#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 0.50 -1.19 0.03 2.47 -1.26 -5.06 119.74 115.22 2grg s LYS 2 Ca 0.00 -1.12 -0.18 0.00 -1.56 0.00 0.00 55.97 53.11 2grg s LYS 2 Cb 0.00 -1.37 0.09 0.00 -1.46 0.00 0.00 37.83 35.09 2grg s LYS 2 CO 0.00 -1.14 1.57 -1.12 0.16 0.00 0.00 175.35 174.83 2grg s SER 3 N 1.37 6.80 0.16 1.43 0.01 -1.26 -4.92 113.70 117.28 2grg s SER 3 Ca 0.15 -2.31 0.08 0.00 1.31 0.00 0.00 55.95 55.18 2grg s SER 3 Cb -0.21 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2grg s SER 3 CO -0.12 -1.15 -0.17 -0.94 0.41 0.00 0.00 173.24 171.27 2grg s SER 4 N 4.08 2.51 -0.02 2.44 1.04 -1.26 -4.72 113.70 117.76 2grg s SER 4 Ca 0.48 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 56.08 2grg s SER 4 Cb 0.01 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 2grg s SER 4 CO 0.01 -0.08 -0.11 -0.63 0.98 0.00 0.00 173.24 173.42 2grg s ILE 5 N -2.19 0.89 0.66 -1.02 1.01 -1.14 -4.35 121.20 115.07 2grg s ILE 5 Ca 0.15 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 2grg s ILE 5 Cb -0.05 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2grg s ILE 5 CO 0.06 0.26 1.11 -2.16 0.00 0.00 0.00 174.94 174.22 2grg s PRO 6 N -0.04 2.76 0.41 2.79 0.04 -1.26 -0.61 135.00 139.09 2grg s PRO 6 Ca 0.00 1.40 0.20 0.00 0.04 0.00 0.00 61.00 62.65 2grg s PRO 6 Cb -0.07 -1.94 0.84 0.00 0.04 0.00 0.00 34.50 33.37 2grg s PRO 6 CO 0.00 -1.28 1.81 0.97 0.04 0.00 0.00 177.00 178.54 2grg h ILE 7 N 0.00 0.84 -0.08 0.56 6.09 -1.93 -1.95 117.51 121.05 2grg h ILE 7 Ca -0.47 -1.27 0.02 0.00 -1.37 0.00 0.00 64.86 61.77 2grg h ILE 7 Cb 1.25 1.78 -0.00 0.00 0.47 0.00 0.00 36.82 40.31 2grg h ILE 7 CO 0.54 0.31 0.08 0.00 -3.07 0.00 0.00 178.15 176.01 2grg h THR 8 N 0.00 0.60 0.01 2.19 1.03 -1.92 0.64 112.91 115.47 2grg h THR 8 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.04 2grg h THR 8 Cb 0.75 0.94 -0.05 0.00 -1.07 0.00 0.00 68.15 68.72 2grg h THR 8 CO 0.04 0.00 -1.94 -0.62 -0.01 0.00 0.00 175.52 172.99 2grg n GLU 9 N -3.98 0.59 0.03 0.00 -0.58 -0.83 -4.50 120.64 111.37 2grg n GLU 9 Ca -0.01 0.39 -0.02 0.00 -0.42 0.00 0.00 57.16 57.11 2grg n GLU 9 Cb 0.18 -1.62 0.24 0.00 -0.57 0.00 0.00 31.44 29.68 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 -0.86 1.24 0.35 2.62 2.07 -1.14 -2.34 116.25 118.18 2grg h VAL 10 Ca -0.52 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2grg h VAL 10 Cb 1.53 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2grg h VAL 10 CO -0.28 0.36 -0.36 0.25 0.02 0.00 0.00 177.57 177.57 2grg h LEU 11 N 0.41 -0.98 -1.26 2.57 5.85 -1.11 -0.18 115.31 120.62 2grg h LEU 11 Ca 0.07 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2grg h LEU 11 Cb 0.57 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2grg h LEU 11 CO 0.04 -0.47 -0.32 1.55 -0.34 0.00 0.00 178.44 178.90 2grg h PRO 12 N -0.70 0.00 -0.01 5.25 0.13 -1.78 -2.89 132.00 132.00 2grg h PRO 12 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2grg h PRO 12 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2grg h PRO 12 CO -0.05 0.32 -0.03 0.54 -0.23 0.00 0.00 178.00 178.56 2grg n ARG 13 N -3.75 1.14 -2.85 0.86 1.74 -0.88 -4.87 116.66 108.04 2grg n ARG 13 Ca -0.01 -0.38 -0.30 0.00 -0.77 0.00 0.00 