#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 4.81 0.00 2.12 2.47 -1.26 -3.57 119.74 124.31 2grg s LYS 2 Ca 0.00 1.53 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 2grg s LYS 2 Cb 0.00 -3.28 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2grg s LYS 2 CO 0.00 0.43 0.00 0.43 0.16 0.00 0.00 175.35 176.37 2grg n SER 3 N 1.66 -3.21 -4.42 1.43 7.64 -1.26 -5.00 113.62 110.45 2grg n SER 3 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 2grg n SER 3 Cb 0.47 -1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.30 2grg n SER 3 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2grg s SER 4 N -2.12 3.69 -0.01 6.43 1.04 -1.23 -4.64 113.70 116.86 2grg s SER 4 Ca 0.00 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.16 2grg s SER 4 Cb 0.00 -0.64 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 2grg s SER 4 CO 0.00 0.32 -0.20 -0.63 0.98 0.00 0.00 173.24 173.71 2grg s ILE 5 N -0.74 1.60 0.69 -1.02 1.01 -1.23 -4.26 121.20 117.24 2grg s ILE 5 Ca 0.12 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 2grg s ILE 5 Cb -0.10 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2grg s ILE 5 CO 0.01 0.41 1.14 -2.16 0.00 0.00 0.00 174.94 174.34 2grg s PRO 6 N -0.58 2.55 0.42 2.79 0.04 -1.26 -1.53 135.00 137.44 2grg s PRO 6 Ca 0.08 1.50 0.18 0.00 0.04 0.00 0.00 61.00 62.79 2grg s PRO 6 Cb -0.08 -1.91 0.95 0.00 0.04 0.00 0.00 34.50 33.50 2grg s PRO 6 CO -0.00 -1.46 1.90 0.97 0.04 0.00 0.00 177.00 178.44 2grg h ILE 7 N -0.13 0.99 -0.62 0.56 6.09 -1.95 -1.48 117.51 120.97 2grg h ILE 7 Ca -0.47 -1.03 0.13 0.00 -1.37 0.00 0.00 64.86 62.13 2grg h ILE 7 Cb 1.26 1.59 -0.04 0.00 0.47 0.00 0.00 36.82 40.10 2grg h ILE 7 CO 0.52 0.27 0.42 0.74 -3.07 0.00 0.00 178.15 177.04 2grg h THR 8 N 0.00 0.82 0.03 2.19 2.02 -2.00 0.29 112.91 116.25 2grg h THR 8 Ca -0.00 -0.10 -0.33 0.00 0.77 0.00 0.00 66.41 66.75 2grg h THR 8 Cb 0.56 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2grg h THR 8 CO 0.04 0.05 -1.81 -0.62 0.37 0.00 0.00 175.52 173.54 2grg n GLU 9 N -4.45 0.63 -0.16 6.66 -0.58 -0.82 -4.44 120.64 117.48 2grg n GLU 9 Ca 0.11 0.40 -0.08 0.00 -0.42 0.00 0.00 57.16 57.16 2grg n GLU 9 Cb 0.49 -1.67 0.06 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.64 1.26 0.49 2.62 2.07 -0.99 -2.47 116.25 118.59 2grg h VAL 10 Ca -0.46 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 2grg h VAL 10 Cb 1.60 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2grg h VAL 10 CO -0.17 0.43 -0.38 0.25 0.02 0.00 0.00 177.57 177.72 2grg h LEU 11 N 0.85 -1.01 -1.41 2.57 5.85 -0.67 0.65 115.31 122.13 2grg h LEU 11 Ca 0.14 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2grg h LEU 11 Cb 0.64 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2grg h LEU 11 CO 0.04 -0.54 0.00 1.55 -0.34 0.00 0.00 178.44 179.15 2grg h PRO 12 N -0.84 0.00 -0.63 5.25 0.13 -1.77 -2.53 132.00 131.61 2grg h PRO 12 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2grg h PRO 12 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2grg h PRO 12 CO 0.01 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.32 2grg n ARG 13 N -2.84 3.41 -3.55 0.86 1.74 -0.93 -4.97 116.66 110.38 2grg n ARG 13 Ca 0.01 -2.77 -0.28 0.00 -0.77 0.00 0.00 57.85 54.03 2grg n ARG 13 Cb 0.25 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 -1.63 3.74 0.00 7.54 0.00 0.19 -4.36 121.76 127.24 2grg s ALA 14 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2grg s ALA 14 Cb 0.30 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2grg s ALA 14 CO 0.25 0.38 0.56 1.33 0.00 0.00 0.00 175.76 178.28 2grg n VAL 15 N -0.71 0.16 -3.49 0.00 0.24 0.11 -4.96 118.33 109.69 2grg n VAL 15 Ca -0.03 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 2grg n VAL 15 Cb 0.54 0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.16 -0.54 -0.20 7.63 0.00 -0.89 -0.90 107.32 112.25 2grg s GLY 16 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.65 2grg s GLY 16 CO 0.00 0.57 0.49 -0.56 0.00 0.00 0.00 173.10 173.60 2grg s SER 17 N -1.97 -0.64 -0.25 1.64 0.01 0.22 0.47 113.70 113.17 2grg s SER 17 Ca -0.03 1.09 -0.06 0.00 1.31 0.00 0.00 55.95 58.26 2grg s SER 17 Cb -0.01 0.99 -0.01 0.00 0.21 0.00 0.00 66.02 67.20 2grg s SER 17 CO -0.03 -0.21 0.03 -0.76 0.41 0.00 0.00 173.24 172.68 2grg s LEU 18 N 1.54 3.31 -0.42 2.44 1.43 0.81 -0.59 118.68 127.21 2grg s LEU 18 Ca -0.09 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 52.40 2grg s LEU 18 Cb -0.08 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2grg s LEU 18 CO -0.15 -0.06 0.68 -0.89 0.23 0.00 0.00 176.35 176.16 2grg s THR 19 N 1.53 4.80 0.22 5.49 2.01 0.32 -0.46 115.64 129.54 2grg s THR 19 Ca 0.05 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.45 2grg s THR 19 Cb -0.15 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2grg s THR 19 CO 0.01 -0.55 0.21 -0.36 -0.69 0.00 0.00 174.62 173.24 2grg s PHE 20 N 2.92 3.20 0.65 4.92 0.40 0.20 0.25 117.98 130.51 2grg s PHE 20 Ca 0.25 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.48 2grg s PHE 20 Cb -0.14 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 41.96 2grg s PHE 20 CO 0.19 0.51 0.93 0.34 0.70 0.00 0.00 175.22 177.89 2grg s ASP 21 N -3.61 5.02 0.31 1.36 2.15 0.22 -2.08 116.67 120.05 2grg s ASP 21 Ca 0.33 0.34 0.26 0.00 0.43 0.00 0.00 52.55 53.91 2grg s ASP 21 Cb -0.09 -1.10 1.01 0.00 -0.30 0.00 0.00 42.92 42.45 2grg s ASP 21 CO 0.25 -1.41 1.77 1.05 -0.17 0.00 0.00 175.17 176.66 2grg h GLU 22 N -0.36 0.00 -0.24 4.34 4.11 -1.89 0.12 114.58 120.67 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 0.58 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.75 2grg n ASN 23 N -2.43 1.35 -2.16 3.06 3.02 -1.26 -4.90 115.26 111.94 2grg n ASN 23 Ca 0.02 -1.95 -0.16 0.00 -0.03 0.00 0.00 54.58 52.46 2grg n ASN 23 Cb 0.28 -0.16 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 0.22 -1.26 -4.13 3.10 4.01 0.43 -5.01 117.16 114.52 2grg n TYR 24 Ca 0.10 0.28 -0.34 0.00 -0.16 0.00 0.00 57.90 57.78 2grg n TYR 24 Cb 0.22 -3.52 -0.07 0.00 -0.31 0.00 0.00 39.34 35.66 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 -2.64 5.68 0.06 7.72 0.01 -1.25 -4.81 114.94 119.71 2grg s ASN 25 Ca 0.16 0.18 -0.31 0.00 -0.71 0.00 0.00 52.86 52.19 2grg s ASN 25 Cb -0.07 -1.65 -0.07 0.00 0.41 0.00 0.00 41.25 39.87 2grg s ASN 25 CO 0.20 0.31 1.37 -0.22 -1.51 0.00 0.00 177.10 177.25 2grg s LEU 26 N -1.49 4.35 -0.17 0.60 2.96 -1.26 