#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 1.70 -0.15 2.12 -0.14 -1.26 -5.07 119.74 116.95 2grg s LYS 2 Ca 0.00 -1.99 0.16 0.00 -1.36 0.00 0.00 55.97 52.78 2grg s LYS 2 Cb 0.00 -0.27 -0.23 0.00 -1.68 0.00 0.00 37.83 35.65 2grg s LYS 2 CO 0.00 -0.45 0.11 0.45 -0.76 0.00 0.00 175.35 174.70 2grg n SER 3 N -1.06 0.74 -4.58 2.83 2.88 -1.26 -4.89 113.62 108.27 2grg n SER 3 Ca -0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 2grg n SER 3 Cb 0.65 1.07 -0.02 0.00 -0.75 0.00 0.00 64.21 65.16 2grg n SER 3 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2grg s SER 4 N -4.97 6.36 -0.10 -3.46 0.01 -1.26 -4.01 113.70 106.28 2grg s SER 4 Ca -0.08 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 2grg s SER 4 Cb 0.06 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2grg s SER 4 CO 0.72 -1.51 -0.02 -0.63 0.41 0.00 0.00 173.24 172.21 2grg s ILE 5 N 5.30 4.13 0.65 1.44 1.01 -0.88 -4.61 121.20 128.24 2grg s ILE 5 Ca 0.49 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.66 2grg s ILE 5 Cb -0.09 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 2grg s ILE 5 CO 0.27 0.58 1.30 -0.81 0.00 0.00 0.00 174.94 176.28 2grg n PRO 6 N 2.47 1.13 0.21 2.79 -0.04 -1.26 -0.04 135.00 140.26 2grg n PRO 6 Ca -0.18 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2grg n PRO 6 Cb 0.53 -2.54 0.47 0.00 -0.04 0.00 0.00 33.50 31.92 2grg n PRO 6 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2grg h ILE 7 N 0.54 1.06 0.00 0.52 6.09 -1.90 -1.78 117.51 122.04 2grg h ILE 7 Ca -0.51 -0.96 -0.00 0.00 -1.37 0.00 0.00 64.86 62.02 2grg h ILE 7 Cb 1.34 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 40.16 2grg h ILE 7 CO 0.53 0.26 -0.00 0.00 -3.07 0.00 0.00 178.15 175.87 2grg h THR 8 N 0.00 0.19 0.00 2.19 1.03 -1.90 0.18 112.91 114.59 2grg h THR 8 Ca -0.00 -0.02 -0.35 0.00 -0.01 0.00 0.00 66.41 66.03 2grg h THR 8 Cb 0.51 1.02 -0.05 0.00 -1.07 0.00 0.00 68.15 68.56 2grg h THR 8 CO 0.03 0.00 -1.91 -0.62 -0.01 0.00 0.00 175.52 173.02 2grg n GLU 9 N -3.35 0.58 -0.10 0.00 -0.58 -0.71 -4.55 120.64 111.92 2grg n GLU 9 Ca -0.03 0.41 -0.09 0.00 -0.42 0.00 0.00 57.16 57.03 2grg n GLU 9 Cb 0.08 -1.61 0.06 0.00 -0.57 0.00 0.00 31.44 29.40 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 -1.00 1.27 0.29 2.62 2.07 -1.10 -2.90 116.25 117.50 2grg h VAL 10 Ca -0.52 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 2grg h VAL 10 Cb 1.45 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2grg h VAL 10 CO -0.32 0.47 -0.33 0.25 0.02 0.00 0.00 177.57 177.66 2grg h LEU 11 N 0.71 -0.93 -1.60 2.57 5.85 -0.90 0.96 115.31 121.97 2grg h LEU 11 Ca 0.09 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2grg h LEU 11 Cb 0.80 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2grg h LEU 11 CO 0.07 -0.42 -0.22 1.55 -0.34 0.00 0.00 178.44 179.07 2grg h PRO 12 N -0.63 0.00 -0.30 5.25 0.13 -1.79 -2.25 132.00 132.42 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 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2grg h PRO 12 CO -0.06 0.22 0.00 0.54 -0.23 0.00 0.00 178.00 178.46 2grg n ARG 13 N -3.96 1.88 -3.24 0.86 1.74 -1.06 -4.91 116.66 107.98 2grg n ARG 13 Ca -0.02 -1.35 -0.30 0.00 -0.77 0.00 0.00 57.85 55.40 2grg n ARG 