#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg s LYS 2 N 0.00 2.83 0.24 3.17 2.47 -1.26 -5.02 119.74 122.17 2grg s LYS 2 Ca 0.00 -2.33 -0.30 0.00 -1.56 0.00 0.00 55.97 51.78 2grg s LYS 2 Cb 0.00 -3.97 -0.10 0.00 -1.46 0.00 0.00 37.83 32.30 2grg s LYS 2 CO 0.00 -1.21 1.41 -1.12 0.16 0.00 0.00 175.35 174.59 2grg s SER 3 N 1.57 6.71 -0.08 1.43 0.01 -1.26 -4.92 113.70 117.15 2grg s SER 3 Ca 0.15 2.61 -0.27 0.00 1.31 0.00 0.00 55.95 59.74 2grg s SER 3 Cb -0.19 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 2grg s SER 3 CO -0.04 -0.66 0.90 -0.44 0.41 0.00 0.00 173.24 173.40 2grg s SER 4 N 0.33 7.16 -0.02 2.44 0.01 -1.26 -4.88 113.70 117.47 2grg s SER 4 Ca 0.58 1.42 0.06 0.00 1.31 0.00 0.00 55.95 59.31 2grg s SER 4 Cb -0.41 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.30 2grg s SER 4 CO 0.42 -0.31 -0.18 -0.63 0.41 0.00 0.00 173.24 172.95 2grg s ILE 5 N 1.50 1.47 0.77 1.44 1.01 -1.25 -4.67 121.20 121.47 2grg s ILE 5 Ca 0.45 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2grg s ILE 5 Cb -0.19 -1.23 0.06 0.00 0.01 0.00 0.00 42.46 41.12 2grg s ILE 5 CO 0.20 0.42 1.11 -2.16 0.00 0.00 0.00 174.94 174.50 2grg s PRO 6 N -0.36 2.16 0.48 2.79 0.04 -1.26 -0.49 135.00 138.36 2grg s PRO 6 Ca 0.05 1.30 0.18 0.00 0.04 0.00 0.00 61.00 62.57 2grg s PRO 6 Cb -0.08 -1.88 1.17 0.00 0.04 0.00 0.00 34.50 33.76 2grg s PRO 6 CO -0.00 -1.73 2.05 0.97 0.04 0.00 0.00 177.00 178.32 2grg h ILE 7 N -0.98 0.99 0.00 0.56 6.09 -1.89 -1.44 117.51 120.84 2grg h ILE 7 Ca -0.44 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 62.59 2grg h ILE 7 Cb 1.24 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.79 2grg h ILE 7 CO 0.50 0.13 0.00 0.00 -3.07 0.00 0.00 178.15 175.71 2grg h THR 8 N 0.00 0.00 0.00 2.19 1.03 -1.91 0.87 112.91 115.09 2grg h THR 8 Ca -0.00 -0.08 -0.40 0.00 -0.01 0.00 0.00 66.41 65.92 2grg h THR 8 Cb 0.25 0.76 -0.06 0.00 -1.07 0.00 0.00 68.15 68.02 2grg h THR 8 CO 0.02 0.00 -2.35 -0.62 -0.01 0.00 0.00 175.52 172.56 2grg n GLU 9 N -2.50 0.52 0.04 0.00 -0.58 -0.59 -4.65 120.64 112.88 2grg n GLU 9 Ca -0.01 0.22 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 2grg n GLU 9 Cb 0.10 -1.37 0.12 0.00 -0.57 0.00 0.00 31.44 29.72 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 -0.78 1.33 0.34 2.62 2.07 -1.13 -2.73 116.25 117.97 2grg h VAL 10 Ca -0.60 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.16 2grg h VAL 10 Cb 1.56 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2grg h VAL 10 CO -0.34 0.53 -0.32 0.25 0.02 0.00 0.00 177.57 177.70 2grg h LEU 11 N 0.32 -0.88 -0.96 2.57 5.85 -1.09 -0.89 115.31 120.21 2grg h LEU 11 Ca 0.01 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2grg h LEU 11 Cb 1.00 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2grg h LEU 11 CO 0.09 -0.43 -0.28 1.55 -0.34 0.00 0.00 178.44 179.02 2grg h PRO 12 N -0.66 0.42 -0.07 5.25 0.13 -1.79 -2.97 132.00 132.31 2grg h PRO 12 Ca -0.04 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2grg h PRO 12 Cb 0.57 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2grg h PRO 12 CO -0.03 0.66 0.00 0.54 -0.23 0.00 0.00 178.00 178.94 2grg n ARG 13 N -4.11 1.44 -1.99 0.86 1.74 -1.03 -4.87 116.66 108.69 2grg n ARG 13 Ca -0.01 -0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 56.13 2grg n ARG 13 Cb 0.41 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.92 3.05 0.00 7.54 0.00 -0.35 -4.53 121.76 125.55 2grg s ALA 14 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2grg s ALA 14 Cb 0.18 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2grg s ALA 14 CO 0.29 -0.88 0.37 1.33 0.00 0.00 0.00 175.76 176.86 2grg n VAL 15 N -2.81 0.00 -3.47 0.00 0.24 0.13 -4.95 118.33 107.46 2grg n VAL 15 Ca 0.06 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 2grg n VAL 15 Cb 0.56 1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 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 -0.14 -0.53 -0.19 7.63 0.00 -0.81 -1.15 107.32 112.12 2grg s GLY 16 Ca 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 45.50 2grg s GLY 16 CO 0.00 0.36 0.47 -0.56 0.00 0.00 0.00 173.10 173.38 2grg s SER 17 N -2.39 -0.61 -0.26 1.64 0.01 0.59 0.30 113.70 112.98 2grg s SER 17 Ca 0.01 1.03 -0.06 0.00 1.31 0.00 0.00 55.95 58.25 2grg s SER 17 Cb -0.01 0.92 -0.00 0.00 0.21 0.00 0.00 66.02 67.14 2grg s SER 17 CO -0.08 -0.20 0.04 -0.76 0.41 0.00 0.00 173.24 172.64 2grg s LEU 18 N 1.48 3.48 -0.38 2.44 1.43 0.74 -0.77 118.68 127.11 2grg s LEU 18 Ca -0.10 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.31 2grg s LEU 18 Cb -0.08 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2grg s LEU 18 CO -0.14 -0.11 0.57 -0.89 0.23 0.00 0.00 176.35 176.01 2grg s THR 19 N 1.52 4.94 0.17 5.49 2.01 0.12 -0.14 115.64 129.75 2grg s THR 19 Ca 0.04 0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.41 2grg s THR 19 Cb -0.16 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2grg s THR 19 CO 0.01 -0.35 0.06 -0.36 -0.69 0.00 0.00 174.62 173.30 2grg s PHE 20 N 2.57 2.98 0.56 4.92 0.40 0.18 0.47 117.98 130.07 2grg s PHE 20 Ca 0.21 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 2grg s PHE 20 Cb -0.15 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.95 2grg s PHE 20 CO 0.15 0.52 0.85 0.34 0.70 0.00 0.00 175.22 177.78 2grg s ASP 21 N -3.05 5.61 0.57 1.36 2.15 0.20 -2.12 116.67 121.39 2grg s ASP 21 Ca 0.29 0.59 0.29 0.00 0.43 0.00 0.00 52.55 54.16 2grg s ASP 21 Cb -0.10 -1.62 1.71 0.00 -0.30 0.00 0.00 42.92 42.61 2grg s ASP 21 CO 0.21 -1.01 2.19 1.05 -0.17 0.00 0.00 175.17 177.44 2grg h GLU 22 N -0.06 0.00 -0.57 4.34 4.11 -1.88 0.11 114.58 120.62 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 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2grg h GLU 22 CO 0.60 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.81 2grg n ASN 23 N -3.74 2.93 -3.03 3.06 3.02 -1.26 -4.91 115.26 111.33 2grg n ASN 23 Ca -0.03 -2.23 -0.18 0.00 -0.03 0.00 0.00 54.58 52.11 2grg n ASN 23 Cb 0.14 -0.43 0.07 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.59 -2.26 -4.56 3.10 4.01 0.39 -5.03 117.16 113.40 2grg n TYR 24 Ca 0.15 0.82 -0.31 0.00 -0.16 0.00 0.00 57.90 58.41 2grg n TYR 24 Cb 0.55 -4.36 -0.12 0.00 -0.31 0.00 0.00 39.34 35.10 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 -3.44 3.97 0.08 7.72 0.01 -1.25 -4.86 114.94 117.17 2grg s ASN 25 Ca 0.38 -0.40 -0.31 0.00 -0.71 0.00 0.00 52.86 51.83 2grg s ASN 25 Cb -0.17 -0.69 -0.07 0.00 0.41 0.00 0.00 