0.72 118.68 124.39 2grg s LEU 26 Ca 0.20 2.21 -0.13 0.00 -0.22 0.00 0.00 54.13 56.19 2grg s LEU 26 Cb -0.12 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 2grg s LEU 26 CO 0.11 -0.66 -0.28 0.18 -1.32 0.00 0.00 176.35 174.38 2grg n LEU 27 N 4.54 1.66 -3.95 -0.68 4.77 0.14 -4.87 117.00 118.60 2grg n LEU 27 Ca 0.12 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 2grg n LEU 27 Cb 0.43 -0.65 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 2grg n LEU 27 CO 0.58 0.01 -0.35 -0.62 -1.33 0.00 0.00 177.39 175.68 2grg s ASP 28 N -6.41 0.18 -0.10 -1.43 2.15 -0.87 -5.01 116.67 105.19 2grg s ASP 28 Ca -0.26 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.36 2grg s ASP 28 Cb 0.07 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 2grg s ASP 28 CO 0.36 -0.26 -0.21 -0.89 -0.17 0.00 0.00 175.17 174.00 2grg s THR 29 N -1.21 1.85 0.04 1.71 2.01 -1.26 -0.52 115.64 118.25 2grg s THR 29 Ca -0.13 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.01 2grg s THR 29 Cb -0.08 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 2grg s THR 29 CO -0.01 0.51 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.90 2grg s SER 30 N 0.46 1.13 0.55 3.53 0.01 0.24 -4.89 113.70 114.73 2grg s SER 30 Ca -0.17 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2grg s SER 30 Cb -0.17 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2grg s SER 30 CO 0.07 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2grg n GLY 31 N 1.60 0.75 0.18 3.44 0.00 -1.26 -0.61 105.19 109.29 2grg n GLY 31 Ca -0.21 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.36 -2.55 116.25 116.02 2grg h VAL 32 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2grg h VAL 32 Cb 0.00 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 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 -1.84 1.15 0.13 1.67 0.00 -1.15 -1.12 120.51 119.35 2grg n ALA 33 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2grg n ALA 33 Cb 0.15 -1.25 0.12 0.00 0.00 0.00 0.00 19.45 18.46 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 0.00 0.00 0.00 1.57 -1.64 -3.24 116.57 113.26 2grg h LYS 34 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2grg h LYS 34 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2grg h LYS 34 CO 0.00 0.66 -1.82 1.33 -0.57 0.00 0.00 179.45 179.04 2grg n VAL 35 N -3.57 0.40 -2.49 0.50 0.24 -0.27 -4.93 118.33 108.20 2grg n VAL 35 Ca -0.00 -0.57 -0.37 0.00 -2.04 0.00 0.00 64.34 61.35 2grg n VAL 35 Cb 0.69 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.30 3.60 0.52 1.34 1.01 -0.91 -5.01 121.20 118.45 2grg s ILE 36 Ca -0.06 1.28 -0.21 0.00 0.00 0.00 0.00 60.65 61.65 2grg s ILE 36 Cb 0.12 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2grg s ILE 36 CO 0.87 0.06 1.20 -1.83 0.00 0.00 0.00 174.94 175.24 2grg s GLU 37 N -2.36 3.39 -0.10 2.79 -1.05 -1.26 -4.92 118.70 115.18 2grg s GLU 37 Ca 0.56 1.84 -0.03 0.00 -0.15 0.00 0.00 54.97 57.20 2grg s GLU 37 Cb -0.24 -2.19 -0.02 0.00 -0.44 0.00 0.00 34.13 31.23 2grg s GLU 37 CO 0.31 -0.88 0.08 0.87 0.95 0.00 0.00 175.26 176.59 2grg h LYS 38 N 1.51 -0.02 0.00 -4.83 6.56 -1.95 -3.49 116.57 114.35 2grg h LYS 38 Ca -0.50 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.18 