13 Cb 0.30 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.60 3.52 0.00 7.54 0.00 0.31 -4.27 121.76 127.26 2grg s ALA 14 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2grg s ALA 14 Cb 0.16 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2grg s ALA 14 CO 0.23 0.28 0.65 1.33 0.00 0.00 0.00 175.76 178.25 2grg n VAL 15 N -0.71 0.39 -3.55 0.00 0.24 0.14 -4.96 118.33 109.89 2grg n VAL 15 Ca 0.00 -0.60 -0.15 0.00 -2.04 0.00 0.00 64.34 61.55 2grg n VAL 15 Cb 0.53 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.39 -0.44 -0.09 7.63 0.00 -1.00 -1.21 107.32 111.82 2grg s GLY 16 Ca 0.00 1.67 -0.05 0.00 0.00 0.00 0.00 44.72 46.34 2grg s GLY 16 CO 0.00 1.04 0.21 -0.56 0.00 0.00 0.00 173.10 173.79 2grg s SER 17 N -1.06 -0.21 -0.25 1.64 0.01 0.33 0.75 113.70 114.91 2grg s SER 17 Ca -0.06 0.44 -0.06 0.00 1.31 0.00 0.00 55.95 57.58 2grg s SER 17 Cb -0.00 0.33 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 2grg s SER 17 CO 0.06 -0.15 0.03 -0.76 0.41 0.00 0.00 173.24 172.83 2grg s LEU 18 N 1.13 3.35 -0.36 2.44 1.43 0.86 -0.86 118.68 126.67 2grg s LEU 18 Ca -0.08 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 2grg s LEU 18 Cb -0.10 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2grg s LEU 18 CO -0.07 -0.07 0.56 -0.89 0.23 0.00 0.00 176.35 176.11 2grg s THR 19 N 1.54 4.97 0.15 5.49 2.01 0.59 -0.29 115.64 130.09 2grg s THR 19 Ca 0.05 0.40 0.07 0.00 0.31 0.00 0.00 61.69 62.52 2grg s THR 19 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2grg s THR 19 CO 0.01 -0.27 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.28 2grg s PHE 20 N 2.51 2.83 0.66 4.92 0.40 0.17 0.30 117.98 129.78 2grg s PHE 20 Ca 0.21 -0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.34 2grg s PHE 20 Cb -0.15 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.01 2grg s PHE 20 CO 0.14 0.49 0.98 0.34 0.70 0.00 0.00 175.22 177.87 2grg s ASP 21 N -2.68 5.11 0.57 1.36 2.15 0.10 -1.80 116.67 121.47 2grg s ASP 21 Ca 0.26 0.57 0.30 0.00 0.43 0.00 0.00 52.55 54.10 2grg s ASP 21 Cb -0.10 -1.34 1.75 0.00 -0.30 0.00 0.00 42.92 42.93 2grg s ASP 21 CO 0.17 -1.40 2.21 1.05 -0.17 0.00 0.00 175.17 177.03 2grg h GLU 22 N -0.45 0.00 -0.50 4.34 4.11 -1.89 0.15 114.58 120.34 2grg h GLU 22 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 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 0.60 0.03 0.00 0.09 0.07 0.00 0.00 179.01 179.81 2grg n ASN 23 N -3.76 1.87 -2.23 3.06 3.02 -1.26 -4.89 115.26 111.07 2grg n ASN 23 Ca -0.03 -2.13 -0.18 0.00 -0.03 0.00 0.00 54.58 52.22 2grg n ASN 23 Cb 0.12 -0.33 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.23 -1.20 -4.38 3.10 4.01 0.54 -5.01 117.16 114.45 2grg n TYR 24 Ca 0.09 0.21 -0.32 0.00 -0.16 0.00 0.00 57.90 57.72 2grg n TYR 24 Cb 0.36 -3.66 -0.10 0.00 -0.31 0.00 0.00 39.34 35.63 2grg n TYR 24 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2grg s ASN 25 N -2.49 4.78 0.10 7.72 2.20 -1.25 -4.79 114.94 121.21 2grg s ASN 25 Ca 0.12 -0.12 -0.31 0.00 -0.94 0.00 0.00 52.86 51.61 2grg s ASN 25 Cb -0.05 -1.15 -0.08 0.00 -2.00 0.00 0.00 41.25 37.96 2grg s ASN 25 CO 0.15 0.27 1.54 -0.22 -2.94 0.00 0.00 177.10 175.90 2grg s LEU 26 N -1.54 4.36 -0.19 3.54 2.96 -1.26 0.01 118.68 