57.85 56.39 2grg n ARG 13 Cb 0.42 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.13 3.34 0.00 7.54 0.00 -0.10 -4.22 121.76 126.19 2grg s ALA 14 Ca 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2grg s ALA 14 Cb 0.21 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2grg s ALA 14 CO 0.39 -0.01 0.59 1.33 0.00 0.00 0.00 175.76 178.05 2grg n VAL 15 N -1.28 0.21 -3.53 0.00 0.24 0.16 -4.95 118.33 109.18 2grg n VAL 15 Ca 0.03 -0.58 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 2grg n VAL 15 Cb 0.54 0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.21 -0.48 -0.19 7.63 0.00 -0.88 -0.64 107.32 112.56 2grg s GLY 16 Ca 0.00 0.50 -0.17 0.00 0.00 0.00 0.00 44.72 45.06 2grg s GLY 16 CO 0.00 0.16 0.50 -1.35 0.00 0.00 0.00 173.10 172.42 2grg s SER 17 N -2.71 -0.54 -0.21 1.64 1.04 0.68 -0.14 113.70 113.46 2grg s SER 17 Ca 0.04 1.02 -0.00 0.00 0.48 0.00 0.00 55.95 57.49 2grg s SER 17 Cb -0.02 1.02 0.02 0.00 0.10 0.00 0.00 66.02 67.14 2grg s SER 17 CO -0.08 -0.18 -0.13 -0.76 0.98 0.00 0.00 173.24 173.07 2grg s LEU 18 N 0.44 2.65 -0.28 2.42 1.43 0.74 -0.88 118.68 125.19 2grg s LEU 18 Ca -0.01 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 2grg s LEU 18 Cb -0.04 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2grg s LEU 18 CO -0.02 -0.05 0.43 -0.89 0.23 0.00 0.00 176.35 176.05 2grg s THR 19 N 1.32 5.13 0.19 5.49 2.01 0.96 -0.11 115.64 130.62 2grg s THR 19 Ca 0.03 0.60 0.09 0.00 0.31 0.00 0.00 61.69 62.71 2grg s THR 19 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2grg s THR 19 CO -0.08 0.08 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.49 2grg s PHE 20 N 2.17 2.67 0.63 4.92 0.40 0.20 0.58 117.98 129.56 2grg s PHE 20 Ca 0.17 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2grg s PHE 20 Cb -0.16 -1.29 0.06 0.00 0.51 0.00 0.00 43.02 42.14 2grg s PHE 20 CO 0.10 0.52 0.88 0.34 0.70 0.00 0.00 175.22 177.77 2grg s ASP 21 N -2.92 4.94 0.56 1.36 2.15 0.12 -1.89 116.67 121.00 2grg s ASP 21 Ca 0.26 -0.00 0.32 0.00 0.43 0.00 0.00 52.55 53.56 2grg s ASP 21 Cb -0.09 -0.71 1.66 0.00 -0.30 0.00 0.00 42.92 43.49 2grg s ASP 21 CO 0.16 -1.42 2.13 1.05 -0.17 0.00 0.00 175.17 176.92 2grg h GLU 22 N -0.22 0.00 -0.45 4.34 4.11 -1.89 0.73 114.58 121.20 2grg h GLU 22 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2grg h GLU 22 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2grg h GLU 22 CO 0.51 0.07 0.00 0.09 0.07 0.00 0.00 179.01 179.74 2grg n ASN 23 N -3.43 1.50 -1.86 3.06 3.02 -1.26 -4.86 115.26 111.43 2grg n ASN 23 Ca -0.02 -2.09 -0.18 0.00 -0.03 0.00 0.00 54.58 52.26 2grg n ASN 23 Cb 0.21 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.11 -0.57 -3.61 3.10 4.01 0.25 -4.97 117.16 115.48 2grg n TYR 24 Ca 0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.44 2grg n TYR 24 Cb 0.29 -3.46 -0.07 0.00 -0.31 0.00 0.00 39.34 35.79 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 -2.39 6.43 0.03 7.72 0.01 -1.25 -4.79 114.94 120.70 2grg s ASN 25 Ca 0.00 0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 52.35 2grg s ASN 25 Cb 0.00 -2.16 -0.07 0.00 0.41 0.00 0.00 41.25 39.43 2grg s ASN 25 CO 0.00 0.18 1.67 -0.22 -1.51 0.00 0.00 177.10 177.22 2grg s LEU 26 N 0.10 