41.25 40.73 2grg s ASN 25 CO 0.60 0.25 1.35 -0.22 -1.51 0.00 0.00 177.10 177.57 2grg s LEU 26 N -1.56 4.36 -0.22 0.60 2.96 -1.26 0.59 118.68 124.15 2grg s LEU 26 Ca 0.16 2.22 -0.12 0.00 -0.22 0.00 0.00 54.13 56.16 2grg s LEU 26 Cb -0.11 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 2grg s LEU 26 CO 0.07 -0.63 -0.30 0.18 -1.32 0.00 0.00 176.35 174.35 2grg n LEU 27 N 4.23 1.68 -3.84 -0.68 4.77 0.18 -4.87 117.00 118.46 2grg n LEU 27 Ca 0.11 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2grg n LEU 27 Cb 0.43 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.69 2grg n LEU 27 CO 0.58 0.33 -0.34 -0.62 -1.33 0.00 0.00 177.39 176.01 2grg s ASP 28 N -6.89 -0.00 -0.19 -1.43 -1.08 -0.71 -4.99 116.67 101.37 2grg s ASP 28 Ca -0.31 0.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.76 2grg s ASP 28 Cb 0.11 0.02 0.02 0.00 -1.46 0.00 0.00 42.92 41.60 2grg s ASP 28 CO 0.40 -0.03 -0.16 -0.89 0.52 0.00 0.00 175.17 175.01 2grg s THR 29 N 0.24 2.35 0.10 1.71 2.01 -1.26 0.12 115.64 120.89 2grg s THR 29 Ca -0.02 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2grg s THR 29 Cb -0.03 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2grg s THR 29 CO -0.01 0.49 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.88 2grg s SER 30 N 1.32 1.46 0.39 3.53 0.01 0.05 -4.81 113.70 115.65 2grg s SER 30 Ca 0.05 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2grg s SER 30 Cb -0.14 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2grg s SER 30 CO -0.11 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2grg n GLY 31 N 0.51 -0.21 0.29 3.44 0.00 -1.26 -0.30 105.19 107.66 2grg n GLY 31 Ca -0.16 -1.02 0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.60 116.25 116.86 2grg h VAL 32 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2grg h VAL 32 Cb 0.00 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 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 -2.01 1.20 -0.01 1.67 0.00 -1.20 -1.60 120.51 118.57 2grg n ALA 33 Ca -0.02 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 2grg n ALA 33 Cb 0.09 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 0.61 0.00 0.00 1.57 -1.45 -3.24 116.57 114.06 2grg h LYS 34 Ca 0.00 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 2grg h LYS 34 Cb 0.09 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2grg h LYS 34 CO 0.00 1.03 -1.39 1.33 -0.57 0.00 0.00 179.45 179.85 2grg n VAL 35 N -3.95 0.63 -2.33 0.50 0.24 -0.63 -4.89 118.33 107.91 2grg n VAL 35 Ca -0.04 -0.58 -0.37 0.00 -2.04 0.00 0.00 64.34 61.31 2grg n VAL 35 Cb 0.64 -0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 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 -3.27 3.26 0.24 1.34 1.01 -0.81 -4.99 121.20 117.98 2grg s ILE 36 Ca -0.03 0.94 -0.30 0.00 0.00 0.00 0.00 60.65 61.26 2grg s ILE 36 Cb 0.10 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 2grg s ILE 36 CO 0.82 -0.02 1.22 -1.83 0.00 0.00 0.00 174.94 175.13 2grg s GLU 37 N -2.69 4.48 0.18 2.79 -1.05 -1.26 -4.91 118.70 116.25 2grg s GLU 37 Ca 0.63 1.96 -0.13 0.00 -0.15 0.00 0.00 54.97 57.28 2grg s GLU 37 Cb -0.27 -3.19 0.12 0.00 -0.44 0.00 0.00 34.13 30.35 2grg s GLU 37 CO 0.32 -0.06 1.83 0.87 0.95 0.00 0.00 175.26 