126.56 2grg s LEU 26 Ca 0.18 2.45 -0.14 0.00 -0.22 0.00 0.00 54.13 56.40 2grg s LEU 26 Cb -0.11 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 2grg s LEU 26 CO 0.09 -0.79 -0.31 0.18 -1.32 0.00 0.00 176.35 174.20 2grg n LEU 27 N 4.69 1.75 -3.86 -0.68 4.77 0.15 -4.88 117.00 118.94 2grg n LEU 27 Ca 0.14 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.30 2grg n LEU 27 Cb 0.41 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 2grg n LEU 27 CO 0.61 0.10 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.95 2grg s ASP 28 N -6.58 -0.03 -0.12 -1.43 2.15 -0.93 -5.01 116.67 104.72 2grg s ASP 28 Ca -0.30 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.67 2grg s ASP 28 Cb 0.08 0.24 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2grg s ASP 28 CO 0.40 -0.24 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.13 2grg s THR 29 N -0.80 1.49 0.10 1.71 2.01 -1.26 -0.30 115.64 118.59 2grg s THR 29 Ca -0.09 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2grg s THR 29 Cb -0.05 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 2grg s THR 29 CO 0.01 0.44 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.80 2grg s SER 30 N 1.19 1.77 0.30 3.53 0.01 -0.04 -4.82 113.70 115.64 2grg s SER 30 Ca -0.02 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2grg s SER 30 Cb -0.14 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2grg s SER 30 CO -0.05 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2grg n GLY 31 N 0.87 -0.07 0.27 3.44 0.00 -1.26 -0.51 105.19 107.92 2grg n GLY 31 Ca -0.18 -0.99 0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.50 -2.25 116.25 116.19 2grg h VAL 32 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2grg h VAL 32 Cb 0.00 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 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 2.03 1.01 -0.10 1.67 0.00 -1.80 -0.94 119.26 121.13 2grg h ALA 33 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2grg h ALA 33 Cb 0.18 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2grg h ALA 33 CO 0.00 -0.01 -0.64 0.87 0.00 0.00 0.00 179.25 179.46 2grg h LYS 34 N 0.00 0.61 0.00 0.00 1.57 -1.58 -3.24 116.57 113.92 2grg h LYS 34 Ca 0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2grg h LYS 34 Cb 0.03 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2grg h LYS 34 CO 0.00 1.14 -0.37 -0.39 -0.57 0.00 0.00 179.45 179.26 2grg h VAL 35 N 0.24 0.00 -3.85 0.50 -1.51 -1.42 -3.45 116.25 106.77 2grg h VAL 35 Ca -0.05 -0.54 -0.48 0.00 -1.23 0.00 0.00 66.70 64.40 2grg h VAL 35 Cb 1.29 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 2grg h VAL 35 CO 0.13 0.00 0.38 -0.63 -1.23 0.00 0.00 177.57 176.22 2grg s ILE 36 N -3.15 3.97 0.48 7.19 1.01 -0.57 -5.03 121.20 125.10 2grg s ILE 36 Ca 0.08 1.76 -0.22 0.00 0.00 0.00 0.00 60.65 62.27 2grg s ILE 36 Cb 0.12 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2grg s ILE 36 CO 0.67 0.26 1.13 -1.83 0.00 0.00 0.00 174.94 175.17 2grg s GLU 37 N -1.77 3.68 -1.11 2.79 -1.05 -1.26 -4.91 118.70 115.07 2grg s GLU 37 Ca 0.48 1.65 -0.16 0.00 -0.15 0.00 0.00 54.97 56.79 2grg s GLU 37 Cb -0.24 -2.26 0.15 0.00 -0.44 0.00 0.00 34.13 31.34 2grg s GLU 37 CO 0.30 -0.58 1.34 0.15 0.95 0.00 