2grg h LYS 38 Cb 1.27 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.92 2grg h LYS 38 CO 0.58 0.06 -0.11 0.43 -2.06 0.00 0.00 179.45 178.34 2grg n SER 39 N -4.78 -5.63 -1.71 0.86 7.64 -1.26 -3.11 113.62 105.62 2grg n SER 39 Ca -0.01 0.34 -0.00 0.00 1.01 0.00 0.00 58.87 60.20 2grg n SER 39 Cb 0.04 -0.96 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 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 -2.19 0.66 -0.22 1.43 -0.02 -1.26 -4.27 135.00 129.14 2grg n PRO 40 Ca 0.00 -0.03 -0.01 0.00 -2.02 0.00 0.00 63.50 61.44 2grg n PRO 40 Cb 0.14 -1.21 0.20 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.42 1.22 -0.46 4.25 2.04 -1.91 -1.81 117.51 122.25 2grg h ILE 41 Ca 0.01 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.34 2grg h ILE 41 Cb 0.65 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2grg h ILE 41 CO 0.02 0.24 0.31 0.00 0.00 0.00 0.00 178.15 178.71 2grg h ALA 42 N 1.43 1.72 -0.88 1.87 0.00 -1.85 0.23 119.26 121.77 2grg h ALA 42 Ca 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2grg h ALA 42 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2grg h ALA 42 CO -0.04 0.24 0.45 1.49 0.00 0.00 0.00 179.25 181.39 2grg h GLU 43 N 0.58 1.25 0.00 0.00 4.57 -1.67 -1.30 114.58 118.00 2grg h GLU 43 Ca 0.18 -0.16 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 2grg h GLU 43 Cb 0.00 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 2grg h GLU 43 CO -0.04 0.93 -0.79 0.82 -1.18 0.00 0.00 179.01 178.76 2grg h ILE 44 N 1.24 1.46 -0.32 2.32 1.08 -0.91 -2.87 117.51 119.50 2grg h ILE 44 Ca 0.31 -2.79 -0.01 0.00 -0.39 0.00 0.00 64.86 61.98 2grg h ILE 44 Cb 0.07 2.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 2grg h ILE 44 CO -0.04 0.77 0.17 0.40 -0.69 0.00 0.00 178.15 178.75 2grg h ILE 45 N 0.00 1.15 -0.62 -0.67 2.04 -0.03 0.17 117.51 119.55 2grg h ILE 45 Ca -0.01 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 2grg h ILE 45 Cb 1.48 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2grg h ILE 45 CO 0.10 0.15 0.11 0.08 0.00 0.00 0.00 178.15 178.59 2grg h ARG 46 N 0.40 1.02 -0.10 2.37 0.11 -1.28 0.27 114.38 117.17 2grg h ARG 46 Ca 0.11 -0.27 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2grg h ARG 46 Cb 0.09 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.04 2grg h ARG 46 CO -0.02 0.95 0.07 0.87 0.10 0.00 0.00 179.97 181.94 2grg h LYS 47 N 0.93 0.13 -0.10 0.08 1.57 -1.27 -2.24 116.57 115.68 2grg h LYS 47 Ca 0.19 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2grg h LYS 47 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2grg h LYS 47 CO 0.01 0.09 -0.19 0.77 -0.57 0.00 0.00 179.45 179.57 2grg h SER 48 N 0.13 0.15 -0.23 0.86 0.02 -0.36 -2.06 113.55 112.06 2grg h SER 48 Ca 0.04 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2grg h SER 48 Cb -0.01 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2grg h SER 48 CO -0.01 0.35 -0.06 -1.13 -1.14 0.00 0.00 176.83 174.84 2grg h ASN 49 N 0.15 0.57 1.69 3.07 -1.24 -0.02 0.19 115.58 119.98 2grg h ASN 49 Ca 0.03 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 2grg h ASN 49 Cb 0.42 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2grg