179.17 2grg h LYS 38 N 4.58 0.69 -2.22 -4.83 6.56 -1.94 -3.48 116.57 115.92 2grg h LYS 38 Ca -0.46 -0.04 0.25 0.00 -1.06 0.00 0.00 60.65 59.34 2grg h LYS 38 Cb 1.22 -0.16 -0.09 0.00 -0.57 0.00 0.00 32.23 32.63 2grg h LYS 38 CO 0.72 0.46 -0.53 0.43 -2.06 0.00 0.00 179.45 178.46 2grg n SER 39 N -4.74 -5.79 -1.60 0.86 7.64 -1.26 -3.92 113.62 104.81 2grg n SER 39 Ca 0.05 0.60 -0.01 0.00 1.01 0.00 0.00 58.87 60.52 2grg n SER 39 Cb 0.06 -3.06 -0.01 0.00 -1.01 0.00 0.00 64.21 60.19 2grg n SER 39 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2grg n PRO 40 N -3.54 0.90 -0.01 1.43 -0.02 -1.26 -4.46 135.00 128.02 2grg n PRO 40 Ca -0.02 -0.04 0.02 0.00 -2.02 0.00 0.00 63.50 61.44 2grg n PRO 40 Cb 0.45 -1.12 0.37 0.00 -0.02 0.00 0.00 33.50 33.18 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2grg h ILE 41 N 1.20 1.14 -0.83 4.25 2.04 -1.93 -2.46 117.51 120.93 2grg h ILE 41 Ca 0.01 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2grg h ILE 41 Cb 0.87 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2grg h ILE 41 CO 0.01 0.16 0.54 0.00 0.00 0.00 0.00 178.15 178.87 2grg h ALA 42 N 1.65 1.62 -0.45 1.87 0.00 -1.88 0.45 119.26 122.51 2grg h ALA 42 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2grg h ALA 42 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2grg h ALA 42 CO -0.02 0.25 -0.04 1.49 0.00 0.00 0.00 179.25 180.93 2grg h GLU 43 N 0.89 0.76 0.00 0.00 4.57 -1.82 -2.41 114.58 116.58 2grg h GLU 43 Ca 0.36 -0.22 -0.16 0.00 -1.18 0.00 0.00 59.36 58.17 2grg h GLU 43 Cb 0.26 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2grg h GLU 43 CO -0.13 0.80 -0.74 0.82 -1.18 0.00 0.00 179.01 178.58 2grg h ILE 44 N 0.71 1.31 -0.26 2.32 1.08 -0.95 -2.87 117.51 118.84 2grg h ILE 44 Ca 0.13 -2.76 -0.00 0.00 -0.39 0.00 0.00 64.86 61.85 2grg h ILE 44 Cb 0.50 2.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 2grg h ILE 44 CO 0.03 0.73 0.16 0.40 -0.69 0.00 0.00 178.15 178.77 2grg h ILE 45 N 0.00 1.09 -0.39 -0.67 2.04 0.19 0.18 117.51 119.95 2grg h ILE 45 Ca -0.01 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 2grg h ILE 45 Cb 1.53 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2grg h ILE 45 CO 0.10 0.08 -0.29 0.08 0.00 0.00 0.00 178.15 178.13 2grg h ARG 46 N 0.34 0.85 -0.15 2.37 0.11 -1.48 0.16 114.38 116.58 2grg h ARG 46 Ca 0.09 -0.38 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 2grg h ARG 46 Cb -0.00 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 2grg h ARG 46 CO -0.02 1.02 0.08 0.87 0.10 0.00 0.00 179.97 182.03 2grg h LYS 47 N 0.72 0.20 0.00 0.08 1.57 -1.28 -2.09 116.57 115.76 2grg h LYS 47 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2grg h LYS 47 Cb 0.83 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2grg h LYS 47 CO 0.07 0.19 -0.12 0.77 -0.57 0.00 0.00 179.45 179.80 2grg h SER 48 N 0.15 0.00 0.02 0.86 0.02 -0.44 -1.82 113.55 112.34 2grg h SER 48 Ca 0.05 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2grg h SER 48 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2grg h SER 48 CO -0.01 0.12 -0.27 -1.13 -1.14 0.00 0.00 176.83 174.39 2grg h ASN 49 N 0.00 0.40 0.42 3.07 -1.24 -0.02 0.79 115.58 118.99 2grg h ASN 49 Ca -0.00 -0.13 -0.18 0.00 0.71 