#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 0.69 -0.37 3.17 2.47 -1.26 -4.99 119.74 119.44 2grg s LYS 2 Ca 0.00 -1.25 0.06 0.00 -1.56 0.00 0.00 55.97 53.21 2grg s LYS 2 Cb 0.00 -1.70 0.45 0.00 -1.46 0.00 0.00 37.83 35.12 2grg s LYS 2 CO 0.00 -1.10 1.26 0.43 0.16 0.00 0.00 175.35 176.10 2grg n SER 3 N 4.39 5.17 -4.58 1.43 7.64 -1.26 -5.00 113.62 121.42 2grg n SER 3 Ca 0.04 -3.75 -0.42 0.00 1.01 0.00 0.00 58.87 55.75 2grg n SER 3 Cb 0.39 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 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 -3.37 6.33 -0.10 6.43 0.01 -1.26 -4.88 113.70 116.86 2grg s SER 4 Ca 0.51 0.22 0.01 0.00 1.31 0.00 0.00 55.95 58.01 2grg s SER 4 Cb 0.42 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 2grg s SER 4 CO -0.03 -1.55 -0.13 -0.63 0.41 0.00 0.00 173.24 171.30 2grg s ILE 5 N 5.36 3.07 0.71 1.44 1.01 -1.26 -4.60 121.20 126.93 2grg s ILE 5 Ca 0.48 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 2grg s ILE 5 Cb -0.09 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2grg s ILE 5 CO 0.26 0.55 1.14 -2.16 0.00 0.00 0.00 174.94 174.72 2grg s PRO 6 N -0.03 2.46 0.44 2.79 0.04 -1.26 -1.99 135.00 137.46 2grg s PRO 6 Ca -0.03 1.47 0.19 0.00 0.04 0.00 0.00 61.00 62.67 2grg s PRO 6 Cb -0.14 -1.90 1.05 0.00 0.04 0.00 0.00 34.50 33.55 2grg s PRO 6 CO 0.04 -1.53 1.94 0.97 0.04 0.00 0.00 177.00 178.46 2grg h ILE 7 N -0.29 0.94 0.00 0.56 6.09 -1.93 -1.83 117.51 121.04 2grg h ILE 7 Ca -0.46 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.15 2grg h ILE 7 Cb 1.26 1.51 0.00 0.00 0.47 0.00 0.00 36.82 40.06 2grg h ILE 7 CO 0.52 0.23 0.00 0.00 -3.07 0.00 0.00 178.15 175.83 2grg h THR 8 N 0.00 0.00 0.00 2.19 1.03 -1.94 0.15 112.91 114.34 2grg h THR 8 Ca -0.00 -0.10 -0.19 0.00 -0.01 0.00 0.00 66.41 66.11 2grg h THR 8 Cb 0.49 1.09 -0.03 0.00 -1.07 0.00 0.00 68.15 68.63 2grg h THR 8 CO 0.03 0.00 -1.33 -0.62 -0.01 0.00 0.00 175.52 173.59 2grg n GLU 9 N -3.07 0.54 -0.17 0.00 -0.58 -0.73 -4.60 120.64 112.03 2grg n GLU 9 Ca -0.02 0.43 -0.05 0.00 -0.42 0.00 0.00 57.16 57.10 2grg n GLU 9 Cb 0.11 -1.62 0.13 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.24 0.24 2.62 2.07 -1.06 -2.46 116.25 117.91 2grg h VAL 10 Ca -0.29 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2grg h VAL 10 Cb 1.12 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2grg h VAL 10 CO -0.17 0.35 -0.31 0.25 0.02 0.00 0.00 177.57 177.71 2grg h LEU 11 N 0.88 -0.86 -1.32 2.57 5.85 -0.98 0.78 115.31 122.23 2grg h LEU 11 Ca 0.18 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2grg h LEU 11 Cb 0.37 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2grg h LEU 11 CO 0.01 -0.38 -0.24 1.55 -0.34 0.00 0.00 178.44 179.04 2grg h PRO 12 N -0.57 0.00 -0.34 5.25 0.13 -1.79 -2.81 132.00 131.88 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 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2grg h PRO 12 CO -0.07 0.24 0.00 0.54 -0.23 0.00 0.00 178.00 178.48 2grg n ARG 13 N -3.54 1.97 -3.08 0.86 1.74 -0.93 -4.89 116.66 108.78 2grg n ARG 13 Ca -0.01 -1.48 -0.26 0.00 -0.77 0.00 0.00 57.85 55.34 2grg n ARG 13 Cb 0.39 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.56 3.57 -0.24 