h ASN 49 CO 0.03 0.68 -0.31 0.00 -1.29 0.00 0.00 177.43 176.54 2grg h ALA 50 N 1.38 0.80 0.07 1.57 0.00 -0.82 -3.34 119.26 118.92 2grg h ALA 50 Ca 0.11 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2grg h ALA 50 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2grg h ALA 50 CO 0.02 0.38 -1.08 0.93 0.00 0.00 0.00 179.25 179.51 2grg h GLU 51 N 0.00 0.15 -5.60 0.00 4.39 -0.84 -3.49 114.58 109.19 2grg h GLU 51 Ca -0.00 -0.25 -0.54 0.00 0.34 0.00 0.00 59.36 58.90 2grg h GLU 51 Cb 1.23 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.84 2grg h GLU 51 CO 0.04 1.12 -0.65 -0.48 -1.16 0.00 0.00 179.01 177.88 2grg s LEU 52 N -7.77 2.57 0.00 1.33 0.05 0.61 -5.06 118.68 110.41 2grg s LEU 52 Ca -0.21 -1.25 0.02 0.00 0.05 0.00 0.00 54.13 52.74 2grg s LEU 52 Cb 0.03 -0.74 0.01 0.00 -2.05 0.00 0.00 46.19 43.45 2grg s LEU 52 CO 0.72 -0.36 0.50 0.61 -0.55 0.00 0.00 176.35 177.26 2grg n GLY 53 N -0.71 -0.99 0.85 -3.48 0.00 -1.26 -4.49 105.19 95.10 2grg n GLY 53 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.05 0.00 -0.58 1.61 0.63 -1.26 -4.62 116.66 112.40 2grg n ARG 54 Ca 0.01 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.64 2grg n ARG 54 Cb 0.05 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.17 2grg n ARG 54 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2grg n LEU 55 N -1.89 0.00 -4.33 6.15 4.77 -1.26 -3.79 117.00 116.65 2grg n LEU 55 Ca 0.00 0.05 -0.46 0.00 -0.03 0.00 0.00 56.01 55.57 2grg n LEU 55 Cb 0.00 -1.29 -0.05 0.00 -2.33 0.00 0.00 43.42 39.74 2grg n LEU 55 CO 0.00 -2.96 0.14 -0.83 -1.33 0.00 0.00 177.39 172.42 2grg s GLY 56 N -2.39 2.06 0.07 -0.72 0.00 -0.58 -4.43 107.32 101.33 2grg s GLY 56 Ca 0.66 -2.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 2grg s GLY 56 CO 0.63 1.20 1.00 -0.47 0.00 0.00 0.00 173.10 175.47 2grg s TYR 57 N 1.69 3.70 -0.39 1.90 6.14 -1.14 -3.55 117.35 125.70 2grg s TYR 57 Ca 0.04 1.69 -0.28 0.00 0.64 0.00 0.00 57.07 59.16 2grg s TYR 57 Cb -0.29 -3.14 -0.01 0.00 0.42 0.00 0.00 41.96 38.95 2grg s TYR 57 CO 0.04 -0.10 1.66 -1.12 0.64 0.00 0.00 175.55 176.68 2grg s SER 58 N 0.49 6.00 -0.12 4.32 0.01 -1.26 -0.24 113.70 122.90 2grg s SER 58 Ca 0.50 1.04 0.13 0.00 1.31 0.00 0.00 55.95 58.93 2grg s SER 58 Cb -0.24 -2.53 -0.24 0.00 0.21 0.00 0.00 66.02 63.23 2grg s SER 58 CO 0.30 -1.67 0.37 1.33 0.41 0.00 0.00 173.24 173.98 2grg n VAL 59 N 7.27 1.53 -3.74 3.43 0.24 0.47 -4.89 118.33 122.65 2grg n VAL 59 Ca 0.20 -0.80 -0.19 0.00 -2.04 0.00 0.00 64.34 61.52 2grg n VAL 59 Cb 0.48 -0.89 -0.17 0.00 -1.47 0.00 0.00 33.84 31.78 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 -2.55 0.16 -0.16 6.34 5.04 -1.16 -4.94 117.35 120.08 2grg s TYR 60 Ca -0.09 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.69 2grg s TYR 60 Cb 0.07 -0.45 0.01 0.00 0.35 0.00 0.00 41.96 41.95 2grg s TYR 60 CO 0.81 -0.17 -0.19 -2.00 -1.34 0.00 0.00 175.55 172.66 2grg s GLU 61 N 1.71 3.08 0.36 4.97 2.12 -1.26 0.74 118.70 130.42 2grg s GLU 61 Ca -0.01 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.59 2grg s GLU 61 Cb -0.12 -2.55 -0.07 0.00 0.26 0.00 0.00 34.13 31.65 2grg s GLU 61 CO -0.03 -0.07 -0.04 0.34 -0.54 0.00 0.00 175.26 174.92 2grg s ASP 