4.36 -0.20 0.60 2.96 -1.26 0.16 118.68 125.39 2grg s LEU 26 Ca 0.16 2.42 -0.13 0.00 -0.22 0.00 0.00 54.13 56.35 2grg s LEU 26 Cb -0.13 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 2grg s LEU 26 CO 0.04 -0.91 -0.30 0.18 -1.32 0.00 0.00 176.35 174.04 2grg n LEU 27 N 6.24 1.71 -4.00 -0.68 4.77 0.20 -4.91 117.00 120.32 2grg n LEU 27 Ca 0.17 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.27 2grg n LEU 27 Cb 0.41 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2grg n LEU 27 CO 0.63 0.21 -0.42 -0.62 -1.33 0.00 0.00 177.39 175.86 2grg s ASP 28 N -6.72 0.85 -0.18 -1.43 2.15 -0.86 -4.98 116.67 105.50 2grg s ASP 28 Ca -0.30 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2grg s ASP 28 Cb 0.10 -0.08 0.04 0.00 -0.30 0.00 0.00 42.92 42.68 2grg s ASP 28 CO 0.40 0.06 -0.08 -0.89 -0.17 0.00 0.00 175.17 174.49 2grg s THR 29 N -0.30 1.37 0.13 1.71 2.01 -1.26 -0.03 115.64 119.27 2grg s THR 29 Ca 0.01 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.25 2grg s THR 29 Cb -0.04 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2grg s THR 29 CO -0.00 0.15 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.53 2grg s SER 30 N 1.52 1.78 0.30 3.53 0.01 -0.06 -4.74 113.70 116.04 2grg s SER 30 Ca -0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2grg s SER 30 Cb -0.16 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2grg s SER 30 CO -0.08 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2grg n GLY 31 N 0.20 -0.18 0.32 3.44 0.00 -1.26 -0.23 105.19 107.48 2grg n GLY 31 Ca -0.13 -1.02 0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 0.09 0.00 1.61 2.07 -1.22 -2.15 116.25 116.65 2grg h VAL 32 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2grg h VAL 32 Cb 0.00 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2grg h VAL 32 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2grg h ALA 33 N 1.99 1.00 -0.15 1.67 0.00 -1.80 -0.58 119.26 121.39 2grg h ALA 33 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2grg h ALA 33 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2grg h ALA 33 CO 0.00 0.00 -0.67 0.87 0.00 0.00 0.00 179.25 179.45 2grg h LYS 34 N 0.00 0.61 0.00 0.00 1.57 -1.56 -3.21 116.57 113.98 2grg h LYS 34 Ca 0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2grg h LYS 34 Cb 0.02 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2grg h LYS 34 CO 0.00 1.07 -1.28 1.33 -0.57 0.00 0.00 179.45 180.00 2grg n VAL 35 N -3.92 0.36 -2.23 0.50 0.24 -0.36 -4.86 118.33 108.07 2grg n VAL 35 Ca -0.05 -0.48 -0.41 0.00 -2.04 0.00 0.00 64.34 61.36 2grg n VAL 35 Cb 0.68 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.88 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 -3.38 3.19 0.44 1.34 1.01 -0.43 -4.99 121.20 118.38 2grg s ILE 36 Ca -0.02 1.01 -0.24 0.00 0.00 0.00 0.00 60.65 61.41 2grg s ILE 36 Cb 0.12 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 2grg s ILE 36 CO 0.82 0.17 1.18 -1.83 0.00 0.00 0.00 174.94 175.28 2grg s GLU 37 N -0.42 3.86 -1.12 2.79 1.03 -1.26 -4.89 118.70 118.69 2grg s GLU 37 Ca 0.55 1.82 -0.19 0.00 0.03 0.00 0.00 54.97 57.18 2grg s GLU 37 Cb -0.36 -2.52 0.10 0.00 -0.80 0.00 0.00 34.13 30.55 2grg s GLU 37 CO 0.40 -0.48 1.45 