0.00 0.00 56.30 56.70 2grg h ASN 49 Cb 0.47 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 2grg h ASN 49 CO 0.02 0.67 -0.76 0.00 -1.29 0.00 0.00 177.43 176.06 2grg h ALA 50 N 1.37 0.63 -0.05 1.57 0.00 -0.86 -3.31 119.26 118.61 2grg h ALA 50 Ca 0.05 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 2grg h ALA 50 Cb 0.66 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2grg h ALA 50 CO 0.05 0.81 -0.86 0.93 0.00 0.00 0.00 179.25 180.18 2grg h GLU 51 N 0.18 0.68 0.00 0.00 4.39 -1.01 -3.49 114.58 115.33 2grg h GLU 51 Ca -0.03 -0.66 -0.31 0.00 0.34 0.00 0.00 59.36 58.70 2grg h GLU 51 Cb 1.33 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 30.07 2grg h GLU 51 CO 0.12 1.26 -0.29 1.47 -1.16 0.00 0.00 179.01 180.41 2grg n LEU 52 N -3.96 0.00 0.06 1.33 -0.00 0.23 -5.10 117.00 109.55 2grg n LEU 52 Ca -0.10 -2.15 0.00 0.00 -0.00 0.00 0.00 56.01 53.77 2grg n LEU 52 Cb 0.79 1.25 0.00 0.00 -0.00 0.00 0.00 43.42 45.46 2grg n LEU 52 CO 0.53 -0.38 0.00 0.61 -0.00 0.00 0.00 177.39 178.15 2grg n GLY 53 N -0.43 -0.19 0.93 1.47 0.00 -1.26 -4.55 105.19 101.16 2grg n GLY 53 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.95 2.23 -3.58 1.61 0.00 -1.26 -1.96 116.66 110.75 2grg n ARG 54 Ca 0.00 -1.85 -0.19 0.00 -0.00 0.00 0.00 57.85 55.81 2grg n ARG 54 Cb 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 32.46 30.98 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 -1.57 4.03 -0.55 6.15 2.01 -1.26 -2.98 118.68 124.51 2grg s LEU 55 Ca 0.36 -0.14 -0.02 0.00 0.01 0.00 0.00 54.13 54.33 2grg s LEU 55 Cb 0.21 -2.76 0.14 0.00 0.01 0.00 0.00 46.19 43.79 2grg s LEU 55 CO 0.30 -0.35 0.35 -0.83 1.01 0.00 0.00 176.35 176.83 2grg s GLY 56 N -4.13 2.35 0.24 -3.19 0.00 0.35 -4.39 107.32 98.55 2grg s GLY 56 Ca 0.43 -3.05 -0.30 0.00 0.00 0.00 0.00 44.72 41.80 2grg s GLY 56 CO 0.31 1.07 1.15 -0.47 0.00 0.00 0.00 173.10 175.15 2grg s TYR 57 N 0.26 3.49 -0.39 1.90 5.04 -1.24 -3.87 117.35 122.54 2grg s TYR 57 Ca 0.14 1.57 -0.28 0.00 -2.44 0.00 0.00 57.07 56.06 2grg s TYR 57 Cb -0.21 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 2grg s TYR 57 CO -0.03 -0.88 1.72 -1.54 -1.34 0.00 0.00 175.55 173.47 2grg s SER 58 N -0.39 5.90 -0.15 4.32 1.04 -1.26 -1.45 113.70 121.71 2grg s SER 58 Ca 0.48 1.05 0.15 0.00 0.48 0.00 0.00 55.95 58.12 2grg s SER 58 Cb -0.32 -2.53 -0.24 0.00 0.10 0.00 0.00 66.02 63.02 2grg s SER 58 CO 0.40 -1.74 0.25 1.33 0.98 0.00 0.00 173.24 174.45 2grg n VAL 59 N 7.31 1.47 -3.85 5.02 0.24 0.70 -4.89 118.33 124.33 2grg n VAL 59 Ca 0.21 -0.83 -0.22 0.00 -2.04 0.00 0.00 64.34 61.46 2grg n VAL 59 Cb 0.48 -0.69 -0.17 0.00 -1.47 0.00 0.00 33.84 31.99 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 0.63 -0.09 6.34 6.14 -1.15 -4.94 117.35 121.75 2grg s TYR 60 Ca -0.09 -0.15 0.02 0.00 0.64 0.00 0.00 57.07 57.49 2grg s TYR 60 Cb 0.07 -0.73 -0.02 0.00 0.42 0.00 0.00 41.96 41.69 2grg s TYR 60 CO 0.82 -0.28 -0.15 -2.00 0.64 0.00 0.00 175.55 174.58 2grg s GLU 61 N 1.72 2.95 0.31 4.97 2.12 -1.26 0.90 118.70 130.40 2grg s GLU 61 Ca 0.01 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.67 2grg s GLU 61 Cb -0.13 -2.48 -0.06 0.00 0.26 0.00 0.00 34.13 31.73 2grg s GLU 61 CO -0.04 0.39 0.03 0.34 -0.54 0.00 0.00 175.26 175.45 2grg s ASP 62 N -0.13 2.40 0.53 -1.70 2.15 0.20 -4.99 116.67 115.12 2grg s ASP 62 Ca -0.02 -1.33 0.29 0.00 0.43 0.00 0.00 52.55 51.92 2grg s ASP 62 Cb -0.14 -0.09 1.45 0.00 -0.30 0.00 0.00 42.92 43.84 2grg s ASP 62 CO 0.04 -0.56 2.05 0.00 -0.17 0.00 0.00 175.17 176.53 2grg h ALA 63 N 2.17 1.19 0.00 3.66 0.00 -2.02 -3.23 119.26 121.03 2grg h ALA 63 Ca -0.40 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2grg h ALA 63 Cb 1.