62 N 0.98 3.64 0.54 -1.70 2.15 0.66 -5.01 116.67 117.93 2grg s ASP 62 Ca -0.03 -1.27 0.35 0.00 0.43 0.00 0.00 52.55 52.03 2grg s ASP 62 Cb -0.15 -0.34 1.56 0.00 -0.30 0.00 0.00 42.92 43.69 2grg s ASP 62 CO -0.05 -0.33 2.03 0.00 -0.17 0.00 0.00 175.17 176.66 2grg h ALA 63 N 1.95 1.00 0.00 3.66 0.00 -2.02 -3.26 119.26 120.58 2grg h ALA 63 Ca -0.43 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.07 2grg h ALA 63 Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2grg h ALA 63 CO 0.74 0.00 -2.34 1.04 0.00 0.00 0.00 179.25 178.69 2grg n GLN 64 N -2.98 0.58 -4.28 0.00 6.02 -1.26 -4.99 117.38 110.47 2grg n GLN 64 Ca -0.00 0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 57.10 2grg n GLN 64 Cb 0.24 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.55 1.37 -0.05 1.08 2.02 -1.23 -3.42 117.35 114.58 2grg s TYR 65 Ca -0.38 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 55.35 2grg s TYR 65 Cb 0.13 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 2grg s TYR 65 CO 0.49 -0.14 -0.03 0.42 -1.57 0.00 0.00 175.55 174.71 2grg s ILE 66 N -3.56 0.49 0.03 2.71 1.01 0.14 -0.25 121.20 121.78 2grg s ILE 66 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 2grg s ILE 66 Cb 0.06 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 2grg s ILE 66 CO 0.06 0.23 0.36 -0.83 0.00 0.00 0.00 174.94 174.76 2grg s GLY 67 N 1.15 2.35 -0.05 6.18 0.00 0.23 -0.53 107.32 116.65 2grg s GLY 67 Ca -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.28 2grg s GLY 67 CO -0.01 -0.13 -0.10 0.30 0.00 0.00 0.00 173.10 173.15 2grg s HIS 68 N -1.26 1.18 -0.17 1.90 0.09 0.02 -0.39 115.29 116.66 2grg s HIS 68 Ca 0.28 -0.37 -0.22 0.00 -0.00 0.00 0.00 55.06 54.74 2grg s HIS 68 Cb -0.14 -0.88 -0.02 0.00 -0.00 0.00 0.00 32.58 31.53 2grg s HIS 68 CO 0.15 -0.20 0.68 0.00 -0.00 0.00 0.00 174.74 175.38 2grg s ALA 69 N 0.51 3.51 -0.03 -1.40 0.00 0.67 -0.78 121.76 124.25 2grg s ALA 69 Ca -0.10 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.79 2grg s ALA 69 Cb -0.13 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2grg s ALA 69 CO 0.02 -0.50 -0.22 -0.06 0.00 0.00 0.00 175.76 175.00 2grg s PHE 70 N 1.77 2.46 -0.23 0.00 0.40 0.40 -2.88 117.98 119.90 2grg s PHE 70 Ca 0.32 -0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 56.03 2grg s PHE 70 Cb -0.16 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.83 2grg s PHE 70 CO 0.12 0.04 0.97 0.15 0.70 0.00 0.00 175.22 177.20 2grg s LYS 71 N -0.67 4.24 0.45 0.44 3.01 -1.25 -1.85 119.74 124.11 2grg s LYS 71 Ca 0.11 1.22 0.03 0.00 -1.01 0.00 0.00 55.97 56.31 2grg s LYS 71 Cb -0.10 -3.64 0.03 0.00 -1.01 0.00 0.00 37.83 33.11 2grg s LYS 71 CO -0.00 -0.58 0.21 1.63 0.51 0.00 0.00 175.35 177.12 2grg n LYS 72 N 6.17 0.87 -1.78 1.68 4.76 0.55 -4.77 118.16 125.63 2grg n LYS 72 Ca 0.10 -2.98 -0.28 0.00 -2.87 0.00 0.00 58.31 52.28 2grg n LYS 72 Cb 0.47 0.51 -0.05 0.00 -1.84 0.00 0.00 35.03 34.12 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 -2.69 1.49 0.00 7.82 0.00 -1.26 -2.61 121.76 124.50 2grg s ALA 73 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2grg s ALA 73 Cb -0.01 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.66 2grg s ALA 73 CO 0.10 -4.84 0.00 0.41 0.00 0.00 0.00 175.76 171.44 2grg n GLY 74 N 6.36 0.33 3.37 0.00 0.00 -1.26 -4.94 105.19 109.05 2grg n GLY 74 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.79 1.03 -0.08 1.61 4.02 -1.07 -4.06 115.29 114.95 2grg s HIS 75 Ca 0.00 -1.24 0.02 0.00 1.02 0.00 0.00 55.06 54.86 2grg s HIS 75 Cb 0.00 -0.30 0.02 0.00 -1.02 0.00 0.00 32.58 31.27 2grg s HIS 75 CO 0.00 -0.86 -0.13 -0.06 1.02 0.00 0.00 174.74 174.71 2grg s PHE 76 N -3.80 1.62 -0.04 1.40 0.08 -0.88 -0.33 117.98 116.02 2grg s PHE 76 Ca 0.33 -0.68 0.04 0.00 0.12 0.00 0.00 56.93 56.74 2grg s PHE 76 Cb 0.03 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.28 2grg s PHE 76 CO 0.15 -0.37 -0.15 0.42 -0.10 0.00 0.00 175.22 175.17 2grg s ILE 77 N 0.91 1.29 -0.36 0.64 1.01 -0.77 0.60 121.20 124.52 2grg s ILE 77 Ca -0.10 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 2grg s ILE 77 Cb -0.15 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.23 2grg s ILE 77 CO 0.01 0.38 0.18 -0.69 0.00 0.00 0.00 174.94 174.81 2grg s VAL 78 N 0.09 4.48 -0.21 2.92 1.01 0.39 -0.45 120.40 128.63 2grg s VAL 78 Ca -0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2grg s VAL 78 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2grg s VAL 78 CO 0.02 -0.16 0.46 -0.31 0.00 0.00 0.00 175.10 175.10 2grg s TYR 79 N 1.55 3.36 -0.29 5.22 1.51 0.04 -0.13 117.35 128.61 2grg s TYR 79 Ca 0.02 0.68 -0.13 0.00 -1.01 0.00 0.00 57.07 56.63 2grg s TYR 79 Cb -0.19 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 2grg s TYR 79 CO 0.06 -0.07 0.29 -0.06 -1.11 0.00 0.00 175.55 174.65 2grg s PHE 80 N 1.54 3.23 0.06 2.71 0.40 0.18 -0.80 117.98 125.28 2grg s PHE 80 Ca 0.21 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.75 2grg s PHE 80 Cb -0.15 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 2grg s PHE 80 CO 0.09 -0.24 0.04 0.95 0.70 0.00 0.00 175.22 176.75 2grg s THR 81 N 1.91 4.31 -0.59 0.64 -4.23 0.31 0.08 115.64 118.07 2grg s THR 81 Ca 0.11 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2grg s THR 81 Cb -0.16 -3.03 -0.11 0.00 1.34 0.00 0.00 72.50 70.54 2grg s THR 81 CO 0.11 0.20 2.38 -0.81 -0.54 0.00 0.00 174.62 175.96 2grg n PRO 82 N 0.78 1.91 -1.83 3.99 -0.04 -1.26 0.29 135.00 138.84 2grg n PRO 82 Ca -0.11 -1.18 -0.21 0.00 -0.04 0.00 0.00 63.50 61.96 2grg n PRO 82 Cb 0.52 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 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 3.47 -1.52 -2.14 0.54 5.02 -1.22 -4.82 118.16 117.50 2grg n LYS 83 Ca 0.41 1.18 -0.43 0.00 -2.02 0.00 0.00 58.31 57.45 2grg n LYS 83 Cb 0.34 -5.64 -0.02 0.00 -0.02 0.00 0.00 35.03 29.69 2grg n LYS 83 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2grg s ASN 84 N -2.58 6.36 0.00 4.39 3.84 -1.26 -4.78 114.94 120.91 2grg s ASN 84 Ca 0.00 1.53 0.00 0.00 0.21 0.00 0.00 52.86 54.60 2grg s ASN 84 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2grg s ASN 84 CO 0.00 -1.29 0.68 2.29 -2.79 0.00 0.00 177.10 175.98 2grg n LYS 85 N 7.72 1.21 0.00 0.43 2.85 -1.26 -4.96 118.16 124.15 2grg n LYS 85 Ca 0.19 -0.90 0.00 0.00 -1.05 0.00 0.00 58.31 56.55 2grg n LYS 85 Cb 0.46 -0.78 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 2grg n LYS 85 