7.54 0.00 0.25 -4.53 121.76 126.78 2grg s ALA 14 Ca 0.31 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2grg s ALA 14 Cb 0.17 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.97 2grg s ALA 14 CO 0.23 -0.12 0.47 1.33 0.00 0.00 0.00 175.76 177.68 2grg n VAL 15 N -1.86 0.00 -3.55 0.00 0.24 0.11 -4.97 118.33 108.30 2grg n VAL 15 Ca -0.02 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 2grg n VAL 15 Cb 0.55 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.40 -0.44 -0.20 7.63 0.00 -0.94 -1.15 107.32 111.82 2grg s GLY 16 Ca 0.02 0.54 -0.20 0.00 0.00 0.00 0.00 44.72 45.09 2grg s GLY 16 CO 0.04 0.17 0.55 -1.35 0.00 0.00 0.00 173.10 172.52 2grg s SER 17 N -2.70 -0.57 -0.20 1.64 1.04 0.24 0.20 113.70 113.36 2grg s SER 17 Ca 0.05 1.08 -0.01 0.00 0.48 0.00 0.00 55.95 57.55 2grg s SER 17 Cb -0.02 1.09 0.01 0.00 0.10 0.00 0.00 66.02 67.21 2grg s SER 17 CO -0.07 -0.21 -0.13 -0.76 0.98 0.00 0.00 173.24 173.05 2grg s LEU 18 N 0.21 2.47 -0.27 2.42 1.43 0.90 -0.79 118.68 125.04 2grg s LEU 18 Ca -0.01 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 2grg s LEU 18 Cb -0.04 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2grg s LEU 18 CO 0.01 -0.00 0.42 -0.89 0.23 0.00 0.00 176.35 176.12 2grg s THR 19 N 1.35 5.14 0.21 5.49 2.01 0.95 -0.30 115.64 130.48 2grg s THR 19 Ca 0.05 0.62 0.09 0.00 0.31 0.00 0.00 61.69 62.76 2grg s THR 19 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2grg s THR 19 CO -0.08 0.11 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.54 2grg s PHE 20 N 2.15 2.67 0.44 4.92 0.40 0.16 0.79 117.98 129.51 2grg s PHE 20 Ca 0.17 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2grg s PHE 20 Cb -0.16 -1.26 0.08 0.00 0.51 0.00 0.00 43.02 42.20 2grg s PHE 20 CO 0.10 0.56 0.60 -0.40 0.70 0.00 0.00 175.22 176.78 2grg n ASP 21 N -0.30 0.94 0.27 1.36 5.75 -0.40 -2.19 116.55 121.97 2grg n ASP 21 Ca -0.09 -1.76 0.14 0.00 -0.01 0.00 0.00 54.79 53.07 2grg n ASP 21 Cb 0.57 -0.38 0.77 0.00 -1.03 0.00 0.00 41.12 41.05 2grg n ASP 21 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2grg h GLU 22 N 0.00 0.00 -0.17 0.11 9.09 -1.92 0.82 114.58 122.51 2grg h GLU 22 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 2grg h GLU 22 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 2grg h GLU 22 CO 0.23 0.10 0.00 0.09 0.05 0.00 0.00 179.01 179.47 2grg n ASN 23 N -3.55 1.46 -1.99 3.06 3.02 -1.26 -4.92 115.26 111.09 2grg n ASN 23 Ca -0.02 -1.73 -0.15 0.00 -0.03 0.00 0.00 54.58 52.66 2grg n ASN 23 Cb 0.23 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.21 -1.21 -3.95 3.10 4.01 0.28 -5.02 117.16 114.58 2grg n TYR 24 Ca 0.15 0.30 -0.33 0.00 -0.16 0.00 0.00 57.90 57.86 2grg n TYR 24 Cb 0.29 -3.26 -0.05 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 -2.76 6.20 0.01 7.72 0.01 -1.26 -4.78 114.94 120.08 2grg s ASN 25 Ca 0.17 0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 2grg s ASN 25 Cb -0.08 -1.90 -0.06 0.00 0.41 0.00 0.00 41.25 39.62 2grg s ASN 25 CO 0.21 0.25 1.53 -0.22 -1.51 0.00 0.00 177.10 177.36 2grg s LEU 26 N -1.99 4.33 -0.21 0.60 2.96 -1.26 -1.27 118.68 121.84 2grg s LEU 26 Ca 0.27 2.24 -0.09 0.00 -0.22 0.00 0.00 54.13 56.34 2grg s LEU 26 Cb -0.13 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.91 2grg s LEU 26 CO 0.19 -0.82 -0.26 0.18 -1.32 0.00 0.00 176.35 174.33 2grg n LEU 27 N 5.82 1.73 -3.82 -0.68 4.77 0.24 -4.94 117.00 120.12 2grg n LEU 27 Ca 0.15 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 2grg n LEU 27 Cb 0.42 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 2grg n LEU 27 CO 0.61 0.50 -0.26 -0.62 -1.33 0.00 0.00 177.39 176.29 2grg s ASP 28 N -6.76 -0.09 -0.16 -1.43 2.15 -1.02 -4.99 116.67 104.38 2grg s ASP 28 Ca -0.29 0.19 0.01 0.00 0.43 0.00 0.00 52.55 52.89 2grg s ASP 28 Cb 0.11 0.17 0.02 0.00 -0.30 0.00 0.00 42.92 42.91 2grg s ASP 28 CO 0.39 -0.06 -0.19 -0.89 -0.17 0.00 0.00 175.17 174.24 2grg s THR 29 N 0.31 1.97 0.06 1.71 2.01 -1.26 -0.04 115.64 120.40 2grg s THR 29 Ca -0.02 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2grg s THR 29 Cb -0.03 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2grg s THR 29 CO -0.01 0.53 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.90 2grg s SER 30 N 1.18 1.30 0.34 3.53 0.01 0.03 -4.79 113.70 115.30 2grg s SER 30 Ca 0.01 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2grg s SER 30 Cb -0.14 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2grg s SER 30 CO -0.09 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2grg n GLY 31 N 1.21 0.65 0.25 3.44 0.00 -1.26 -0.59 105.19 108.90 2grg n GLY 31 Ca -0.21 -0.84 0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.47 -2.36 116.25 116.09 2grg h VAL 32 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2grg h VAL 32 Cb 0.00 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2grg h VAL 32 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2grg h ALA 33 N 2.05 1.00 0.00 1.67 0.00 -1.79 -0.61 119.26 121.58 2grg h ALA 33 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2grg h ALA 33 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2grg h ALA 33 CO 0.00 0.00 -0.55 0.87 0.00 0.00 0.00 179.25 179.57 2grg h LYS 34 N 0.00 0.00 0.00 0.00 1.57 -1.57 -3.27 116.57 113.30 2grg h LYS 34 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2grg h LYS 34 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2grg h LYS 34 CO 0.00 0.55 -1.99 1.33 -0.57 0.00 0.00 179.45 178.77 2grg n VAL 35 N -3.47 0.43 -2.23 0.50 0.24 -0.37 -4.94 118.33 108.49 2grg n VAL 35 Ca 0.00 -0.55 -0.38 0.00 -2.04 0.00 0.00 64.34 61.37 2grg n VAL 35 Cb 0.66 -0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.86 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 -3.00 3.02 0.35 1.34 1.01 -0.45 -4.99 121.20 118.48 2grg s ILE 36 Ca -0.08 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 2grg s ILE 36 Cb 0.10 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 2grg s ILE 36 CO 0.77 0.07 1.16 -1.83 0.00 0.00 0.00 174.94 175.11 2grg s GLU 37 N -2.35 4.30 0.34 2.79 -1.05 -1.26 -4.89 118.70 116.57 2grg s GLU 37 Ca 0.58 1.86 0.04 0.00 -0.15 0.00 0.00 54.97 57.30 2grg s GLU 37 Cb -0.32 -2.89 0.60 0.00 -0.44 0.00 0.00 34.13 31.08 2grg s GLU 37 CO 0.40 -0.11 1.88 0.87 0.95 0.00 0.00 175.26 179.25 2grg h LYS 38 N 3.12 0.54 -2.94 -4.83 6.56 -1.94 -3.48 116.57 113.59 2grg h LYS 38 Ca -0.48 -0.11 0.35 0.00 -1.06 0.00 0.00 