#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg h LYS 2 N 0.00 -0.02 -2.12 0.03 1.63 -2.05 -3.51 116.57 110.54 2grg h LYS 2 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2grg h LYS 2 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2grg h LYS 2 CO 0.00 0.05 -0.51 0.43 -3.45 0.00 0.00 179.45 175.97 2grg n SER 3 N -4.78 -5.58 -4.55 4.20 7.64 -1.26 -4.82 113.62 104.47 2grg n SER 3 Ca -0.01 0.70 -0.42 0.00 1.01 0.00 0.00 58.87 60.15 2grg n SER 3 Cb 0.04 -2.22 -0.03 0.00 -1.01 0.00 0.00 64.21 60.98 2grg n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2grg s SER 4 N -2.20 6.35 0.00 6.43 0.01 -1.26 -4.80 113.70 118.22 2grg s SER 4 Ca 0.00 -0.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 2grg s SER 4 Cb 0.00 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 2grg s SER 4 CO 0.00 -1.47 0.44 -0.63 0.41 0.00 0.00 173.24 172.00 2grg s ILE 5 N 4.73 4.99 0.69 1.44 1.01 -1.11 -4.41 121.20 128.54 2grg s ILE 5 Ca 0.36 0.91 -0.16 0.00 0.00 0.00 0.00 60.65 61.77 2grg s ILE 5 Cb -0.10 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2grg s ILE 5 CO 0.21 0.56 1.20 -2.16 0.00 0.00 0.00 174.94 174.74 2grg s PRO 6 N -0.95 2.41 0.46 2.79 0.04 -1.26 0.13 135.00 138.62 2grg s PRO 6 Ca 0.25 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.25 2grg s PRO 6 Cb -0.17 -1.87 1.13 0.00 0.04 0.00 0.00 34.50 33.63 2grg s PRO 6 CO 0.14 -1.62 1.96 0.97 0.04 0.00 0.00 177.00 178.49 2grg h ILE 7 N 0.03 0.80 -0.09 0.56 6.09 -1.93 -1.63 117.51 121.33 2grg h ILE 7 Ca -0.48 -0.84 0.03 0.00 -1.37 0.00 0.00 64.86 62.19 2grg h ILE 7 Cb 1.29 1.51 -0.00 0.00 0.47 0.00 0.00 36.82 40.08 2grg h ILE 7 CO 0.51 0.21 0.09 0.00 -3.07 0.00 0.00 178.15 175.89 2grg h THR 8 N 0.00 0.64 0.01 2.19 1.03 -1.92 0.86 112.91 115.72 2grg h THR 8 Ca -0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 66.41 66.01 2grg h THR 8 Cb 0.49 0.93 -0.06 0.00 -1.07 0.00 0.00 68.15 68.45 2grg h THR 8 CO 0.03 0.00 -2.19 -0.62 -0.01 0.00 0.00 175.52 172.73 2grg n GLU 9 N -4.04 0.61 -0.06 0.00 -0.58 -0.69 -4.56 120.64 111.31 2grg n GLU 9 Ca -0.01 0.32 -0.06 0.00 -0.42 0.00 0.00 57.16 57.00 2grg n GLU 9 Cb 0.19 -1.57 0.14 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.77 1.26 0.25 2.62 2.07 -1.13 -2.76 116.25 117.79 2grg h VAL 10 Ca -0.58 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 2grg h VAL 10 Cb 1.61 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2grg h VAL 10 CO -0.29 0.41 -0.41 0.25 0.02 0.00 0.00 177.57 177.55 2grg h LEU 11 N 0.62 -1.17 -1.44 2.57 5.85 -1.08 0.64 115.31 121.31 2grg h LEU 11 Ca 0.10 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2grg h LEU 11 Cb 0.64 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2grg h LEU 11 CO 0.05 -0.48 -0.26 1.55 -0.34 0.00 0.00 178.44 178.95 2grg h PRO 12 N -0.70 0.03 0.00 5.25 0.13 -1.79 -2.51 132.00 132.41 2grg h PRO 12 Ca -0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2grg h PRO 12 Cb 0.64 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2grg h PRO 12 CO -0.14 0.29 0.00 0.54 -0.23 0.00 0.00 178.00 178.46 2grg n ARG 13 N -4.21 0.13 -2.99 0.86 1.74 -1.00 -4.83 116.66 106.34 2grg n ARG 13 Ca -0.02 0.17 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 