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2grg n ASN 86 N -0.22 0.00 0.00 -5.58 3.02 -1.26 -4.37 115.26 106.85 2grg n ASN 86 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2grg n ASN 86 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2grg n ASN 86 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2grg n ARG 87 N 0.00 0.00 -2.21 3.52 0.63 -1.26 -5.14 116.66 112.20 2grg n ARG 87 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2grg n ARG 87 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2grg n ARG 87 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2grg s GLU 88 N 0.00 3.46 -1.41 -0.14 0.41 -1.26 -4.90 118.70 114.86 2grg s GLU 88 Ca 0.00 1.72 -0.13 0.00 -0.41 0.00 0.00 54.97 56.16 2grg s GLU 88 Cb 0.00 -2.16 -0.03 0.00 -1.78 0.00 0.00 34.13 30.16 2grg s GLU 88 CO 0.00 -0.79 2.45 0.41 -0.49 0.00 0.00 175.26 176.84 2grg n GLY 89 N 0.33 4.07 3.55 -1.39 0.00 -1.26 -4.90 105.19 105.59 2grg n GLY 89 Ca 0.10 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 3.03 4.26 -0.16 1.61 -7.23 -1.26 -5.01 120.40 115.64 2grg s VAL 90 Ca 0.55 0.57 0.01 0.00 -1.81 0.00 0.00 61.98 61.31 2grg s VAL 90 Cb 0.15 -4.60 0.01 0.00 0.56 0.00 0.00 36.38 32.50 2grg s VAL 90 CO -0.05 -1.17 -0.19 0.68 -0.31 0.00 0.00 175.10 174.05 2grg s VAL 91 N 4.31 2.23 0.12 1.32 -7.23 -1.26 -4.84 120.40 115.05 2grg s VAL 91 Ca 0.36 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 2grg s VAL 91 Cb -0.10 -1.92 -0.06 0.00 0.56 0.00 0.00 36.38 34.85 2grg s VAL 91 CO 0.22 0.53 1.12 -2.16 -0.31 0.00 0.00 175.10 174.51 2grg s PRO 92 N 1.03 4.53 0.29 4.82 0.04 -1.26 -4.70 135.00 139.75 2grg s PRO 92 Ca -0.02 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2grg s PRO 92 Cb -0.14 -3.32 -0.11 0.00 0.04 0.00 0.00 34.50 30.97 2grg s PRO 92 CO -0.06 -0.05 1.56 -1.25 0.04 0.00 0.00 177.00 177.24 2grg s PRO 93 N 0.25 4.15 -0.65 0.56 0.04 -1.26 0.09 135.00 138.18 2grg s PRO 93 Ca 0.53 2.53 -0.27 0.00 0.04 0.00 0.00 61.00 63.83 2grg s PRO 93 Cb -0.29 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 2grg s PRO 93 CO 0.32 -0.59 1.64 0.54 0.04 0.00 0.00 177.00 178.95 2grg s VAL 94 N -0.07 3.50 -0.72 -0.36 0.11 -1.26 -4.78 120.40 116.82 2grg s VAL 94 Ca 0.62 0.30 0.04 0.00 -2.93 0.00 0.00 61.98 60.01 2grg s VAL 94 Cb -0.47 -4.30 0.23 0.00 -1.53 0.00 0.00 36.38 30.32 2grg s VAL 94 CO 0.48 -1.24 0.90 0.61 -3.33 0.00 0.00 175.10 172.52 2grg n GLY 95 N 5.56 2.00 0.15 6.54 0.00 -1.26 -3.69 105.19 114.50 2grg n GLY 95 Ca 0.14 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2grg n GLY 95 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2grg h ILE 96 N 1.06 1.32 -3.34 -0.61 1.08 -2.00 -3.44 117.51 111.58 2grg h ILE 96 Ca 0.02 -2.56 -0.56 0.00 -0.39 0.00 0.00 64.86 61.37 2grg h ILE 96 Cb 0.98 2.92 -0.05 0.00 -3.07 0.00 0.00 36.82 37.61 2grg h ILE 96 CO 0.16 0.77 0.04 0.28 -0.69 0.00 0.00 178.15 178.70 2grg s THR 97 N -2.74 4.80 0.00 -0.27 -1.32 -1.24 -5.17 115.64 109.70 2grg s THR 97 Ca -0.10 1.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.74 2grg s THR 97 Cb 0.04 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.05 2grg s THR 97 CO 0.92 0.43 0.00 -0.46 -2.21 0.00 0.00 174.62 173.31