60.65 59.35 2grg h LYS 38 Cb 1.22 -0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 32.70 2grg h LYS 38 CO 0.64 0.55 -0.56 0.43 -2.06 0.00 0.00 179.45 178.46 2grg n SER 39 N -4.29 -7.79 -1.50 0.86 7.64 -1.26 -3.60 113.62 103.68 2grg n SER 39 Ca 0.02 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2grg n SER 39 Cb 0.23 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 2grg n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2grg n PRO 40 N -3.99 0.94 -0.13 1.43 -0.04 -1.26 -4.52 135.00 127.43 2grg n PRO 40 Ca -0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2grg n PRO 40 Cb 0.60 -1.03 0.25 0.00 -0.04 0.00 0.00 33.50 33.28 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 1.01 1.19 -0.71 0.52 2.04 -1.93 -1.94 117.51 117.70 2grg h ILE 41 Ca 0.00 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.37 2grg h ILE 41 Cb 0.94 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2grg h ILE 41 CO 0.00 0.23 0.47 0.00 0.00 0.00 0.00 178.15 178.84 2grg h ALA 42 N 1.48 1.70 -0.59 1.87 0.00 -1.86 0.44 119.26 122.31 2grg h ALA 42 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2grg h ALA 42 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2grg h ALA 42 CO -0.03 0.19 0.05 1.49 0.00 0.00 0.00 179.25 180.96 2grg h GLU 43 N 0.75 0.98 0.00 0.00 4.57 -1.72 -2.64 114.58 116.51 2grg h GLU 43 Ca 0.30 -0.27 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 2grg h GLU 43 Cb 0.24 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2grg h GLU 43 CO -0.10 0.93 -0.70 0.82 -1.18 0.00 0.00 179.01 178.78 2grg h ILE 44 N 0.91 1.26 -0.19 2.32 1.08 -0.77 -2.86 117.51 119.27 2grg h ILE 44 Ca 0.18 -2.64 -0.01 0.00 -0.39 0.00 0.00 64.86 62.00 2grg h ILE 44 Cb 0.46 2.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 2grg h ILE 44 CO 0.02 0.69 0.08 0.40 -0.69 0.00 0.00 178.15 178.65 2grg h ILE 45 N 0.00 1.15 -0.77 -0.67 2.04 0.02 0.28 117.51 119.56 2grg h ILE 45 Ca -0.01 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 2grg h ILE 45 Cb 1.47 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 2grg h ILE 45 CO 0.09 0.14 0.27 0.08 0.00 0.00 0.00 178.15 178.73 2grg h ARG 46 N 0.16 1.18 -0.09 2.37 0.11 -1.52 0.18 114.38 116.77 2grg h ARG 46 Ca 0.06 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.91 2grg h ARG 46 Cb 0.15 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 2grg h ARG 46 CO -0.01 0.98 0.05 0.87 0.10 0.00 0.00 179.97 181.96 2grg h LYS 47 N 1.14 0.10 0.00 0.08 1.57 -1.24 -2.34 116.57 115.88 2grg h LYS 47 Ca 0.25 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2grg h LYS 47 Cb 0.28 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2grg h LYS 47 CO -0.01 0.06 -0.22 0.77 -0.57 0.00 0.00 179.45 179.48 2grg h SER 48 N 0.10 0.00 -0.40 0.86 0.02 -0.12 -1.33 113.55 112.68 2grg h SER 48 Ca 0.04 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2grg h SER 48 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2grg h SER 48 CO -0.02 0.22 0.03 -1.13 -1.14 0.00 0.00 176.83 174.79 2grg h ASN 49 N 0.00 0.73 1.23 3.07 -1.24 -0.13 -0.11 115.58 119.13 2grg h ASN 49 Ca -0.00 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.85 2grg h ASN 49 Cb 0.53 