2grg n ARG 13 Cb 0.32 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 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 -3.08 3.21 -0.00 7.54 0.00 0.18 -4.29 121.76 125.33 2grg s ALA 14 Ca 0.11 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2grg s ALA 14 Cb 0.14 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2grg s ALA 14 CO 0.50 0.25 0.81 1.33 0.00 0.00 0.00 175.76 178.65 2grg n VAL 15 N -0.36 0.63 -3.51 0.00 0.24 0.14 -4.94 118.33 110.52 2grg n VAL 15 Ca 0.04 -0.81 -0.17 0.00 -2.04 0.00 0.00 64.34 61.36 2grg n VAL 15 Cb 0.53 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 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 -0.63 -0.58 -0.18 7.63 0.00 -0.89 -0.96 107.32 111.71 2grg s GLY 16 Ca 0.00 1.21 -0.09 0.00 0.00 0.00 0.00 44.72 45.84 2grg s GLY 16 CO 0.00 0.86 0.42 -0.56 0.00 0.00 0.00 173.10 173.82 2grg s SER 17 N -1.36 -0.47 -0.24 1.64 0.01 0.75 0.58 113.70 114.61 2grg s SER 17 Ca -0.10 0.93 -0.06 0.00 1.31 0.00 0.00 55.95 58.03 2grg s SER 17 Cb -0.00 0.90 -0.02 0.00 0.21 0.00 0.00 66.02 67.11 2grg s SER 17 CO 0.07 -0.20 0.02 -0.76 0.41 0.00 0.00 173.24 172.78 2grg s LEU 18 N 1.66 3.23 -0.37 2.44 1.43 0.69 -1.11 118.68 126.65 2grg s LEU 18 Ca -0.08 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 2grg s LEU 18 Cb -0.09 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2grg s LEU 18 CO -0.13 -0.04 0.52 -0.89 0.23 0.00 0.00 176.35 176.04 2grg s THR 19 N 1.55 5.00 0.18 5.49 2.01 0.54 -0.33 115.64 130.08 2grg s THR 19 Ca 0.06 0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.33 2grg s THR 19 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2grg s THR 19 CO 0.01 -0.30 0.08 -0.36 -0.69 0.00 0.00 174.62 173.35 2grg s PHE 20 N 2.42 2.99 0.66 4.92 0.40 0.19 0.26 117.98 129.82 2grg s PHE 20 Ca 0.18 -0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.37 2grg s PHE 20 Cb -0.15 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.00 2grg s PHE 20 CO 0.14 0.53 0.96 0.34 0.70 0.00 0.00 175.22 177.88 2grg s ASP 21 N -3.16 5.06 0.46 1.36 2.15 0.12 -1.85 116.67 120.81 2grg s ASP 21 Ca 0.30 0.46 0.31 0.00 0.43 0.00 0.00 52.55 54.05 2grg s ASP 21 Cb -0.09 -1.22 1.33 0.00 -0.30 0.00 0.00 42.92 42.64 2grg s ASP 21 CO 0.21 -1.41 1.92 1.05 -0.17 0.00 0.00 175.17 176.78 2grg h GLU 22 N -0.41 0.00 -0.34 4.34 4.11 -1.89 0.20 114.58 120.59 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 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2grg h GLU 22 CO 0.59 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.76 2grg n ASN 23 N -2.79 1.28 -1.69 3.06 3.02 -1.26 -4.87 115.26 112.01 2grg n ASN 23 Ca 0.01 -2.05 -0.16 0.00 -0.03 0.00 0.00 54.58 52.34 2grg n ASN 23 Cb 0.25 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.08 -0.58 -3.65 3.10 4.01 0.71 -4.98 117.16 115.86 2grg n TYR 24 Ca 0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.45 2grg n TYR 24 Cb 0.23 -3.18 -0.08 0.00 -0.31 0.00 0.00 39.34 36.01 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 -2.41 6.30 0.15 7.72 0.01 -1.24 -4.81 114.94 120.66 2grg s ASN 25 Ca 0.00 0.34 -0.31 0.00 -0.71 0.00 0.00 52.86 52.17 2grg s ASN 25 Cb 0.00 -2.13 -0.10 0.00 0.41 0.00 0.00 