0.00 175.26 177.41 2grg s LYS 38 N -2.92 3.90 1.02 -4.83 3.01 -1.26 -5.01 119.74 113.65 2grg s LYS 38 Ca 0.66 -2.23 -0.15 0.00 -1.01 0.00 0.00 55.97 53.24 2grg s LYS 38 Cb -0.25 -5.04 0.20 0.00 -1.01 0.00 0.00 37.83 31.73 2grg s LYS 38 CO 0.30 -1.80 1.15 -1.12 0.51 0.00 0.00 175.35 174.38 2grg s SER 39 N 3.23 2.54 -0.27 2.83 0.01 -1.26 -4.87 113.70 115.90 2grg s SER 39 Ca 0.40 0.81 -0.03 0.00 1.31 0.00 0.00 55.95 58.44 2grg s SER 39 Cb -0.03 -1.24 -0.08 0.00 0.21 0.00 0.00 66.02 64.88 2grg s SER 39 CO -0.03 -3.14 1.80 -0.81 0.41 0.00 0.00 173.24 171.46 2grg n PRO 40 N -4.13 1.11 0.11 12.44 -0.04 -1.26 -4.51 135.00 138.72 2grg n PRO 40 Ca 0.09 -0.73 0.04 0.00 -0.04 0.00 0.00 63.50 62.86 2grg n PRO 40 Cb 0.59 -1.96 0.46 0.00 -0.04 0.00 0.00 33.50 32.55 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 3.00 1.11 -0.77 0.52 2.04 -1.93 -1.68 117.51 119.80 2grg h ILE 41 Ca 0.19 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.74 2grg h ILE 41 Cb 0.42 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2grg h ILE 41 CO 0.77 0.14 0.51 0.00 0.00 0.00 0.00 178.15 179.57 2grg h ALA 42 N 1.76 1.83 -0.88 1.87 0.00 -1.87 0.36 119.26 122.33 2grg h ALA 42 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2grg h ALA 42 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2grg h ALA 42 CO -0.00 -0.00 0.46 1.49 0.00 0.00 0.00 179.25 181.20 2grg h GLU 43 N 0.66 1.24 0.00 0.00 4.57 -1.68 -1.65 114.58 117.72 2grg h GLU 43 Ca 0.36 -0.16 -0.17 0.00 -1.18 0.00 0.00 59.36 58.21 2grg h GLU 43 Cb 0.52 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2grg h GLU 43 CO -0.14 0.92 -0.86 0.82 -1.18 0.00 0.00 179.01 178.58 2grg h ILE 44 N 1.24 1.31 -0.20 2.32 1.08 -0.94 -2.90 117.51 119.41 2grg h ILE 44 Ca 0.31 -2.88 -0.01 0.00 -0.39 0.00 0.00 64.86 61.89 2grg h ILE 44 Cb 0.06 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.43 2grg h ILE 44 CO -0.05 0.74 0.10 0.40 -0.69 0.00 0.00 178.15 178.66 2grg h ILE 45 N 0.00 1.12 -0.53 -0.67 2.04 0.08 0.14 117.51 119.69 2grg h ILE 45 Ca -0.03 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2grg h ILE 45 Cb 1.63 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2grg h ILE 45 CO 0.10 0.11 0.13 0.08 0.00 0.00 0.00 178.15 178.58 2grg h ARG 46 N 0.21 0.85 -0.33 2.37 0.11 -1.36 0.29 114.38 116.52 2grg h ARG 46 Ca 0.07 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2grg h ARG 46 Cb 0.09 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 2grg h ARG 46 CO -0.01 0.80 0.21 0.87 0.10 0.00 0.00 179.97 181.94 2grg h LYS 47 N 0.75 0.44 0.00 0.08 1.57 -1.31 -1.99 116.57 116.11 2grg h LYS 47 Ca 0.17 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2grg h LYS 47 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2grg h LYS 47 CO 0.00 0.31 -0.37 0.77 -0.57 0.00 0.00 179.45 179.59 2grg h SER 48 N 0.44 0.00 -0.16 0.86 0.02 -0.52 -2.30 113.55 111.88 2grg h SER 48 Ca 0.12 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2grg h SER 48 Cb -0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2grg h SER 48 CO -0.02 0.37 -0.04 -1.13 -1.14 0.00 0.00 176.83 174.86 2grg h ASN 49 N 0.00 0.42 1.12 3.07 -1.24 0.29 0.12 115.58 119.37 2grg h ASN 49 Ca -0.00 -0.08 -0.17 0.00 0.71 0.00 0.00 