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.38 2grg h ASN 49 CO 0.03 0.78 -0.35 0.00 -1.29 0.00 0.00 177.43 176.60 2grg h ALA 50 N 1.31 0.78 0.18 1.57 0.00 -0.97 -3.34 119.26 118.80 2grg h ALA 50 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 2grg h ALA 50 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2grg h ALA 50 CO 0.01 0.00 -1.54 0.93 0.00 0.00 0.00 179.25 178.65 2grg h GLU 51 N 0.00 0.39 0.00 0.00 4.39 -0.59 -3.49 114.58 115.28 2grg h GLU 51 Ca 0.00 -0.67 -0.36 0.00 0.34 0.00 0.00 59.36 58.67 2grg h GLU 51 Cb 0.79 0.25 -0.08 0.00 -0.10 0.00 0.00 28.75 29.61 2grg h GLU 51 CO 0.00 1.32 -0.30 1.47 -1.16 0.00 0.00 179.01 180.34 2grg n LEU 52 N -3.74 0.00 0.00 1.33 -0.00 -0.12 -5.08 117.00 109.40 2grg n LEU 52 Ca -0.22 -2.04 0.00 0.00 -0.00 0.00 0.00 56.01 53.75 2grg n LEU 52 Cb 1.02 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 45.15 2grg n LEU 52 CO 0.51 -0.32 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 2grg n GLY 53 N 0.23 0.16 0.47 1.47 0.00 -1.26 -4.72 105.19 101.54 2grg n GLY 53 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.79 0.91 -2.48 1.61 3.00 -1.26 -4.20 116.66 112.45 2grg n ARG 54 Ca 0.00 -1.30 -0.24 0.00 -0.00 0.00 0.00 57.85 56.31 2grg n ARG 54 Cb 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 32.46 31.33 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 -0.93 3.00 -0.16 6.15 2.01 -1.26 -4.13 118.68 123.36 2grg s LEU 55 Ca 0.14 -0.07 -0.02 0.00 0.01 0.00 0.00 54.13 54.19 2grg s LEU 55 Cb 0.10 -2.44 -0.02 0.00 0.01 0.00 0.00 46.19 43.84 2grg s LEU 55 CO 0.14 -1.70 -0.07 -0.83 1.01 0.00 0.00 176.35 174.90 2grg s GLY 56 N -4.63 1.63 -0.16 -3.19 0.00 -0.84 -4.55 107.32 95.57 2grg s GLY 56 Ca 0.63 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 44.35 2grg s GLY 56 CO 0.44 0.01 0.09 -0.47 0.00 0.00 0.00 173.10 173.16 2grg s TYR 57 N 0.63 3.36 -0.36 1.90 5.04 -1.14 -4.06 117.35 122.71 2grg s TYR 57 Ca -0.04 0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 54.56 2grg s TYR 57 Cb -0.15 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 2grg s TYR 57 CO 0.03 0.35 1.80 -1.54 -1.34 0.00 0.00 175.55 174.85 2grg s SER 58 N -0.08 5.82 -0.21 4.32 1.04 -1.26 -0.52 113.70 122.81 2grg s SER 58 Ca 0.08 1.18 0.16 0.00 0.48 0.00 0.00 55.95 57.85 2grg s SER 58 Cb -0.12 -2.53 -0.24 0.00 0.10 0.00 0.00 66.02 63.24 2grg s SER 58 CO 0.01 -1.79 0.03 1.33 0.98 0.00 0.00 173.24 173.80 2grg n VAL 59 N 7.39 1.39 -3.71 5.02 0.24 0.49 -4.84 118.33 124.31 2grg n VAL 59 Ca 0.23 -0.81 -0.29 0.00 -2.04 0.00 0.00 64.34 61.43 2grg n VAL 59 Cb 0.47 -0.60 -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 -2.49 1.15 -0.35 6.34 5.04 -1.15 -4.95 117.35 120.93 2grg s TYR 60 Ca -0.13 -1.14 -0.10 0.00 -2.44 0.00 0.00 57.07 53.26 2grg s TYR 60 Cb 0.06 -1.22 0.02 0.00 0.35 0.00 0.00 41.96 41.17 2grg s TYR 60 CO 0.79 -0.72 0.17 -2.00 -1.34 0.00 0.00 175.55 172.45 2grg s GLU 61 N 1.81 2.96 0.39 4.97 2.12 -1.26 0.64 118.70 130.34 2grg s GLU 61 Ca 0.04 -0.97 0.08 0.00 0.36 0.00 0.00 54.97 54.47 2grg s GLU 61 Cb -0.17 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 2grg s GLU 61 CO -0.17 -0.60 0.24 0.34 -0.54 0.00 0.00 175.26 174.54 2grg s ASP 62 N 1.55 4.77 