0.15 -1.33 0.00 0.00 175.26 175.46 2grg s LYS 38 N -2.54 3.82 0.85 -4.83 3.01 -1.26 -4.99 119.74 113.79 2grg s LYS 38 Ca 0.61 -1.84 -0.14 0.00 -1.01 0.00 0.00 55.97 53.59 2grg s LYS 38 Cb -0.30 -5.24 0.20 0.00 -1.01 0.00 0.00 37.83 31.47 2grg s LYS 38 CO 0.37 -2.02 1.11 -1.13 0.51 0.00 0.00 175.35 174.19 2grg n SER 39 N 7.49 -0.06 -2.04 2.83 3.41 -1.26 -4.87 113.62 119.12 2grg n SER 39 Ca 0.36 -1.38 -0.02 0.00 -0.26 0.00 0.00 58.87 57.57 2grg n SER 39 Cb 0.47 -0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 2grg n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2grg n PRO 40 N -3.46 0.56 -0.08 4.33 -0.04 -1.26 -4.39 135.00 130.66 2grg n PRO 40 Ca 0.14 -0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2grg n PRO 40 Cb 0.49 -1.49 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2grg h ILE 41 N 2.08 1.02 -0.40 0.52 2.04 -1.92 -1.31 117.51 119.54 2grg h ILE 41 Ca 0.03 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2grg h ILE 41 Cb 0.48 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2grg h ILE 41 CO 0.18 0.11 0.27 0.00 0.00 0.00 0.00 178.15 178.71 2grg h ALA 42 N 1.68 1.87 -0.36 1.87 0.00 -1.91 0.33 119.26 122.74 2grg h ALA 42 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2grg h ALA 42 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2grg h ALA 42 CO -0.07 0.08 -0.11 1.49 0.00 0.00 0.00 179.25 180.64 2grg h GLU 43 N 0.41 0.62 0.00 0.00 4.57 -1.60 -1.81 114.58 116.77 2grg h GLU 43 Ca 0.17 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 58.01 2grg h GLU 43 Cb 0.15 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2grg h GLU 43 CO -0.04 0.72 -0.75 0.82 -1.18 0.00 0.00 179.01 178.59 2grg h ILE 44 N 0.57 1.15 -0.17 2.32 1.08 -0.93 -2.89 117.51 118.64 2grg h ILE 44 Ca 0.10 -2.65 -0.00 0.00 -0.39 0.00 0.00 64.86 61.92 2grg h ILE 44 Cb 0.53 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.83 2grg h ILE 44 CO 0.03 0.65 0.09 0.40 -0.69 0.00 0.00 178.15 178.63 2grg h ILE 45 N 0.00 1.11 -0.59 -0.67 2.04 0.08 0.17 117.51 119.66 2grg h ILE 45 Ca -0.02 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 2grg h ILE 45 Cb 1.54 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2grg h ILE 45 CO 0.09 0.11 0.08 0.08 0.00 0.00 0.00 178.15 178.51 2grg h ARG 46 N 0.16 0.96 0.06 2.37 0.11 -1.40 0.28 114.38 116.92 2grg h ARG 46 Ca 0.06 -0.24 0.01 0.00 0.10 0.00 0.00 59.98 59.90 2grg h ARG 46 Cb 0.09 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 2grg h ARG 46 CO -0.01 0.90 -0.10 0.87 0.10 0.00 0.00 179.97 181.73 2grg h LYS 47 N 0.90 -0.19 0.00 0.08 1.57 -1.27 -2.48 116.57 115.18 2grg h LYS 47 Ca 0.18 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2grg h LYS 47 Cb 0.41 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2grg h LYS 47 CO 0.01 -0.13 -0.28 0.77 -0.57 0.00 0.00 179.45 179.25 2grg h SER 48 N -0.20 0.00 -0.35 0.86 0.02 -0.28 -1.21 113.55 112.39 2grg h SER 48 Ca 0.02 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2grg h SER 48 Cb 0.