56.30 56.76 2grg h ASN 49 Cb 0.68 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.60 2grg h ASN 49 CO 0.05 0.52 -0.79 0.00 -1.29 0.00 0.00 177.43 175.92 2grg h ALA 50 N 1.53 0.53 0.03 1.57 0.00 -0.98 -3.35 119.26 118.58 2grg h ALA 50 Ca 0.09 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 2grg h ALA 50 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2grg h ALA 50 CO 0.01 0.98 -0.01 0.93 0.00 0.00 0.00 179.25 181.17 2grg h GLU 51 N 0.00 -0.04 0.00 0.00 4.39 -0.81 -3.49 114.58 114.64 2grg h GLU 51 Ca -0.01 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.26 2grg h GLU 51 Cb 1.56 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 30.13 2grg h GLU 51 CO 0.10 0.67 -0.33 1.47 -1.16 0.00 0.00 179.01 179.76 2grg n LEU 52 N -4.74 0.00 0.00 1.33 -0.00 0.36 -5.10 117.00 108.85 2grg n LEU 52 Ca -0.09 -2.19 0.00 0.00 -0.00 0.00 0.00 56.01 53.73 2grg n LEU 52 Cb 0.35 0.40 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 2grg n LEU 52 CO 0.30 -0.32 0.00 0.61 -0.00 0.00 0.00 177.39 177.98 2grg n GLY 53 N 0.60 -0.05 0.12 1.47 0.00 -1.24 -4.68 105.19 101.40 2grg n GLY 53 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.43 0.32 -2.30 1.61 3.00 0.19 -3.51 116.66 113.55 2grg n ARG 54 Ca 0.00 -0.23 -0.26 0.00 -0.00 0.00 0.00 57.85 57.36 2grg n ARG 54 Cb 0.00 -1.50 0.05 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 3.01 -0.33 6.15 2.01 -1.25 -3.58 118.68 121.85 2grg s LEU 55 Ca 0.13 0.55 0.04 0.00 0.01 0.00 0.00 54.13 54.85 2grg s LEU 55 Cb 0.17 -3.28 0.10 0.00 0.01 0.00 0.00 46.19 43.19 2grg s LEU 55 CO 0.72 -1.36 0.04 -0.83 1.01 0.00 0.00 176.35 175.93 2grg s GLY 56 N -4.42 1.91 0.16 -3.19 0.00 0.94 -4.45 107.32 98.27 2grg s GLY 56 Ca 0.57 -2.45 -0.30 0.00 0.00 0.00 0.00 44.72 42.55 2grg s GLY 56 CO 0.45 0.90 1.12 -0.47 0.00 0.00 0.00 173.10 175.11 2grg s TYR 57 N 0.93 3.55 -0.34 1.90 5.04 -1.17 -2.08 117.35 125.19 2grg s TYR 57 Ca 0.09 1.54 -0.28 0.00 -2.44 0.00 0.00 57.07 55.97 2grg s TYR 57 Cb -0.19 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 38.79 2grg s TYR 57 CO -0.07 -0.77 1.80 -1.12 -1.34 0.00 0.00 175.55 174.05 2grg s SER 58 N 0.11 5.88 -0.16 4.32 0.01 -1.26 -0.58 113.70 122.02 2grg s SER 58 Ca 0.51 1.28 0.12 0.00 1.31 0.00 0.00 55.95 59.17 2grg s SER 58 Cb -0.30 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.17 2grg s SER 58 CO 0.34 -1.72 0.22 1.33 0.41 0.00 0.00 173.24 173.82 2grg n VAL 59 N 7.41 1.50 -3.82 3.43 0.24 0.12 -4.85 118.33 122.36 2grg n VAL 59 Ca 0.23 -0.79 -0.28 0.00 -2.04 0.00 0.00 64.34 61.47 2grg n VAL 59 Cb 0.47 -0.86 -0.16 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.53 1.37 -0.31 6.34 5.04 -1.12 -4.96 117.35 121.18 2grg s TYR 60 Ca -0.13 -0.96 -0.06 0.00 -2.44 0.00 0.00 57.07 53.48 2grg s TYR 60 Cb 0.07 -1.16 0.02 0.00 0.35 0.00 0.00 41.96 41.24 2grg s TYR 60 CO 0.79 -0.60 0.08 -2.00 -1.34 0.00 0.00 175.55 172.48 2grg s GLU 61 N 1.74 2.85 0.53 4.97 2.12 -1.26 0.65 118.70 130.29 2grg s GLU 61 Ca -0.00 -1.02 0.08 0.00 0.36 0.00 0.00 54.97 54.39 2grg s GLU 61 Cb -0.16 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 30.90 2grg s GLU 61 CO -0.07 -0.54 0.58 0.34 -0.54 0.00 0.00 175.26 175.03 2grg s ASP 62 N 1.44 4.99 0.19 -1.70 -1.08 