0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 2grg n LYS 83 Cb 0.41 -2.00 -0.15 0.00 -0.02 0.00 0.00 35.03 33.27 2grg n LYS 83 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2grg s ASN 84 N 8.16 0.04 -0.06 4.39 2.20 -1.26 -5.04 114.94 123.37 2grg s ASN 84 Ca 1.20 0.03 -0.03 0.00 -0.94 0.00 0.00 52.86 53.13 2grg s ASN 84 Cb -1.08 -0.03 0.04 0.00 -2.00 0.00 0.00 41.25 38.17 2grg s ASN 84 CO 0.51 -0.08 0.12 -0.75 -2.94 0.00 0.00 177.10 173.95 2grg s LYS 85 N 0.67 -0.01 0.06 3.55 2.36 -1.26 -4.97 119.74 120.14 2grg s LYS 85 Ca -0.06 0.47 0.01 0.00 -2.55 0.00 0.00 55.97 53.84 2grg s LYS 85 Cb -0.08 -0.36 0.01 0.00 -1.05 0.00 0.00 37.83 36.35 2grg s LYS 85 CO -0.02 -0.30 0.06 -1.71 1.55 0.00 0.00 175.35 174.93 2grg n ASN 86 N 5.22 0.91 -1.56 1.43 2.85 -1.26 -4.99 115.26 117.86 2grg n ASN 86 Ca -0.06 -1.20 -0.10 0.00 -0.11 0.00 0.00 54.58 53.11 2grg n ASN 86 Cb 0.50 -0.02 0.06 0.00 1.24 0.00 0.00 39.78 41.56 2grg n ASN 86 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2grg n ARG 87 N -0.80 1.53 0.00 1.20 1.74 -1.26 -4.93 116.66 114.14 2grg n ARG 87 Ca 0.00 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 2grg n ARG 87 Cb 0.07 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2grg n ARG 87 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2grg n GLU 88 N 0.01 0.00 0.00 5.56 -0.58 -1.26 -4.90 120.64 119.48 2grg n GLU 88 Ca 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2grg n GLU 88 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.74 2grg n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2grg n GLY 89 N 0.00 1.05 2.40 0.62 0.00 -1.26 -4.04 105.19 103.96 2grg n GLY 89 Ca 0.00 0.35 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 2grg n GLY 89 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2grg n VAL 90 N 0.00 4.47 -2.21 1.61 0.24 -1.26 -4.96 118.33 116.22 2grg n VAL 90 Ca 0.00 -3.45 -0.39 0.00 -2.04 0.00 0.00 64.34 58.46 2grg n VAL 90 Cb 0.00 -2.08 -0.02 0.00 -1.47 0.00 0.00 33.84 30.27 2grg n VAL 90 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2grg s VAL 91 N -0.49 2.95 0.69 3.34 -7.23 -1.26 -5.03 120.40 113.37 2grg s VAL 91 Ca 0.60 0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 61.52 2grg s VAL 91 Cb 0.24 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.67 2grg s VAL 91 CO -0.11 0.13 1.06 -2.16 -0.31 0.00 0.00 175.10 173.72 2grg s PRO 92 N -2.09 3.00 -0.05 4.82 0.04 -1.26 -4.98 135.00 134.48 2grg s PRO 92 Ca 0.54 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 2grg s PRO 92 Cb -0.35 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 2grg s PRO 92 CO 0.45 -1.05 2.04 -2.30 0.04 0.00 0.00 177.00 176.17 2grg n PRO 93 N -3.06 2.51 -2.55 0.56 -0.02 -1.26 -4.94 135.00 126.24 2grg n PRO 93 Ca 0.07 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 62.01 2grg n PRO 93 Cb 0.54 -3.02 -0.04 0.00 -0.02 0.00 0.00 33.50 30.96 2grg n PRO 93 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2grg s VAL 94 N 5.54 4.18 -5.00 -1.45 -7.23 -1.26 -4.90 120.40 110.27 2grg s VAL 94 Ca 0.93 1.71 0.00 0.00 -1.81 0.00 0.00 61.98 62.81 2grg s VAL 94 Cb -0.45 -4.09 0.00 0.00 0.56 0.00 0.00 36.38 32.40 2grg s VAL 94 CO 0.42 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 2grg n GLY 95 N 2.56 0.68 3.69 2.32 0.00 -1.26 -5.07 105.19 108.11 2grg n GLY 95 Ca 0.05 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 2grg n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grg s ILE 96 N -2.31 5.30 -1.46 -0.61 -1.09 -1.26 -4.68 121.20 115.09 2grg s ILE 96 Ca 0.00 0.45 -0.13 0.00 -2.23 0.00 0.00 60.65 58.74 2grg s ILE 96 Cb 0.00 -3.60 0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2grg s ILE 96 CO 0.00 0.34 2.29 0.35 -1.23 0.00 0.00 174.94 176.69 2grg n THR 97 N 4.02 3.72 0.90 2.92 -2.24 -1.26 -5.06 114.28 117.28 2grg n THR 97 Ca -0.12 -3.15 0.11 0.00 -2.27 0.00 0.00 64.05 58.61 2grg n THR 97 Cb 0.52 -2.57 0.09 0.00 -2.10 0.00 0.00 70.33 66.27 2grg n THR 97 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09