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2grg h ALA 63 CO 0.69 0.14 -1.60 1.04 0.00 0.00 0.00 179.25 179.52 2grg n GLN 64 N -3.49 1.23 -4.31 0.00 3.00 -1.26 -5.01 117.38 107.54 2grg n GLN 64 Ca -0.01 0.04 -0.17 0.00 -0.01 0.00 0.00 57.00 56.85 2grg n GLN 64 Cb 0.26 -1.22 -0.10 0.00 0.00 0.00 0.00 30.24 29.18 2grg n GLN 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2grg s TYR 65 N -2.21 1.51 -0.04 1.08 2.02 -1.22 -2.44 117.35 116.05 2grg s TYR 65 Ca -0.10 -0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 55.84 2grg s TYR 65 Cb 0.03 -0.79 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 2grg s TYR 65 CO 0.29 0.13 0.01 0.42 -1.57 0.00 0.00 175.55 174.83 2grg s ILE 66 N -3.24 0.17 0.07 2.71 1.01 0.13 0.60 121.20 122.65 2grg s ILE 66 Ca 0.22 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.84 2grg s ILE 66 Cb 0.03 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 42.14 2grg s ILE 66 CO 0.05 0.16 0.50 -0.83 0.00 0.00 0.00 174.94 174.82 2grg s GLY 67 N 1.28 2.52 -0.10 6.18 0.00 0.26 -0.49 107.32 116.96 2grg s GLY 67 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.54 2grg s GLY 67 CO -0.02 0.22 -0.12 0.30 0.00 0.00 0.00 173.10 173.48 2grg s HIS 68 N -1.22 1.72 -0.18 1.90 0.09 0.10 -0.21 115.29 117.49 2grg s HIS 68 Ca 0.30 -0.81 -0.26 0.00 -0.00 0.00 0.00 55.06 54.29 2grg s HIS 68 Cb -0.17 -1.30 -0.01 0.00 -0.00 0.00 0.00 32.58 31.10 2grg s HIS 68 CO 0.17 -0.46 0.85 0.00 -0.00 0.00 0.00 174.74 175.30 2grg s ALA 69 N 1.18 3.54 -0.05 -1.40 0.00 -0.53 -0.82 121.76 123.69 2grg s ALA 69 Ca -0.04 0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2grg s ALA 69 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2grg s ALA 69 CO -0.03 -0.72 -0.14 -0.06 0.00 0.00 0.00 175.76 174.81 2grg s PHE 70 N 2.32 2.71 -0.16 0.00 0.40 0.78 -3.67 117.98 120.36 2grg s PHE 70 Ca 0.39 -0.15 -0.27 0.00 -0.60 0.00 0.00 56.93 56.30 2grg s PHE 70 Cb -0.16 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2grg s PHE 70 CO 0.11 0.20 0.90 0.15 0.70 0.00 0.00 175.22 177.28 2grg s LYS 71 N -0.75 4.32 0.51 0.44 3.01 -0.83 -1.76 119.74 124.70 2grg s LYS 71 Ca 0.12 1.16 0.02 0.00 -1.01 0.00 0.00 55.97 56.26 2grg s LYS 71 Cb -0.11 -3.57 0.02 0.00 -1.01 0.00 0.00 37.83 33.16 2grg s LYS 71 CO 0.01 -0.36 0.20 1.63 0.51 0.00 0.00 175.35 177.33 2grg n LYS 72 N 5.32 0.75 -1.93 1.68 4.76 0.53 -4.76 118.16 124.50 2grg n LYS 72 Ca 0.07 -3.47 -0.31 0.00 -2.87 0.00 0.00 58.31 51.72 2grg n LYS 72 Cb 0.48 0.66 -0.04 0.00 -1.84 0.00 0.00 35.03 34.29 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 -2.81 1.77 -0.74 7.82 0.00 -1.26 -2.62 121.76 123.92 2grg s ALA 73 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2grg s ALA 73 Cb -0.01 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.68 