0.14 -1.70 2.15 0.42 -4.99 116.67 119.00 2grg s ASP 62 Ca 0.02 -0.84 0.20 0.00 0.43 0.00 0.00 52.55 52.36 2grg s ASP 62 Cb -0.18 -0.62 0.84 0.00 -0.30 0.00 0.00 42.92 42.65 2grg s ASP 62 CO 0.06 -0.50 1.63 0.00 -0.17 0.00 0.00 175.17 176.18 2grg n ALA 63 N -1.32 1.73 -0.06 3.66 0.00 -1.26 -3.78 120.51 119.48 2grg n ALA 63 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 2grg n ALA 63 Cb 0.62 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.90 0.38 -4.39 0.00 6.02 -1.26 -5.04 117.38 111.18 2grg n GLN 64 Ca 0.03 0.15 -0.20 0.00 -0.01 0.00 0.00 57.00 56.97 2grg n GLN 64 Cb 0.22 -1.15 -0.10 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.48 1.79 -0.08 1.08 2.02 -1.25 -3.71 117.35 114.72 2grg s TYR 65 Ca -0.21 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 55.64 2grg s TYR 65 Cb 0.03 -1.07 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2grg s TYR 65 CO 0.30 0.07 -0.09 0.42 -1.57 0.00 0.00 175.55 174.68 2grg s ILE 66 N -3.26 0.99 0.03 2.71 1.01 0.58 -0.43 121.20 122.82 2grg s ILE 66 Ca 0.31 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 2grg s ILE 66 Cb 0.06 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 2grg s ILE 66 CO 0.11 0.34 0.38 -0.83 0.00 0.00 0.00 174.94 174.95 2grg s GLY 67 N 1.11 2.39 -0.09 6.18 0.00 0.21 -0.49 107.32 116.64 2grg s GLY 67 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.35 2grg s GLY 67 CO -0.01 -0.03 -0.12 0.30 0.00 0.00 0.00 173.10 173.23 2grg s HIS 68 N -1.22 1.64 -0.15 1.90 0.09 0.67 -0.38 115.29 117.85 2grg s HIS 68 Ca 0.27 -0.71 -0.27 0.00 -0.00 0.00 0.00 55.06 54.35 2grg s HIS 68 Cb -0.15 -1.23 -0.01 0.00 -0.00 0.00 0.00 32.58 31.19 2grg s HIS 68 CO 0.15 -0.39 0.92 0.00 -0.00 0.00 0.00 174.74 175.41 2grg s ALA 69 N 0.98 3.50 -0.01 -1.40 0.00 0.32 -0.84 121.76 124.30 2grg s ALA 69 Ca -0.08 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2grg s ALA 69 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2grg s ALA 69 CO -0.00 -0.68 -0.20 -0.06 0.00 0.00 0.00 175.76 174.82 2grg s PHE 70 N 2.21 2.51 -0.13 0.00 0.40 0.48 -2.90 117.98 120.55 2grg s PHE 70 Ca 0.42 -0.30 -0.27 0.00 -0.60 0.00 0.00 56.93 56.19 2grg s PHE 70 Cb -0.17 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 2grg s PHE 70 CO 0.14 0.11 0.89 0.15 0.70 0.00 0.00 175.22 177.21 2grg s LYS 71 N -0.86 4.36 0.44 0.44 3.01 -1.26 -1.77 119.74 124.11 2grg s LYS 71 Ca 0.12 1.16 0.03 0.00 -1.01 0.00 0.00 55.97 56.26 2grg s LYS 71 Cb -0.10 -3.55 0.03 0.00 -1.01 0.00 0.00 37.83 33.20 2grg s LYS 71 CO 0.01 -0.28 0.26 1.63 0.51 0.00 0.00 175.35 177.48 2grg n LYS 72 N 4.98 0.86 -1.67 1.68 4.76 0.14 -4.92 118.16 123.99 2grg n LYS 72 Ca 0.06 -2.87 -0.20 0.00 -2.87 0.00 0.00 58.31 52.42 2grg n LYS 72 Cb 0.49 0.42 -0.06 0.00 -1.84 0.00 0.00 35.03 34.04 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 -2.66 1.07 0.00 7.82 0.00 -1.26 -2.62 121.76 124.11 2grg s ALA 73 Ca 0.20 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2grg s ALA 73 Cb -0.02 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2grg s ALA 73 CO 0.12 -5.42 0.00 0.41 0.00 0.00 0.00 175.76 170.87 2grg n GLY 74 N 6.65 0.36 3.29 0.00 0.00 -1.26 -4.94 105.19 109.29 2grg n GLY 74 