41.25 39.43 2grg s ASN 25 CO 0.00 0.14 1.67 -0.22 -1.51 0.00 0.00 177.10 177.18 2grg s LEU 26 N 0.43 4.37 -0.11 0.60 2.96 -1.26 0.13 118.68 125.80 2grg s LEU 26 Ca 0.11 2.69 -0.09 0.00 -0.22 0.00 0.00 54.13 56.63 2grg s LEU 26 Cb -0.12 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2grg s LEU 26 CO 0.00 -0.91 -0.20 0.18 -1.32 0.00 0.00 176.35 174.11 2grg n LEU 27 N 4.53 1.28 -4.07 -0.68 4.77 0.14 -4.88 117.00 118.10 2grg n LEU 27 Ca 0.15 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 2grg n LEU 27 Cb 0.38 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 2grg n LEU 27 CO 0.63 -0.02 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.60 2grg s ASP 28 N -6.20 1.32 -0.15 -1.43 2.15 -0.65 -4.99 116.67 106.73 2grg s ASP 28 Ca -0.19 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2grg s ASP 28 Cb 0.06 -0.13 0.02 0.00 -0.30 0.00 0.00 42.92 42.57 2grg s ASP 28 CO 0.25 0.11 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.34 2grg s THR 29 N -0.35 1.61 0.05 1.71 2.01 -1.26 -0.34 115.64 119.07 2grg s THR 29 Ca 0.04 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2grg s THR 29 Cb -0.05 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 2grg s THR 29 CO -0.00 0.45 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.83 2grg s SER 30 N 1.47 1.23 0.24 3.53 0.01 -0.26 -4.84 113.70 115.07 2grg s SER 30 Ca 0.05 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2grg s SER 30 Cb -0.13 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2grg s SER 30 CO -0.11 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2grg n GLY 31 N 1.48 -0.22 0.20 3.44 0.00 -1.26 -0.18 105.19 108.65 2grg n GLY 31 Ca -0.21 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.39 -2.29 116.25 116.25 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 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 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2grg n ALA 33 N -1.87 1.13 0.05 1.67 0.00 -1.20 -1.31 120.51 118.98 2grg n ALA 33 Ca -0.01 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 2grg n ALA 33 Cb 0.13 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.33 2grg n ALA 33 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2grg h LYS 34 N 0.00 0.40 0.00 0.00 1.57 -1.61 -3.23 116.57 113.70 2grg h LYS 34 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2grg h LYS 34 Cb 0.05 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2grg h LYS 34 CO 0.00 0.92 -1.26 1.33 -0.57 0.00 0.00 179.45 179.87 2grg n VAL 35 N -3.87 0.29 -2.76 0.50 0.24 -0.43 -4.88 118.33 107.43 2grg n VAL 35 Ca -0.04 -0.42 -0.36 0.00 -2.04 0.00 0.00 64.34 61.49 2grg n VAL 35 Cb 0.67 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 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 -3.34 4.19 0.55 1.34 1.01 -0.90 -5.06 121.20 119.00 2grg s ILE 36 Ca -0.01 1.65 -0.10 0.00 0.00 0.00 0.00 60.65 62.19 2grg s ILE 36 Cb 0.13 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2grg s ILE 36 CO 0.82 -0.02 0.93 -1.83 0.00 0.00 0.00 174.94 174.85 2grg s GLU 37 N -2.46 3.63 0.00 2.79 -1.05 -1.26 -4.90 118.70 115.46 2grg s GLU 37 Ca 0.55 0.58 0.11 0.00 -0.15 0.00 0.00 54.97 56.06 2grg s GLU 37 Cb -0.16 -2.20 