0.35 -5.00 116.67 115.86 2grg s ASP 62 Ca 0.00 -0.93 0.26 0.00 -0.52 0.00 0.00 52.55 51.37 2grg s ASP 62 Cb -0.18 0.12 0.85 0.00 -1.46 0.00 0.00 42.92 42.25 2grg s ASP 62 CO 0.02 -1.11 1.79 0.00 0.52 0.00 0.00 175.17 176.39 2grg n ALA 63 N -1.94 2.26 -0.09 3.66 0.00 -1.26 -4.12 120.51 119.02 2grg n ALA 63 Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 2grg n ALA 63 Cb 0.62 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2grg n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2grg n GLN 64 N -2.19 0.46 -4.36 0.00 6.02 -1.26 -5.03 117.38 111.02 2grg n GLN 64 Ca 0.06 0.19 -0.18 0.00 -0.01 0.00 0.00 57.00 57.05 2grg n GLN 64 Cb 0.41 -1.30 -0.10 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.64 1.67 -0.07 1.08 2.02 -1.26 -3.61 117.35 114.55 2grg s TYR 65 Ca -0.27 -0.93 0.01 0.00 -0.37 0.00 0.00 57.07 55.51 2grg s TYR 65 Cb 0.07 -1.00 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2grg s TYR 65 CO 0.38 -0.03 -0.08 0.42 -1.57 0.00 0.00 175.55 174.67 2grg s ILE 66 N -3.39 0.88 -0.03 2.71 1.01 0.93 -0.49 121.20 122.82 2grg s ILE 66 Ca 0.31 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 2grg s ILE 66 Cb 0.06 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 2grg s ILE 66 CO 0.11 0.31 0.29 -0.83 0.00 0.00 0.00 174.94 174.81 2grg s GLY 67 N 0.96 2.31 -0.07 6.18 0.00 0.21 -0.26 107.32 116.65 2grg s GLY 67 Ca -0.10 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2grg s GLY 67 CO 0.00 -0.16 -0.14 0.30 0.00 0.00 0.00 173.10 173.09 2grg s HIS 68 N -1.13 1.68 -0.18 1.90 0.09 0.49 0.16 115.29 118.30 2grg s HIS 68 Ca 0.22 -0.64 -0.24 0.00 -0.00 0.00 0.00 55.06 54.40 2grg s HIS 68 Cb -0.14 -1.20 -0.02 0.00 -0.00 0.00 0.00 32.58 31.22 2grg s HIS 68 CO 0.11 -0.31 0.77 0.00 -0.00 0.00 0.00 174.74 175.31 2grg s ALA 69 N 0.61 3.52 -0.02 -1.40 0.00 0.25 -0.98 121.76 123.75 2grg s ALA 69 Ca -0.15 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.81 2grg s ALA 69 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2grg s ALA 69 CO 0.05 -0.62 -0.19 -0.06 0.00 0.00 0.00 175.76 174.93 2grg s PHE 70 N 2.07 2.54 -0.24 0.00 0.40 0.27 -3.07 117.98 119.95 2grg s PHE 70 Ca 0.35 -0.28 -0.26 0.00 -0.60 0.00 0.00 56.93 56.14 2grg s PHE 70 Cb -0.16 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2grg s PHE 70 CO 0.12 0.12 0.90 0.15 0.70 0.00 0.00 175.22 177.21 2grg s LYS 71 N -0.85 4.20 0.53 0.44 3.01 -1.23 -1.90 119.74 123.93 2grg s LYS 71 Ca 0.12 1.07 0.05 0.00 -1.01 0.00 0.00 55.97 56.19 2grg s LYS 71 Cb -0.10 -3.65 0.02 0.00 -1.01 0.00 0.00 37.83 33.09 2grg s LYS 71 CO 0.01 -0.57 0.29 0.15 0.51 0.00 0.00 175.35 175.74 2grg s LYS 72 N 2.99 2.25 -0.67 1.68 -0.14 0.35 -4.86 119.74 121.33 2grg s LYS 72 Ca 0.38 -2.09 -0.26 0.00 -1.36 0.00 0.00 55.97 52.64 2grg s LYS 72 Cb -0.15 -1.96 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 2grg s LYS 72 CO 0.07 -0.52 2.24 0.00 -0.76 0.00 0.00 175.35 176.38 2grg s ALA 73 N -2.78 1.45 -0.39 5.17 0.00 -1.26 -2.51 121.76 121.44 2grg s ALA 73 Ca 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2grg s ALA 73 Cb -0.01 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2grg s ALA 73 CO 0.17 -4.86 0.00 0.41 0.00 0.00 0.00 175.76 171.48 2grg n GLY 74 N 