#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 0.18 -1.01 2.12 2.47 -1.26 -5.08 119.74 117.16 2grg s LYS 2 Ca 0.00 -0.03 -0.23 0.00 -1.56 0.00 0.00 55.97 54.15 2grg s LYS 2 Cb 0.00 -1.28 0.01 0.00 -1.46 0.00 0.00 37.83 35.11 2grg s LYS 2 CO 0.00 -0.77 1.65 -1.12 0.16 0.00 0.00 175.35 175.27 2grg s SER 3 N 2.25 6.03 -0.59 1.43 0.01 -1.26 -4.93 113.70 116.63 2grg s SER 3 Ca 0.06 -1.28 -0.25 0.00 1.31 0.00 0.00 55.95 55.80 2grg s SER 3 Cb -0.16 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.55 2grg s SER 3 CO -0.18 -1.95 1.01 -0.94 0.41 0.00 0.00 173.24 171.59 2grg s SER 4 N 5.97 6.31 -0.06 2.44 1.04 -1.26 -4.88 113.70 123.26 2grg s SER 4 Ca 0.55 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.63 2grg s SER 4 Cb -0.02 -2.46 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 2grg s SER 4 CO -0.05 -1.36 -0.23 -0.63 0.98 0.00 0.00 173.24 171.95 2grg s ILE 5 N 4.29 1.93 0.74 -1.02 1.01 -1.26 -4.54 121.20 122.35 2grg s ILE 5 Ca 0.31 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2grg s ILE 5 Cb -0.12 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.75 2grg s ILE 5 CO 0.18 0.54 1.09 -2.16 0.00 0.00 0.00 174.94 174.59 2grg s PRO 6 N -0.07 2.47 0.50 2.79 0.04 -1.26 -1.72 135.00 137.75 2grg s PRO 6 Ca -0.05 1.15 0.18 0.00 0.04 0.00 0.00 61.00 62.32 2grg s PRO 6 Cb -0.14 -1.92 1.26 0.00 0.04 0.00 0.00 34.50 33.73 2grg s PRO 6 CO 0.04 -1.47 2.11 0.97 0.04 0.00 0.00 177.00 178.68 2grg h ILE 7 N -0.88 0.97 -0.04 0.56 6.09 -1.90 -1.79 117.51 120.52 2grg h ILE 7 Ca -0.44 -0.22 0.01 0.00 -1.37 0.00 0.00 64.86 62.84 2grg h ILE 7 Cb 1.23 1.12 -0.00 0.00 0.47 0.00 0.00 36.82 39.64 2grg h ILE 7 CO 0.53 0.06 0.05 0.00 -3.07 0.00 0.00 178.15 175.72 2grg h THR 8 N 0.00 0.48 0.00 2.19 1.03 -1.92 0.10 112.91 114.80 2grg h THR 8 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.05 2grg h THR 8 Cb 0.12 0.96 -0.06 0.00 -1.07 0.00 0.00 68.15 68.09 2grg h THR 8 CO 0.01 0.00 -2.34 -0.62 -0.01 0.00 0.00 175.52 172.56 2grg n GLU 9 N -3.79 0.62 0.06 0.00 -0.58 -0.72 -4.52 120.64 111.71 2grg n GLU 9 Ca -0.02 0.13 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 2grg n GLU 9 Cb 0.14 -1.47 0.12 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.00 1.36 0.28 2.62 2.07 -1.10 -2.88 116.25 118.60 2grg h VAL 10 Ca -0.53 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 2grg h VAL 10 Cb 1.84 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.47 2grg h VAL 10 CO -0.07 0.56 -0.43 0.25 0.02 0.00 0.00 177.57 177.90 2grg h LEU 11 N 0.25 -1.22 -1.33 2.57 5.85 -1.04 0.14 115.31 120.53 2grg h LEU 11 Ca 0.00 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2grg h LEU 11 Cb 1.06 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2grg h LEU 11 CO 0.09 -0.51 -0.15 1.55 -0.34 0.00 0.00 178.44 179.08 2grg h PRO 12 N -0.74 0.26 -0.00 5.25 0.13 -1.80 -2.61 132.00 132.49 2grg h PRO 12 Ca -0.03 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2grg h PRO 12 Cb 0.68 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2grg h PRO 12 