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2grg h SER 48 CO -0.06 0.28 0.05 -1.13 -1.14 0.00 0.00 176.83 174.83 2grg h ASN 49 N 0.00 0.64 1.08 3.07 -1.24 -0.10 0.11 115.58 119.14 2grg h ASN 49 Ca -0.00 -0.12 -0.16 0.00 0.71 0.00 0.00 56.30 56.73 2grg h ASN 49 Cb 0.58 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 2grg h ASN 49 CO 0.04 0.68 -0.74 0.00 -1.29 0.00 0.00 177.43 176.11 2grg h ALA 50 N 1.40 0.59 -0.12 1.57 0.00 -0.87 -3.31 119.26 118.52 2grg h ALA 50 Ca 0.14 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2grg h ALA 50 Cb 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2grg h ALA 50 CO 0.01 0.93 -0.48 0.93 0.00 0.00 0.00 179.25 180.63 2grg h GLU 51 N 0.00 0.54 0.00 0.00 4.39 -0.46 -3.49 114.58 115.56 2grg h GLU 51 Ca -0.01 -0.42 -0.23 0.00 0.34 0.00 0.00 59.36 59.05 2grg h GLU 51 Cb 1.48 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 30.15 2grg h GLU 51 CO 0.10 1.04 -0.20 1.47 -1.16 0.00 0.00 179.01 180.26 2grg n LEU 52 N -4.24 0.00 0.00 1.33 -0.00 0.30 -5.08 117.00 109.31 2grg n LEU 52 Ca -0.08 -1.66 0.00 0.00 -0.00 0.00 0.00 56.01 54.28 2grg n LEU 52 Cb 0.59 1.05 0.00 0.00 -0.00 0.00 0.00 43.42 45.05 2grg n LEU 52 CO 0.46 -0.30 0.00 0.61 -0.00 0.00 0.00 177.39 178.16 2grg n GLY 53 N -0.33 0.23 0.07 1.47 0.00 -1.26 -4.60 105.19 100.76 2grg n GLY 53 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.83 0.26 -2.00 1.61 3.00 -1.26 -2.42 116.66 115.02 2grg n ARG 54 Ca 0.00 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.85 57.42 2grg n ARG 54 Cb 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.02 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 -2.84 2.81 -0.14 6.15 2.01 -1.26 -3.96 118.68 121.45 2grg s LEU 55 Ca 0.16 0.88 -0.03 0.00 0.01 0.00 0.00 54.13 55.15 2grg s LEU 55 Cb 0.18 -3.56 -0.03 0.00 0.01 0.00 0.00 46.19 42.79 2grg s LEU 55 CO 0.63 -1.52 -0.04 -0.83 1.01 0.00 0.00 176.35 175.60 2grg s GLY 56 N -4.44 1.72 -0.14 -3.19 0.00 0.22 -4.47 107.32 97.01 2grg s GLY 56 Ca 0.59 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 2grg s GLY 56 CO 0.49 -0.19 -0.10 -0.47 0.00 0.00 0.00 173.10 172.84 2grg s TYR 57 N 0.12 2.88 -0.27 1.90 5.04 -1.16 -2.87 117.35 122.99 2grg s TYR 57 Ca -0.01 -0.55 -0.28 0.00 -2.44 0.00 0.00 57.07 53.78 2grg s TYR 57 Cb -0.14 -1.89 -0.03 0.00 0.35 0.00 0.00 41.96 40.25 2grg s TYR 57 CO 0.03 -0.17 1.99 -1.12 -1.34 0.00 0.00 175.55 174.94 2grg s SER 58 N 0.40 5.70 -0.13 4.32 0.01 -1.26 -0.47 113.70 122.27 2grg s SER 58 Ca -0.08 1.59 0.13 0.00 1.31 0.00 0.00 55.95 58.90 2grg s SER 58 Cb -0.15 -2.52 -0.18 0.00 0.21 0.00 0.00 66.02 63.38 2grg s SER 58 CO 0.04 -1.81 0.07 1.33 0.41 0.00 0.00 173.24 173.28 2grg n VAL 59 N 7.55 0.91 -3.78 3.43 0.24 0.90 -4.90 118.33 122.68 2grg n VAL 59 Ca 0.26 -0.58 -0.29 0.00 -2.04 0.00 0.00 64.34 61.69 2grg n VAL 59 Cb 0.46 -0.57 -0.16 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.39 1.49 -0.22 6.34 6.14 -1.07 -4.95 117.35 122.69 2grg s TYR 60 Ca -0.07 -1.27 -0.05 0.00 0.64 0.00 0.00 57.07 56.32 2grg s TYR 60 Cb 0.05 -1.32 -0.02 0.00 0.42 0.00 0.00 41.96 41.09 2grg s TYR 60 CO 0.58 -0.71 -0.01 -2.00 0.64 0.00 0.00 175.55 174.05 2grg s GLU 61 N 1.70 3.49 0.27 4.97 2.12 -1.26 0.66 118.70 130.65 2grg s GLU 61 Ca 0.01 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 54.85 2grg s GLU 61 Cb -0.18 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2grg s GLU 61 CO -0.12 -0.14 -0.11 0.34 -0.54 0.00 0.00 175.26 174.69 2grg s ASP 62 N 1.39 2.98 0.61 -1.70 2.15 0.86 -5.01 116.67 117.95 2grg s ASP 62 Ca 0.05 -1.12 0.37 0.00 0.43 0.00 0.00 52.55 52.28 2grg s ASP 62 Cb -0.15 -0.21 1.96 0.00 -0.30 0.00 0.00 42.92 44.23 2grg s ASP 62 CO -0.00 -0.22 2.23 0.00 -0.17 0.00 0.00 175.17 177.01 2grg h ALA 63 N 2.31 1.14 0.00 3.66 0.00 -2.03 -3.16 119.26 121.19 2grg h ALA 63 Ca -0.40 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2grg h ALA 63 Cb 1.