0.12 0.00 -0.44 0.00 0.00 34.13 31.44 2grg s GLU 37 CO 0.21 -0.39 0.91 1.63 0.95 0.00 0.00 175.26 178.57 2grg n LYS 38 N -2.37 0.85 -0.02 -4.83 4.01 -1.26 -4.85 118.16 109.70 2grg n LYS 38 Ca 0.04 -1.28 -0.06 0.00 -0.51 0.00 0.00 58.31 56.50 2grg n LYS 38 Cb 0.54 -1.22 -0.04 0.00 -0.51 0.00 0.00 35.03 33.80 2grg n LYS 38 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2grg h SER 39 N 2.17 -0.75 -0.14 4.39 0.02 -2.04 -2.94 113.55 114.26 2grg h SER 39 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2grg h SER 39 Cb 0.50 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2grg h SER 39 CO 0.00 -0.20 0.00 -0.81 -1.14 0.00 0.00 176.83 174.68 2grg n PRO 40 N -3.79 1.98 -0.06 3.45 -0.04 -1.26 -4.37 135.00 130.90 2grg n PRO 40 Ca -0.02 -1.45 -0.14 0.00 -0.04 0.00 0.00 63.50 61.84 2grg n PRO 40 Cb 0.16 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 3.17 1.28 -0.72 0.52 2.04 -1.85 -2.97 117.51 118.96 2grg h ILE 41 Ca 0.00 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.10 2grg h ILE 41 Cb 0.69 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 2grg h ILE 41 CO 0.00 0.57 0.47 0.00 0.00 0.00 0.00 178.15 179.20 2grg h ALA 42 N 0.71 0.92 -0.62 1.87 0.00 -1.76 0.21 119.26 120.58 2grg h ALA 42 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2grg h ALA 42 Cb 1.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2grg h ALA 42 CO 0.13 0.35 0.20 1.49 0.00 0.00 0.00 179.25 181.42 2grg h GLU 43 N 0.98 0.94 0.00 0.00 4.57 -1.85 -2.36 114.58 116.87 2grg h GLU 43 Ca 0.26 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 2grg h GLU 43 Cb -0.10 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 2grg h GLU 43 CO -0.06 0.80 -0.63 0.82 -1.18 0.00 0.00 179.01 178.76 2grg h ILE 44 N 0.91 1.19 -0.39 2.32 1.08 -1.15 -2.84 117.51 118.63 2grg h ILE 44 Ca 0.21 -2.41 -0.01 0.00 -0.39 0.00 0.00 64.86 62.26 2grg h ILE 44 Cb 0.25 2.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 2grg h ILE 44 CO -0.01 0.62 0.19 0.40 -0.69 0.00 0.00 178.15 178.66 2grg h ILE 45 N 0.00 1.17 -0.43 -0.67 2.04 -0.09 0.35 117.51 119.88 2grg h ILE 45 Ca -0.01 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 2grg h ILE 45 Cb 1.35 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2grg h ILE 45 CO 0.08 0.18 0.00 0.08 0.00 0.00 0.00 178.15 178.49 2grg h ARG 46 N 0.49 0.76 -0.43 2.37 0.11 -1.51 0.28 114.38 116.44 2grg h ARG 46 Ca 0.13 -0.24 0.02 0.00 0.10 0.00 0.00 59.98 59.99 2grg h ARG 46 Cb 0.11 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.09 2grg h ARG 46 CO -0.02 0.83 0.26 0.87 0.10 0.00 0.00 179.97 182.01 2grg h LYS 47 N 0.60 0.50 0.00 0.08 1.57 -1.26 -1.60 116.57 116.46 2grg h LYS 47 Ca 0.12 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2grg h LYS 47 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2grg h LYS 47 CO 0.02 0.33 -0.28 0.77 -0.57 0.00 0.00 179.45 179.73 2grg h SER 48 N 0.52 0.00 -0.81 0.86 0.02 -0.10 -2.19 113.55 111.84 2grg h SER 48 Ca 0.17 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2grg h SER 48 Cb 0.01 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2grg h SER 48 CO -0.08 0.28 0.54 -1.13 -1.14 0.00 0.00 176.83 175.30 2grg h ASN 49 N 0.00 0.91 0.88 3.07 -1.24 0.57 0.28 115.58 120.05 2grg h ASN 49 Ca -0.00 -0.02 -0.22 0.00 0.71 0.00 0.00 56.30 56.77 2grg h ASN 49 Cb 0.72 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 2grg h ASN 49 CO 0.04 0.65 -1.01 0.00 -1.29 0.00 0.00 177.43 175.82 2grg h ALA 50 N 1.50 0.36 0.00 1.57 0.00 -1.19 -3.37 119.26 118.13 2grg h ALA 50 Ca 0.31 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2grg h ALA 50 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2grg h ALA 50 CO -0.07 1.15 -0.10 0.93 0.00 0.00 0.00 179.25 181.15 2grg h GLU 51 N 0.02 0.07 -6.13 0.00 4.39 -0.72 -3.48 114.58 108.74 2grg h GLU 51 Ca -0.03 -0.08 -0.51 0.00 0.34 0.00 0.00 59.36 59.08 2grg h GLU 51 Cb 1.74 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.38 2grg h GLU 51 CO 0.14 0.85 -0.39 -0.48 -1.16 0.00 0.00 179.01 177.98 2grg s LEU 52 N -8.56 3.32 0.00 1.33 0.05 0.92 -5.08 118.68 110.66 2grg s LEU 52 Ca -0.17 -0.81 0.00 0.00 0.05 0.00 0.00 54.13 53.20 2grg s LEU 52 Cb -0.00 -1.93 0.00 0.00 -2.05 0.00 0.00 46.19 42.20 2grg s LEU 52 CO 0.71 -0.67 0.00 0.61 -0.55 0.00 0.00 176.35 176.45 2grg n GLY 53 N -1.53 0.25 0.84 -3.48 0.00 -1.26 -4.76 105.19 95.25 2grg n GLY 53 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.84 2.36 -3.92 1.61 0.00 -1.26 -3.72 116.66 110.89 2grg n ARG 54 Ca 0.00 -2.05 -0.21 0.00 -0.00 0.00 0.00 57.85 55.59 2grg n ARG 54 Cb 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 32.46 31.07 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 -1.09 4.09 -0.43 6.15 2.01 -1.26 -3.84 118.68 124.30 2grg s LEU 55 Ca 0.29 -0.09 -0.14 0.00 0.01 0.00 0.00 54.13 54.20 2grg s LEU 55 Cb 0.16 -2.66 0.05 0.00 0.01 0.00 0.00 46.19 43.75 2grg s LEU 55 CO 0.22 -0.14 0.32 -0.83 1.01 0.00 0.00 176.35 176.93 2grg s GLY 56 N -3.97 2.01 -0.07 -3.19 0.00 0.12 -4.61 107.32 97.61 2grg s GLY 56 Ca 0.36 -1.97 -0.25 0.00 0.00 0.00 0.00 44.72 42.86 2grg s GLY 56 CO 0.28 0.98 0.76 -0.47 0.00 0.00 0.00 173.10 174.64 2grg s TYR 57 N 1.60 3.57 -0.20 1.90 5.04 -1.13 -2.74 117.35 125.39 2grg s TYR 57 Ca 0.04 1.31 -0.29 0.00 -2.44 0.00 0.00 57.07 55.69 2grg s TYR 57 Cb -0.22 -2.88 -0.04 0.00 0.35 0.00 0.00 41.96 39.17 2grg s TYR 57 CO 0.07 0.03 1.84 -1.12 -1.34 0.00 0.00 175.55 175.03 2grg s SER 58 N 0.88 6.09 -0.19 4.32 0.01 -1.26 -0.76 113.70 122.80 2grg s SER 58 Ca 0.40 1.79 0.14 0.00 1.31 0.00 0.00 55.95 59.58 2grg s SER 58 Cb -0.18 -2.53 -0.21 0.00 0.21 0.00 0.00 66.02 63.31 2grg s SER 58 CO 0.19 -1.47 0.02 1.33 0.41 0.00 0.00 173.24 173.72 2grg n VAL 59 N 6.77 1.25 -3.70 3.43 0.24 0.87 -4.87 118.33 122.32 2grg n VAL 59 Ca 0.22 -0.73 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 2grg n VAL 59 Cb 0.45 -0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.44 1.44 -0.35 6.34 5.04 -1.05 -4.92 117.35 121.42 2grg s TYR 60 Ca -0.12 -1.57 -0.10 0.00 -2.44 0.00 0.00 57.07 52.83 2grg s TYR 60 Cb 0.06 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.82 2grg s TYR 60 CO 0.71 -0.87 0.18 -2.00 -1.34 0.00 0.00 175.55 172.24 2grg s GLU 61 N 1.71 3.04 0.37 4.97 2.12 -1.26 0.74 118.70 130.39 2grg s GLU 61 Ca 0.09 -0.93 0.08 0.00 0.36 0.00 0.00 54.97 54.58 2grg s GLU 61 Cb -0.17 -3.66 -0.06 0.00 0.26 0.00 0.00 34.13 30.50 2grg s