2grg s ALA 73 CO 0.10 -4.50 0.00 0.41 0.00 0.00 0.00 175.76 171.76 2grg n GLY 74 N 6.26 0.84 3.42 0.00 0.00 -1.26 -4.95 105.19 109.49 2grg n GLY 74 Ca 0.32 -0.26 -0.12 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 -2.00 0.90 -0.06 1.61 4.02 -1.08 -4.04 115.29 114.65 2grg s HIS 75 Ca 0.00 -1.15 0.01 0.00 1.02 0.00 0.00 55.06 54.94 2grg s HIS 75 Cb 0.00 -0.19 0.02 0.00 -1.02 0.00 0.00 32.58 31.39 2grg s HIS 75 CO 0.00 -0.91 -0.07 -0.06 1.02 0.00 0.00 174.74 174.72 2grg s PHE 76 N -3.78 1.02 -0.04 1.40 0.08 -0.90 -0.34 117.98 115.42 2grg s PHE 76 Ca 0.31 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.05 2grg s PHE 76 Cb 0.02 -0.83 0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2grg s PHE 76 CO 0.14 -0.24 -0.12 0.42 -0.10 0.00 0.00 175.22 175.32 2grg s ILE 77 N 0.90 1.08 -0.40 0.64 1.01 -0.72 0.51 121.20 124.22 2grg s ILE 77 Ca -0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2grg s ILE 77 Cb -0.15 -0.96 0.05 0.00 0.01 0.00 0.00 42.46 41.41 2grg s ILE 77 CO 0.01 0.33 0.24 -0.69 0.00 0.00 0.00 174.94 174.82 2grg s VAL 78 N 0.33 4.50 -0.23 2.92 1.01 0.80 -0.16 120.40 129.57 2grg s VAL 78 Ca -0.07 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 2grg s VAL 78 Cb -0.12 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2grg s VAL 78 CO 0.02 -0.35 0.56 -0.31 0.00 0.00 0.00 175.10 175.02 2grg s TYR 79 N 1.52 3.33 -0.30 5.22 1.51 -0.00 -0.18 117.35 128.44 2grg s TYR 79 Ca 0.02 0.78 -0.16 0.00 -1.01 0.00 0.00 57.07 56.70 2grg s TYR 79 Cb -0.21 -2.75 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2grg s TYR 79 CO 0.05 -0.21 0.42 -0.06 -1.11 0.00 0.00 175.55 174.64 2grg s PHE 80 N 2.05 3.23 0.28 2.71 0.40 0.15 -0.72 117.98 126.08 2grg s PHE 80 Ca 0.25 0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.97 2grg s PHE 80 Cb -0.16 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 2grg s PHE 80 CO 0.09 -0.33 0.24 0.95 0.70 0.00 0.00 175.22 176.87 2grg s THR 81 N 2.16 4.10 -0.99 0.64 -4.23 0.35 0.21 115.64 117.88 2grg s THR 81 Ca 0.16 -1.38 -0.06 0.00 -1.18 0.00 0.00 61.69 59.22 2grg s THR 81 Cb -0.16 -3.32 -0.06 0.00 1.34 0.00 0.00 72.50 70.30 2grg s THR 81 CO 0.11 -0.28 2.26 -0.81 -0.54 0.00 0.00 174.62 175.36 2grg n PRO 82 N -1.26 2.31 0.00 3.99 -0.04 -1.26 0.17 135.00 138.90 2grg n PRO 82 Ca -0.05 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2grg n PRO 82 Cb 0.59 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.04 0.00 -2.69 0.54 5.02 -1.02 -4.78 118.16 119.27 2grg n LYS 83 Ca 0.49 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.77 2grg n LYS 83 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 2grg n LYS 83 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2grg n ASN 84 N 1.43 -7.85 -0.04 4.39 5.15 -1.26 -4.71 115.26 112.37 2grg n ASN 84 Ca 0.00 1.33 -0.09 0.00 -0.60 0.00 0.00 54.58 55.22 2grg n ASN 84 Cb 0.00 -5.22 -0.03 0.00 -0.53 0.00 0.00 39.78 34.00 2grg n ASN 84 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2grg n LYS 85 N 0.61 0.24 0.00 1.20 4.81 -1.26 -4.97 118.16 118.79 2grg n LYS 85 Ca 0.01 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2grg n LYS 85 Cb 0.04 -0.91 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2grg