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2grg h ALA 63 CO 0.65 0.03 -0.84 1.04 0.00 0.00 0.00 179.25 180.13 2grg n GLN 64 N -3.32 0.49 -4.29 0.00 6.02 -1.26 -4.98 117.38 110.04 2grg n GLN 64 Ca -0.02 0.47 -0.16 0.00 -0.01 0.00 0.00 57.00 57.28 2grg n GLN 64 Cb 0.15 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.65 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 -2.38 1.44 -0.09 1.08 2.02 -1.20 -3.52 117.35 114.71 2grg s TYR 65 Ca -0.21 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 2grg s TYR 65 Cb 0.04 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 2grg s TYR 65 CO 0.34 0.17 -0.06 0.42 -1.57 0.00 0.00 175.55 174.84 2grg s ILE 66 N -3.21 0.82 -0.02 2.71 1.01 0.11 -0.10 121.20 122.53 2grg s ILE 66 Ca 0.20 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 2grg s ILE 66 Cb 0.02 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2grg s ILE 66 CO 0.03 0.32 0.32 -0.83 0.00 0.00 0.00 174.94 174.78 2grg s GLY 67 N 1.47 2.35 -0.09 6.18 0.00 0.21 -0.53 107.32 116.91 2grg s GLY 67 Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.34 2grg s GLY 67 CO -0.04 -0.11 -0.16 0.30 0.00 0.00 0.00 173.10 173.09 2grg s HIS 68 N -1.15 1.90 -0.14 1.90 0.09 0.36 -0.07 115.29 118.19 2grg s HIS 68 Ca 0.24 -0.78 -0.28 0.00 -0.00 0.00 0.00 55.06 54.23 2grg s HIS 68 Cb -0.15 -1.34 -0.01 0.00 -0.00 0.00 0.00 32.58 31.08 2grg s HIS 68 CO 0.12 -0.37 0.95 0.00 -0.00 0.00 0.00 174.74 175.44 2grg s ALA 69 N 0.66 3.47 -0.01 -1.40 0.00 0.38 -1.06 121.76 123.81 2grg s ALA 69 Ca -0.14 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2grg s ALA 69 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2grg s ALA 69 CO 0.04 -0.66 -0.19 -0.06 0.00 0.00 0.00 175.76 174.89 2grg s PHE 70 N 2.16 2.54 -0.10 0.00 0.40 0.90 -3.00 117.98 120.88 2grg s PHE 70 Ca 0.45 -0.27 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 2grg s PHE 70 Cb -0.17 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 2grg s PHE 70 CO 0.15 0.15 0.78 0.15 0.70 0.00 0.00 175.22 177.15 2grg s LYS 71 N -0.96 4.39 0.20 0.44 3.01 -1.02 -1.11 119.74 124.70 2grg s LYS 71 Ca 0.12 0.99 0.01 0.00 -1.01 0.00 0.00 55.97 56.08 2grg s LYS 71 Cb -0.10 -3.50 0.01 0.00 -1.01 0.00 0.00 37.83 33.23 2grg s LYS 71 CO 0.02 -0.11 0.08 1.63 0.51 0.00 0.00 175.35 177.49 2grg n LYS 72 N 4.37 1.34 -1.74 1.68 4.76 0.12 -4.69 118.16 124.01 2grg n LYS 72 Ca 0.02 -1.36 -0.18 0.00 -2.87 0.00 0.00 58.31 53.91 2grg n LYS 72 Cb 0.50 0.25 -0.06 0.00 -1.84 0.00 0.00 35.03 33.88 2grg n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2grg s ALA 73 N -2.32 1.02 -0.82 7.82 0.00 -1.26 -2.61 121.76 123.59 2grg s ALA 73 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2grg s ALA 73 Cb -0.01 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2grg s ALA 73 CO 0.04 -5.55 0.00 0.41 0.00 0.00 0.00 175.76 170.66 2grg n GLY 74 N 6.83 0.94 3.42 0.00 0.00 -1.26 -4.96 105.19 110.16 2grg n GLY 74 Ca 0.45 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.14 0.93 -0.09 1.61 4.02 -1.07 -4.38 115.29 114.17 2grg s HIS 75 Ca 0.00 -1.17 0.02 0.00 1.02 0.00 0.00 55.06 54.93 2grg s HIS 75 Cb 0.00 -0.18 0.01 0.00 -1.02 0.00 0.00 32.58 31.39 2grg s HIS 75 CO 0.00 -0.93 -0.16 -0.06 1.02 0.00 0.00 174.74 174.61 2grg s PHE 76 N -3.69 1.84 -0.04 1.40 0.08 -0.79 0.14 117.98 116.91 2grg s PHE 76 Ca 0.31 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.63 2grg s PHE 76 Cb 0.02 -1.31 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2grg s PHE 76 CO 0.15 -0.37 -0.10 0.42 -0.10 0.00 0.00 175.22 175.22 2grg s ILE 77 N 0.70 0.94 -0.35 0.64 1.01 -0.26 0.63 121.20 124.50 2grg s ILE 77 Ca -0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 2grg s ILE 77 Cb -0.16 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2grg s ILE 77 CO 0.03 0.29 0.18 -0.69 0.00 0.00 0.00 174.94 174.76 2grg s VAL 78 N 0.37 4.59 -0.22 2.92 1.01 0.84 -0.07 120.40 129.85 2grg s VAL 78 Ca -0.07 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2grg s VAL 78 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2grg s VAL 78 CO 0.02 -0.10 0.44 -0.31 0.00 0.00 0.00 175.10 175.14 2grg s TYR 79 N 1.58 3.34 -0.31 5.22 1.51 -0.22 -0.19 117.35 128.29 2grg s TYR 79 Ca 0.03 0.63 -0.14 0.00 -1.01 0.00 0.00 57.07 56.58 2grg s TYR 79 Cb -0.18 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 2grg s TYR 79 CO 0.06 -0.09 0.32 -0.06 -1.11 0.00 0.00 175.55 174.67 2grg s PHE 80 N 1.60 3.22 0.18 2.71 0.40 0.81 -0.49 117.98 126.42 2grg s PHE 80 Ca 0.20 0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.72 2grg s PHE 80 Cb -0.15 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 2grg s PHE 80 CO 0.09 -0.30 0.07 0.95 0.70 0.00 0.00 175.22 176.73 2grg s THR 81 N 1.95 4.09 -0.49 0.64 -4.23 0.31 0.36 115.64 118.28 2grg s THR 81 Ca 0.11 -1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 59.28 2grg s THR 81 Cb -0.16 -3.09 -0.11 0.00 1.34 0.00 0.00 72.50 70.47 2grg s THR 81 CO 0.11 -0.14 2.35 -0.81 -0.54 0.00 0.00 174.62 175.59 2grg n PRO 82 N -0.33 1.76 -2.51 3.99 -0.04 -1.26 0.10 135.00 136.71 2grg n PRO 82 Ca -0.09 -1.07 -0.17 0.00 -0.04 0.00 0.00 63.50 62.12 2grg n PRO 82 Cb 0.55 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.37 -2.26 -2.06 0.54 5.02 -1.23 -4.87 118.16 116.68 2grg n LYS 83 Ca 0.38 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 57.12 2grg n LYS 83 Cb 0.37 -5.27 -0.04 0.00 -0.02 0.00 0.00 35.03 30.08 2grg n LYS 83 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2grg s ASN 84 N -2.41 5.26 0.00 4.39 2.47 -1.26 -4.79 114.94 118.59 2grg s ASN 84 Ca 0.08 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.35 2grg s ASN 84 Cb -0.04 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2grg s ASN 84 CO 0.10 -2.48 0.00 1.17 -3.72 0.00 0.00 177.10 172.18 2grg n LYS 85 N 9.08 0.00 -3.76 0.43 4.81 -1.26 -5.01 118.16 122.46 2grg n LYS 85 Ca 0.26 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.47 2grg