GLU 61 CO -0.27 -0.58 0.02 0.34 -0.54 0.00 0.00 175.26 174.22 2grg s ASP 62 N 1.58 4.04 0.53 -1.70 2.15 0.05 -5.02 116.67 118.30 2grg s ASP 62 Ca 0.03 -1.16 0.31 0.00 0.43 0.00 0.00 52.55 52.16 2grg s ASP 62 Cb -0.18 -0.45 1.35 0.00 -0.30 0.00 0.00 42.92 43.34 2grg s ASP 62 CO 0.06 -0.34 1.99 0.00 -0.17 0.00 0.00 175.17 176.71 2grg h ALA 63 N 1.78 1.05 0.00 3.66 0.00 -2.03 -3.25 119.26 120.47 2grg h ALA 63 Ca -0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2grg h ALA 63 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2grg h ALA 63 CO 0.72 0.10 -0.38 1.96 0.00 0.00 0.00 179.25 181.65 2grg h GLN 64 N 0.00 0.00 -4.59 0.00 4.20 -1.98 -3.49 115.11 109.25 2grg h GLN 64 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 2grg h GLN 64 Cb 0.50 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.14 2grg h GLN 64 CO 0.01 0.12 -0.65 0.71 -0.67 0.00 0.00 178.83 178.35 2grg s TYR 65 N -2.03 1.05 -0.10 2.96 1.51 -1.23 -4.08 117.35 115.43 2grg s TYR 65 Ca -0.11 -1.18 0.00 0.00 -1.01 0.00 0.00 57.07 54.77 2grg s TYR 65 Cb 0.01 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2grg s TYR 65 CO 0.20 -0.42 -0.09 0.42 -1.11 0.00 0.00 175.55 174.55 2grg s ILE 66 N -3.92 1.05 0.00 2.71 1.01 0.11 -0.77 121.20 121.39 2grg s ILE 66 Ca 0.27 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 2grg s ILE 66 Cb 0.07 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 2grg s ILE 66 CO 0.04 0.36 0.36 -0.83 0.00 0.00 0.00 174.94 174.88 2grg s GLY 67 N 1.43 2.39 -0.06 6.18 0.00 0.23 -0.15 107.32 117.34 2grg s GLY 67 Ca -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2grg s GLY 67 CO -0.05 -0.02 -0.16 0.30 0.00 0.00 0.00 173.10 173.17 2grg s HIS 68 N -1.16 1.73 0.17 1.90 0.09 0.46 -0.09 115.29 118.39 2grg s HIS 68 Ca 0.25 -0.62 -0.23 0.00 -0.00 0.00 0.00 55.06 54.47 2grg s HIS 68 Cb -0.15 -1.21 -0.08 0.00 -0.00 0.00 0.00 32.58 31.14 2grg s HIS 68 CO 0.13 -0.27 0.73 0.00 -0.00 0.00 0.00 174.74 175.34 2grg s ALA 69 N 0.41 3.45 0.02 -1.40 0.00 0.06 -0.17 121.76 124.15 2grg s ALA 69 Ca -0.12 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2grg s ALA 69 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2grg s ALA 69 CO 0.04 0.32 -0.11 -0.06 0.00 0.00 0.00 175.76 175.95 2grg s PHE 70 N -1.27 0.99 -0.42 0.00 0.40 0.64 -2.82 117.98 115.50 2grg s PHE 70 Ca 0.37 -0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 56.15 2grg s PHE 70 Cb -0.20 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.75 2grg s PHE 70 CO 0.23 0.00 0.87 0.15 0.70 0.00 0.00 175.22 177.18 2grg s LYS 71 N -0.91 3.62 0.32 0.44 3.01 -1.24 -1.95 119.74 123.02 2grg s LYS 71 Ca 0.00 0.23 0.04 0.00 -1.01 0.00 0.00 55.97 55.23 2grg s LYS 71 Cb -0.07 -3.88 0.04 0.00 -1.01 0.00 0.00 37.83 32.91 2grg s LYS 71 CO 0.01 -1.07 0.34 1.63 0.51 0.00 0.00 175.35 176.76 2grg n LYS 72 N 6.86 0.91 -1.77 1.68 4.76 0.89 -4.88 118.16 126.61 2grg n LYS 72 Ca 0.05 -1.87 -0.19 0.00 -2.87 0.00 0.00 58.31 53.44 2grg n LYS 72 Cb 0.48 0.05 -0.06 0.00 -1.84 0.00 0.00 35.03 33.66 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 -2.42 1.08 0.00 7.82 0.00 -1.26 -2.62 121.76 124.36 2grg s ALA 73 Ca 0.25 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2grg