6.32 0.54 3.36 0.00 0.00 -1.26 -4.95 105.19 109.21 2grg n GLY 74 Ca 0.37 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.73 0.99 -0.09 1.61 4.02 -1.05 -4.17 115.29 114.87 2grg s HIS 75 Ca 0.00 -1.22 0.01 0.00 1.02 0.00 0.00 55.06 54.88 2grg s HIS 75 Cb 0.00 -0.30 0.02 0.00 -1.02 0.00 0.00 32.58 31.28 2grg s HIS 75 CO 0.00 -0.84 -0.12 -0.06 1.02 0.00 0.00 174.74 174.74 2grg s PHE 76 N -3.88 1.66 -0.05 1.40 0.08 -0.75 -0.50 117.98 115.95 2grg s PHE 76 Ca 0.33 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2grg s PHE 76 Cb 0.03 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 2grg s PHE 76 CO 0.14 -0.41 -0.14 0.42 -0.10 0.00 0.00 175.22 175.13 2grg s ILE 77 N 1.04 1.23 -0.37 0.64 1.01 -0.80 0.46 121.20 124.41 2grg s ILE 77 Ca -0.07 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 2grg s ILE 77 Cb -0.15 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.27 2grg s ILE 77 CO -0.01 0.37 0.20 -0.69 0.00 0.00 0.00 174.94 174.81 2grg s VAL 78 N 0.31 4.49 -0.16 2.92 1.01 0.60 -0.56 120.40 129.02 2grg s VAL 78 Ca -0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 2grg s VAL 78 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2grg s VAL 78 CO 0.03 -0.25 0.49 -0.31 0.00 0.00 0.00 175.10 175.06 2grg s TYR 79 N 1.53 3.44 -0.26 5.22 1.51 -0.15 -0.10 117.35 128.55 2grg s TYR 79 Ca 0.02 0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 56.79 2grg s TYR 79 Cb -0.19 -2.60 -0.05 0.00 -0.11 0.00 0.00 41.96 39.01 2grg s TYR 79 CO 0.06 0.04 0.17 -0.06 -1.11 0.00 0.00 175.55 174.66 2grg s PHE 80 N 1.09 3.27 0.18 2.71 0.40 0.23 -0.38 117.98 125.47 2grg s PHE 80 Ca 0.25 0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 2grg s PHE 80 Cb -0.15 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 2grg s PHE 80 CO 0.10 -0.05 -0.02 0.95 0.70 0.00 0.00 175.22 176.90 2grg s THR 81 N 1.42 3.63 -0.34 0.64 -4.23 0.64 0.28 115.64 117.68 2grg s THR 81 Ca 0.07 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2grg s THR 81 Cb -0.15 -2.82 -0.11 0.00 1.34 0.00 0.00 72.50 70.77 2grg s THR 81 CO 0.08 -0.11 2.11 -0.81 -0.54 0.00 0.00 174.62 175.34 2grg n PRO 82 N -0.09 1.41 -1.61 3.99 -0.04 -1.26 -0.05 135.00 137.35 2grg n PRO 82 Ca -0.10 -0.87 -0.17 0.00 -0.04 0.00 0.00 63.50 62.32 2grg n PRO 82 Cb 0.55 -2.02 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 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 3.33 -1.44 -2.92 0.54 5.02 -1.24 -4.88 118.16 116.57 2grg n LYS 83 Ca 0.30 1.00 -0.43 0.00 -2.02 0.00 0.00 58.31 57.17 2grg n LYS 83 Cb 0.34 -5.36 -0.05 0.00 -0.02 0.00 0.00 35.03 29.94 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 -2.42 6.50 -0.33 4.39 4.22 -1.26 -4.90 114.94 121.14 2grg s ASN 84 Ca 0.00 0.16 0.04 0.00 -2.14 0.00 0.00 52.86 50.92 2grg s ASN 84 Cb 0.00 -2.41 0.52 0.00 1.28 0.00 0.00 41.25 40.64 2grg s ASN 84 CO 0.00 -0.87 1.68 2.29 -2.04 0.00 0.00 177.10 178.16 2grg n LYS 85 N 6.70 2.09 -0.54 3.55 2.85 -1.26 -5.01 118.16 126.55 2grg n LYS 85 Ca 0.04 -2.30 0.06 0.00 -1.05 0.00 0.00 58.31 55.06 2grg n LYS 85 Cb 0.48 -1.91 -0.03 0.00 -0.65 0.00 0.00 35.03 32.92 2grg n LYS 85 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2grg n ASN 86 N -0.67 -2.93 0.12 -5.58 2.85 -1.26 -4.76 115.26 103.03 2grg n ASN 86 Ca 0.44 0.56 -0.08 0.00 -0.11 0.00 0.00 54.58 55.39 2grg n ASN 86 Cb 1.37 -1.82 -0.05 0.00 1.24 0.00 0.00 39.78 40.53 2grg n ASN 86 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2grg h ARG 87 N -0.49 -0.43 -1.47 1.20 -0.00 -2.03 -3.47 114.38 107.69 2grg h ARG 87 Ca -0.07 0.03 0.10 0.00 -0.50 0.00 0.00 59.98 59.54 2grg h ARG 87 Cb 0.51 0.10 -0.26 0.00 0.00 0.00 0.00 29.97 30.32 2grg h ARG 87 CO 0.03 -0.29 0.59 -1.83 0.00 0.00 0.00 179.97 178.47 2grg s GLU 88 N -4.31 0.44 -0.68 0.04 -1.05 -1.26 -5.03 118.70 106.85 2grg s GLU 88 Ca -0.08 0.29 -0.01 0.00 -0.15 0.00 0.00 54.97 55.01 2grg s GLU 88 Cb 0.02 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 2grg s GLU 88 CO 0.28 -0.10 0.58 0.41 0.95 0.00 0.00 175.26 177.37 2grg n GLY 89 N 1.36 0.04 3.38 -3.83 0.00 -1.26 -5.01 105.19 99.88 2grg n GLY 89 Ca -0.10 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2grg n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grg s VAL 90 N -3.19 4.08 -0.38 1.61 0.11 -1.26 -5.05 120.40 116.32 2grg s VAL 90 Ca 0.10 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 2grg s VAL 90 Cb -0.04 -3.03 0.11 0.00 -1.53 0.00 0.00 36.38 31.88 2grg s VAL 90 CO 0.40 0.17 0.10 -0.69 -3.33 0.00 0.00 175.10 171.75 2grg s VAL 91 N 1.54 2.27 0.27 2.04 1.01 -1.26 -4.73 120.40 121.53 2grg s VAL 91 Ca 0.04 -2.52 -0.30 0.00 0.00 0.00 0.00 61.98 59.20 2grg s VAL 91 Cb -0.16 -2.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.46 2grg s VAL 91 CO 0.03 -0.65 1.43 -2.16 0.00 0.00 0.00 175.10 173.75 2grg s PRO 92 N 0.66 4.26 0.23 2.72 0.04 -1.26 -4.99 135.00 136.67 2grg s PRO 92 Ca 0.12 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 2grg s PRO 92 Cb -0.21 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 2grg s PRO 92 CO -0.07 -0.41 1.07 -2.14 0.04 0.00 0.00 177.00 175.49 2grg s PRO 93 N -0.65 4.67 0.32 0.56 0.02 -1.26 -5.01 135.00 133.64 2grg s PRO 93 Ca 0.58 1.71 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 2grg s PRO 93 Cb -0.42 -3.24 -0.10 0.00 0.02 0.00 0.00 34.50 30.76 2grg s PRO 93 CO 0.46 0.22 1.34 0.14 -0.33 0.00 0.00 177.00 178.83 2grg s VAL 94 N -0.82 2.66 -0.29 3.83 -7.23 -1.26 -4.93 120.40 112.35 2grg s VAL 94 Ca 0.46 0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 61.11 2grg s VAL 94 Cb -0.30 -3.41 0.15 0.00 0.56 0.00 0.00 36.38 33.39 2grg s VAL 94 CO 0.37 0.14 0.99 -0.83 -0.31 0.00 0.00 175.10 175.46 2grg s GLY 95 N -0.30 -0.01 -0.19 2.32 0.00 -1.26 -5.04 107.32 102.84 2grg s GLY 95 Ca 0.51 3.15 0.03 0.00 0.00 0.00 0.00 44.72 48.41 2grg s GLY 95 CO 0.52 2.73 -0.15 0.29 0.00 0.00 0.00 173.10 176.49 2grg n ILE 96 N 3.93 1.14 0.00 0.90 -5.35 -1.26 -0.64 119.36 118.08 2grg n ILE 96 Ca -0.17 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 2grg n ILE 96 Cb 0.57 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 2grg n ILE 96 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2grg n THR 97 N -3.02 0.00 0.00 7.28 5.66 -1.26 -3.41 114.28 119.53 2grg n THR 97 Ca -0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2grg n THR 97 Cb 0.90 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 2grg n THR 97 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82