n LYS 85 Cb 0.50 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.38 2grg n LYS 85 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2grg s ASN 86 N -0.78 1.72 0.00 3.14 4.22 -1.26 -4.97 114.94 117.00 2grg s ASN 86 Ca 0.00 -0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.56 2grg s ASN 86 Cb 0.00 -0.44 0.00 0.00 1.28 0.00 0.00 41.25 42.09 2grg s ASN 86 CO 0.00 -0.21 0.00 0.54 -2.04 0.00 0.00 177.10 175.39 2grg n ARG 87 N 5.15 0.00 -3.66 3.55 1.74 -1.26 -5.12 116.66 117.06 2grg n ARG 87 Ca -0.07 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.95 2grg n ARG 87 Cb 0.50 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.87 2grg n ARG 87 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2grg s GLU 88 N -0.20 0.55 0.00 5.56 2.12 -1.26 -4.90 118.70 120.58 2grg s GLU 88 Ca 0.00 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.53 2grg s GLU 88 Cb 0.00 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2grg s GLU 88 CO 0.00 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 2grg n GLY 89 N 4.83 0.87 0.46 -1.50 0.00 -1.26 -4.86 105.19 103.73 2grg n GLY 89 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.18 0.00 -2.58 1.61 0.24 -1.26 -4.86 118.33 109.30 2grg n VAL 90 Ca 0.00 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.63 2grg n VAL 90 Cb 0.00 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.02 4.54 0.25 3.34 -7.23 -1.26 -4.45 120.40 113.57 2grg s VAL 91 Ca 0.38 1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 62.10 2grg s VAL 91 Cb 0.21 -4.19 -0.09 0.00 0.56 0.00 0.00 36.38 32.87 2grg s VAL 91 CO 0.34 -0.10 1.32 -2.16 -0.31 0.00 0.00 175.10 174.18 2grg s PRO 92 N 2.88 4.38 -0.53 4.82 0.04 -1.26 -4.89 135.00 140.43 2grg s PRO 92 Ca 0.49 2.12 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 2grg s PRO 92 Cb -0.19 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 2grg s PRO 92 CO 0.13 -0.23 1.59 -2.14 0.04 0.00 0.00 177.00 176.39 2grg s PRO 93 N -0.67 3.14 0.24 0.56 0.02 -1.26 -4.95 135.00 132.08 2grg s PRO 93 Ca 0.54 0.67 -0.31 0.00 0.02 0.00 0.00 61.00 61.91 2grg s PRO 93 Cb -0.38 -4.20 -0.12 0.00 0.02 0.00 0.00 34.50 29.82 2grg s PRO 93 CO 0.43 -2.12 1.66 1.33 -0.33 0.00 0.00 177.00 177.98 2grg n VAL 94 N 7.04 0.39 0.00 3.83 0.24 -1.26 -3.17 118.33 125.41 2grg n VAL 94 Ca 0.16 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2grg n VAL 94 Cb 0.49 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.92 2grg n VAL 94 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2grg n GLY 95 N 3.25 1.59 3.37 7.63 0.00 -1.26 -4.84 105.19 114.92 2grg n GLY 95 Ca 0.13 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.96 -0.30 -0.61 -1.09 -1.19 -4.94 121.20 118.04 2grg s ILE 96 Ca 0.00 -1.33 -0.18 0.00 -2.23 0.00 0.00 60.65 56.91 2grg s ILE 96 Cb 0.00 -4.50 0.19 0.00 -1.58 0.00 0.00 42.46 36.57 2grg s ILE 96 CO 0.00 -1.13 1.24 0.28 -1.23 0.00 0.00 174.94 174.10 2grg s THR 97 N 2.21 0.00 0.00 2.92 -1.32 -1.26 -4.64 115.64 113.55 2grg s THR 97 Ca 0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2grg s THR 97 Cb -0.21 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 2grg s THR 97 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97