s ALA 73 Cb -0.02 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2grg s ALA 73 CO 0.16 -5.49 0.00 0.41 0.00 0.00 0.00 175.76 170.85 2grg n GLY 74 N 6.83 0.42 3.45 0.00 0.00 -1.26 -4.97 105.19 109.65 2grg n GLY 74 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.93 0.62 -0.13 1.61 4.02 -1.08 -4.47 115.29 113.94 2grg s HIS 75 Ca 0.00 -0.94 0.01 0.00 1.02 0.00 0.00 55.06 55.15 2grg s HIS 75 Cb 0.00 -0.07 -0.01 0.00 -1.02 0.00 0.00 32.58 31.48 2grg s HIS 75 CO 0.00 -0.86 -0.17 -0.06 1.02 0.00 0.00 174.74 174.67 2grg s PHE 76 N -4.06 2.73 -0.04 1.40 0.08 -0.77 -0.08 117.98 117.24 2grg s PHE 76 Ca 0.27 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.45 2grg s PHE 76 Cb 0.02 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2grg s PHE 76 CO 0.09 -0.37 -0.13 0.42 -0.10 0.00 0.00 175.22 175.13 2grg s ILE 77 N 0.51 1.13 -0.30 0.64 1.01 -0.83 0.55 121.20 123.91 2grg s ILE 77 Ca -0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 2grg s ILE 77 Cb -0.16 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2grg s ILE 77 CO 0.04 0.33 0.11 -0.69 0.00 0.00 0.00 174.94 174.74 2grg s VAL 78 N 0.13 4.23 -0.27 2.92 1.01 0.55 -0.26 120.40 128.71 2grg s VAL 78 Ca -0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2grg s VAL 78 Cb -0.10 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2grg s VAL 78 CO 0.01 0.07 0.37 -0.31 0.00 0.00 0.00 175.10 175.24 2grg s TYR 79 N 1.55 3.24 -0.30 5.22 1.51 0.76 -0.22 117.35 129.11 2grg s TYR 79 Ca 0.03 0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 56.32 2grg s TYR 79 Cb -0.17 -2.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 2grg s TYR 79 CO 0.04 -0.23 0.44 -0.06 -1.11 0.00 0.00 175.55 174.63 2grg s PHE 80 N 2.06 3.23 -0.01 2.71 0.40 0.20 -0.41 117.98 126.16 2grg s PHE 80 Ca 0.15 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 2grg s PHE 80 Cb -0.16 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 2grg s PHE 80 CO 0.10 -0.35 0.05 0.95 0.70 0.00 0.00 175.22 176.68 2grg s THR 81 N 2.20 4.55 -1.15 0.64 -4.23 0.79 0.24 115.64 118.68 2grg s THR 81 Ca 0.17 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.15 2grg s THR 81 Cb -0.16 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.55 2grg s THR 81 CO 0.11 0.37 2.46 -0.81 -0.54 0.00 0.00 174.62 176.21 2grg n PRO 82 N 1.28 2.68 -3.97 3.99 -0.04 -1.26 0.05 135.00 137.72 2grg n PRO 82 Ca -0.14 -1.71 -0.29 0.00 -0.04 0.00 0.00 63.50 61.32 2grg n PRO 82 Cb 0.53 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.90 -2.33 -1.79 0.54 5.02 -1.26 -4.80 118.16 117.44 2grg n LYS 83 Ca 0.57 0.34 -0.41 0.00 -2.02 0.00 0.00 58.31 56.79 2grg n LYS 83 Cb 0.19 -4.14 -0.03 0.00 -0.02 0.00 0.00 35.03 31.03 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 -4.15 5.40 0.00 4.39 3.84 -1.26 -4.77 114.94 118.39 2grg s ASN 84 Ca 0.12 1.33 0.00 0.00 0.21 0.00 0.00 52.86 54.53 2grg s ASN 84 Cb -0.05 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2grg s ASN 84 CO 0.91 -2.09 0.78 2.29 -2.79 0.00 0.00 177.10 176.20 2grg n LYS 85 N 8.74 1.57 -3.94 0.43 2.85 -1.26 -5.04 118.16 121.51 2grg n LYS 85 Ca 0.27 -1.09 -0.36 0.00 -1.05 0.00 0.00 58.31 56.09 2grg n LYS 85 Cb 0.48 -0.93 -0.06 