n LYS 85 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2grg n ASN 86 N -3.71 0.00 0.00 3.14 5.15 -1.26 -4.39 115.26 114.19 2grg n ASN 86 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 2grg n ASN 86 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 2grg n ASN 86 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2grg n ARG 87 N 0.00 0.00 -1.24 1.20 0.63 -1.26 -5.18 116.66 110.81 2grg n ARG 87 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2grg n ARG 87 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 2grg n ARG 87 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2grg n GLU 88 N 0.00 0.46 0.00 -0.14 0.28 -1.26 -4.85 120.64 115.12 2grg n GLU 88 Ca 0.00 -0.82 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 2grg n GLU 88 Cb 0.00 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 32.69 2grg n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2grg n GLY 89 N 2.75 4.18 3.39 -1.84 0.00 -1.26 -5.07 105.19 107.34 2grg n GLY 89 Ca 0.05 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2grg n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2grg s VAL 90 N 0.00 4.12 0.02 1.61 1.01 -1.26 -5.08 120.40 120.82 2grg s VAL 90 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2grg s VAL 90 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2grg s VAL 90 CO 0.00 0.19 1.08 0.68 0.00 0.00 0.00 175.10 177.05 2grg s VAL 91 N 1.55 4.49 0.81 2.92 -7.23 -1.26 -5.03 120.40 116.65 2grg s VAL 91 Ca 0.04 1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 61.89 2grg s VAL 91 Cb -0.16 -4.15 0.08 0.00 0.56 0.00 0.00 36.38 32.71 2grg s VAL 91 CO 0.03 0.13 1.09 -2.16 -0.31 0.00 0.00 175.10 173.88 2grg s PRO 92 N 1.08 2.00 0.25 4.82 0.04 -1.26 -4.97 135.00 136.96 2grg s PRO 92 Ca 0.55 0.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 2grg s PRO 92 Cb -0.25 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 2grg s PRO 92 CO 0.28 -1.74 1.65 -2.30 0.04 0.00 0.00 177.00 174.92 2grg n PRO 93 N -3.55 2.71 -0.18 0.56 -0.02 -1.26 -4.96 135.00 128.30 2grg n PRO 93 Ca 0.08 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2grg n PRO 93 Cb 0.55 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 2.92 0.00 -3.61 -1.45 0.24 -1.26 -4.51 118.33 110.66 2grg n VAL 94 Ca 0.12 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.05 2grg n VAL 94 Cb 0.36 -1.77 -0.10 0.00 -1.47 0.00 0.00 33.84 30.86 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 -2.34 1.98 -0.84 7.63 0.00 -1.26 -4.97 107.32 107.53 2grg s GLY 95 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.59 2grg s GLY 95 CO 0.00 0.50 1.85 -0.26 0.00 0.00 0.00 173.10 175.19 2grg s ILE 96 N 1.24 3.48 -0.55 0.90 -4.36 -1.26 -3.77 121.20 116.88 2grg s ILE 96 Ca 0.09 -0.24 -0.07 0.00 -0.26 0.00 0.00 60.65 60.17 2grg s ILE 96 Cb -0.14 -4.13 0.01 0.00 1.25 0.00 0.00 42.46 39.45 2grg s ILE 96 CO 0.06 -1.07 0.61 0.41 0.24 0.00 0.00 174.94 175.19 2grg n THR 97 N 7.56-10.03 -0.66 8.37 -1.04 -1.26 -5.13 114.28 112.10 2grg n THR 97 Ca 0.33 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 2grg n THR 97 Cb 0.49 -6.89 0.00 0.00 -1.82 0.00 0.00 70.33 62.10 2grg n THR 97 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02