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.89 1.25 -0.07 1.61 4.02 -1.08 -4.24 115.29 114.89 2grg s HIS 75 Ca 0.00 -1.39 0.02 0.00 1.02 0.00 0.00 55.06 54.71 2grg s HIS 75 Cb 0.00 -0.48 0.01 0.00 -1.02 0.00 0.00 32.58 31.09 2grg s HIS 75 CO 0.00 -0.79 -0.13 -0.06 1.02 0.00 0.00 174.74 174.78 2grg s PHE 76 N -3.82 1.52 -0.03 1.40 0.08 -0.93 0.27 117.98 116.47 2grg s PHE 76 Ca 0.37 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.86 2grg s PHE 76 Cb 0.04 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 2grg s PHE 76 CO 0.17 -0.30 -0.09 0.42 -0.10 0.00 0.00 175.22 175.32 2grg s ILE 77 N 0.72 0.79 -0.34 0.64 1.01 -0.73 0.38 121.20 123.67 2grg s ILE 77 Ca -0.13 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2grg s ILE 77 Cb -0.16 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2grg s ILE 77 CO 0.03 0.25 0.17 -0.69 0.00 0.00 0.00 174.94 174.70 2grg s VAL 78 N 0.27 4.53 -0.17 2.92 1.01 0.59 -0.39 120.40 129.15 2grg s VAL 78 Ca -0.04 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2grg s VAL 78 Cb -0.09 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2grg s VAL 78 CO 0.01 -0.06 0.38 -0.31 0.00 0.00 0.00 175.10 175.12 2grg s TYR 79 N 1.58 3.43 -0.26 5.22 1.51 -0.02 -0.07 117.35 128.74 2grg s TYR 79 Ca 0.03 0.66 -0.10 0.00 -1.01 0.00 0.00 57.07 56.65 2grg s TYR 79 Cb -0.18 -2.48 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 2grg s TYR 79 CO 0.06 0.10 0.16 -0.06 -1.11 0.00 0.00 175.55 174.69 2grg s PHE 80 N 0.93 3.24 0.25 2.71 0.40 0.13 -0.24 117.98 125.41 2grg s PHE 80 Ca 0.20 0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.71 2grg s PHE 80 Cb -0.14 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 2grg s PHE 80 CO 0.07 -0.08 -0.05 0.95 0.70 0.00 0.00 175.22 176.81 2grg s THR 81 N 1.41 3.27 -0.99 0.64 -4.23 0.36 0.09 115.64 116.18 2grg s THR 81 Ca 0.07 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 2grg s THR 81 Cb -0.15 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 2grg s THR 81 CO 0.07 -0.34 2.18 -0.81 -0.54 0.00 0.00 174.62 175.19 2grg n PRO 82 N -0.71 2.21 -1.49 3.99 -0.04 -1.26 -0.31 135.00 137.39 2grg n PRO 82 Ca -0.07 -1.64 -0.17 0.00 -0.04 0.00 0.00 63.50 61.58 2grg n PRO 82 Cb 0.59 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.38 2grg n PRO 82 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2grg n LYS 83 N 4.63 -1.41 -2.64 0.54 4.81 -1.24 -4.89 118.16 117.96 2grg n LYS 83 Ca 0.49 1.09 -0.43 0.00 -0.87 0.00 0.00 58.31 58.59 2grg n LYS 83 Cb 0.19 -5.42 -0.00 0.00 0.02 0.00 0.00 35.03 29.82 2grg n LYS 83 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2grg s ASN 84 N -2.70 6.87 0.18 3.14 2.20 -1.26 -4.75 114.94 118.63 2grg s ASN 84 Ca 0.00 -2.53 -0.14 0.00 -0.94 0.00 0.00 52.86 49.26 2grg s ASN 84 Cb 0.00 -2.55 0.09 0.00 -2.00 0.00 0.00 41.25 36.79 2grg s ASN 84 CO 0.00 -1.10 1.83 0.50 -2.94 0.00 0.00 177.10 175.39 2grg h LYS 85 N 7.54 0.66 -0.65 3.55 1.63 -1.96 -3.40 116.57 123.94 2grg h LYS 85 Ca 0.42 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.16 2grg h LYS 85 Cb 0.87 -0.15 -0.17 0.00 -0.60 0.00 0.00 32.23 32.18 2grg h LYS 85 CO 1.42 0.44 -0.31 0.54 -3.45 0.00 0.00 179.45 178.08 2grg s ASN 86 N -5.64 -0.97 0.01 4.20 4.22 -1.26 -4.81 114.94 110.68 2grg s ASN 86 Ca -0.13 -0.79 -0.25 0.00 -2.14 0.00 0.00 52.86 49.55 2grg s ASN 86 Cb 0.13 1.26 -0.16 0.00 1.28 0.00 0.00 41.25 43.75 2grg s ASN 86 CO 0.74 -0.08 1.21 -0.09 -2.04 0.00 0.00 177.10 176.85 2grg h ARG 87 N 5.55 -0.42 -7.16 3.55 9.65 -1.94 -3.44 114.38 120.18 2grg h ARG 87 Ca 0.02 0.03 -0.50 0.00 -1.10 0.00 0.00 59.98 58.43 2grg h ARG 87 Cb 1.17 0.10 0.04 0.00 -1.39 0.00 0.00 29.97 29.89 2grg h ARG 87 CO -0.01 -0.10 0.29 -1.21 2.80 0.00 0.00 179.97 181.74 2grg s GLU 88 N -4.61 3.64 -0.37 0.20 8.01 -1.26 -4.96 118.70 119.35 2grg s GLU 88 Ca -0.14 0.58 -0.02 0.00 0.01 0.00 0.00 54.97 55.40 2grg s GLU 88 Cb 0.02 -2.21 0.14 0.00 -4.31 0.00 0.00 34.13 27.77 2grg s GLU 88 CO 0.53 -0.37 2.39 0.41 0.01 0.00 0.00 175.26 178.23 2grg n GLY 89 N -2.31 4.21 3.88 -1.39 0.00 -1.26 -4.93 105.19 103.39 2grg n GLY 89 Ca 0.04 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 2grg n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2grg s VAL 90 N -2.22 5.21 -0.29 1.61 -7.23 -1.26 -5.08 120.40 111.14 2grg s VAL 90 Ca 0.45 0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 60.80 2grg s VAL 90 Cb 0.31 -3.61 0.09 0.00 0.56 0.00 0.00 36.38 33.73 2grg s VAL 90 CO -0.10 0.24 0.06 0.68 -0.31 0.00 0.00 175.10 175.67 2grg s VAL 91 N -1.44 1.11 0.90 1.32 -7.23 -1.26 -5.05 120.40 108.76 2grg s VAL 91 Ca 0.33 -1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 2grg s VAL 91 Cb -0.13 -1.74 0.17 0.00 0.56 0.00 0.00 36.38 35.24 2grg s VAL 91 CO 0.20 -0.52 1.24 -2.16 -0.31 0.00 0.00 175.10 173.55 2grg s PRO 92 N 1.52 0.97 -0.39 4.82 0.04 -1.26 -4.96 135.00 135.74 2grg s PRO 92 Ca 0.06 -0.50 -0.27 0.00 0.04 0.00 0.00 61.00 60.33 2grg s PRO 92 Cb -0.18 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2grg s PRO 92 CO -0.18 -2.15 2.23 -2.14 0.04 0.00 0.00 177.00 174.80 2grg s PRO 93 N -5.71 2.64 0.14 0.56 0.02 -1.26 -4.81 135.00 126.58 2grg s PRO 93 Ca 0.71 1.56 0.25 0.00 0.02 0.00 0.00 61.00 63.54 2grg s PRO 93 Cb -0.05 -4.45 0.62 0.00 0.02 0.00 0.00 34.50 30.64 2grg s PRO 93 CO 0.51 -2.67 1.57 1.33 -0.33 0.00 0.00 177.00 177.41 2grg n VAL 94 N 7.78 0.42 -3.15 3.83 0.24 -1.26 -4.74 118.33 121.44 2grg n VAL 94 Ca 0.31 -0.25 0.05 0.00 -2.04 0.00 0.00 64.34 62.41 2grg n VAL 94 Cb 0.50 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.53 2grg n VAL 94 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2grg s GLY 95 N -3.54 -0.66 -0.22 7.63 0.00 -1.26 -4.90 107.32 104.37 2grg s GLY 95 Ca 0.09 2.33 0.13 0.00 0.00 0.00 0.00 44.72 47.27 2grg s GLY 95 CO 0.65 3.60 -0.02 0.29 0.00 0.00 0.00 173.10 177.62 2grg n ILE 96 N 5.45 1.43 -3.18 0.90 -5.35 -1.26 -4.75 119.36 112.60 2grg n ILE 96 Ca -0.04 -0.76 -0.46 0.00 -0.27 0.00 0.00 62.75 61.22 2grg n ILE 96 Cb 0.52 -0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 37.62 2grg n ILE 96 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2grg s THR 97 N -2.50 5.36 -0.41 7.28 2.01 -1.26 -5.27 115.64 120.85 2grg s THR 97 Ca -0.18 -2.37 0.03 0.00 0.31 0.00 0.00 61.69 59.48 2grg s THR 97 Cb 0.07 -4.62 0.03 0.00 0.01 0.00 0.00 72.50 67.98 2grg s THR 97 CO 0.75 -1.25 0.60 0.59 -0.69 0.00 0.00 174.62 174.63