0.00 -0.65 0.00 0.00 35.03 33.87 2grg n LYS 85 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2grg s ASN 86 N -0.61 6.24 -0.64 -5.58 4.22 -1.26 -4.62 114.94 112.70 2grg s ASN 86 Ca 0.00 0.40 -0.08 0.00 -2.14 0.00 0.00 52.86 51.04 2grg s ASN 86 Cb 0.00 -1.98 0.01 0.00 1.28 0.00 0.00 41.25 40.57 2grg s ASN 86 CO 0.00 0.37 0.65 0.54 -2.04 0.00 0.00 177.10 176.63 2grg n ARG 87 N 1.75 -1.72 -0.70 3.55 5.12 -1.26 -4.94 116.66 118.46 2grg n ARG 87 Ca -0.18 1.58 -0.01 0.00 -1.93 0.00 0.00 57.85 57.31 2grg n ARG 87 Cb 0.54 -4.95 0.21 0.00 -1.16 0.00 0.00 32.46 27.10 2grg n ARG 87 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2grg n GLU 88 N -1.32 2.00 -0.79 5.56 -0.00 -1.26 -4.79 120.64 120.05 2grg n GLU 88 Ca -0.02 -3.10 -0.07 0.00 -0.00 0.00 0.00 57.16 53.97 2grg n GLU 88 Cb 0.53 -1.80 -0.09 0.00 -0.00 0.00 0.00 31.44 30.08 2grg n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2grg n GLY 89 N -1.03 2.84 2.86 -1.84 0.00 -1.26 -4.71 105.19 102.06 2grg n GLY 89 Ca 0.30 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 0.39 -0.16 -0.16 1.61 0.11 -1.26 -5.15 120.40 115.78 2grg s VAL 90 Ca 0.36 0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 59.64 2grg s VAL 90 Cb 0.18 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 2grg s VAL 90 CO -0.01 0.12 0.03 0.68 -3.33 0.00 0.00 175.10 172.59 2grg s VAL 91 N 1.80 4.52 -0.20 2.04 -7.23 -1.26 -5.08 120.40 115.00 2grg s VAL 91 Ca -0.02 -0.14 -0.22 0.00 -1.81 0.00 0.00 61.98 59.79 2grg s VAL 91 Cb -0.12 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2grg s VAL 91 CO -0.06 0.50 0.68 -2.16 -0.31 0.00 0.00 175.10 173.75 2grg s PRO 92 N 0.11 4.22 0.39 4.82 0.04 -1.26 -5.05 135.00 138.28 2grg s PRO 92 Ca 0.03 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 61.52 2grg s PRO 92 Cb -0.13 -3.58 -0.11 0.00 0.04 0.00 0.00 34.50 30.72 2grg s PRO 92 CO 0.01 -0.28 1.35 -2.30 0.04 0.00 0.00 177.00 175.82 2grg n PRO 93 N 5.16 2.19 0.00 0.56 -0.02 -1.26 -4.88 135.00 136.77 2grg n PRO 93 Ca 0.00 0.77 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 2grg n PRO 93 Cb 0.49 -2.46 0.31 0.00 -0.02 0.00 0.00 33.50 31.82 2grg n PRO 93 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2grg n VAL 94 N 0.09 1.03 0.00 -1.45 0.24 -1.26 -4.94 118.33 112.03 2grg n VAL 94 Ca 0.05 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 2grg n VAL 94 Cb 0.39 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.05 3.06 1.68 7.63 0.00 -1.26 -4.81 105.19 111.44 2grg n GLY 95 Ca 0.03 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2grg n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2grg n ILE 96 N -0.22 2.30 -2.03 -0.61 5.41 -1.26 -4.88 119.36 118.07 2grg n ILE 96 Ca 0.00 -1.16 -0.36 0.00 1.00 0.00 0.00 62.75 62.23 2grg n ILE 96 Cb 0.00 -1.02 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 2grg n ILE 96 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2grg s THR 97 N -1.75 3.37 0.00 1.39 2.01 -1.26 -5.34 115.64 114.06 2grg s THR 97 Ca 0.27 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2grg s THR 97 Cb 0.22 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2grg s THR 97 CO 0.03 -0.90 0.18 0.59 -0.69 0.00 0.00 174.62 173.83