CO -0.13 0.42 -0.02 0.54 -0.23 0.00 0.00 178.00 178.57 2grg n ARG 13 N -4.24 1.06 -3.15 0.86 1.74 -1.03 -4.85 116.66 107.04 2grg n ARG 13 Ca -0.01 -0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 56.47 2grg n ARG 13 Cb 0.29 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.14 3.39 0.00 7.54 0.00 0.45 -4.27 121.76 126.74 2grg s ALA 14 Ca 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2grg s ALA 14 Cb 0.21 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.67 2grg s ALA 14 CO 0.39 0.30 0.76 1.33 0.00 0.00 0.00 175.76 178.54 2grg n VAL 15 N -0.52 0.54 -3.50 0.00 0.24 0.15 -4.95 118.33 110.29 2grg n VAL 15 Ca 0.02 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.44 2grg n VAL 15 Cb 0.53 0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.54 -0.50 -0.17 7.63 0.00 -0.87 -0.48 107.32 112.38 2grg s GLY 16 Ca 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 44.72 45.78 2grg s GLY 16 CO 0.00 0.64 0.44 -0.56 0.00 0.00 0.00 173.10 173.63 2grg s SER 17 N -1.83 -0.51 -0.23 1.64 0.01 0.61 0.49 113.70 113.87 2grg s SER 17 Ca -0.03 0.93 -0.04 0.00 1.31 0.00 0.00 55.95 58.12 2grg s SER 17 Cb -0.01 0.88 -0.01 0.00 0.21 0.00 0.00 66.02 67.10 2grg s SER 17 CO -0.01 -0.18 -0.02 -0.76 0.41 0.00 0.00 173.24 172.68 2grg s LEU 18 N 0.82 3.06 -0.36 2.44 1.43 0.82 -0.76 118.68 126.12 2grg s LEU 18 Ca -0.05 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 2grg s LEU 18 Cb -0.06 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2grg s LEU 18 CO -0.06 -0.05 0.64 -0.89 0.23 0.00 0.00 176.35 176.22 2grg s THR 19 N 1.48 4.88 0.13 5.49 2.01 0.61 -0.51 115.64 129.73 2grg s THR 19 Ca 0.05 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.67 2grg s THR 19 Cb -0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2grg s THR 19 CO -0.02 -0.34 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.19 2grg s PHE 20 N 2.73 2.88 0.79 4.92 0.40 0.18 0.49 117.98 130.38 2grg s PHE 20 Ca 0.24 -0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.37 2grg s PHE 20 Cb -0.14 -1.45 0.08 0.00 0.51 0.00 0.00 43.02 42.01 2grg s PHE 20 CO 0.15 0.49 1.14 0.34 0.70 0.00 0.00 175.22 178.04 2grg s ASP 21 N -2.57 4.56 0.54 1.36 2.15 0.18 -1.85 116.67 121.04 2grg s ASP 21 Ca 0.26 0.71 0.29 0.00 0.43 0.00 0.00 52.55 54.23 2grg s ASP 21 Cb -0.11 -1.23 1.56 0.00 -0.30 0.00 0.00 42.92 42.85 2grg s ASP 21 CO 0.18 -1.85 2.11 1.05 -0.17 0.00 0.00 175.17 176.49 2grg h GLU 22 N -0.96 0.00 -0.45 4.34 4.11 -1.89 0.27 114.58 119.99 2grg h GLU 22 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2grg h GLU 22 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2grg h GLU 22 CO 0.65 0.09 0.00 0.09 0.07 0.00 0.00 179.01 179.91 2grg n ASN 23 N -3.59 2.05 -1.77 3.06 3.02 -1.26 -4.90 115.26 111.88 2grg n ASN 23 Ca -0.02 -2.10 -0.16 0.00 -0.03 0.00 0.00 54.58 52.27 2grg n ASN 23 Cb 0.21 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.39 -0.67 -3.70 3.10 4.01 0.94 -5.00 117.16 116.23 2grg n TYR 24 Ca 0.11 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.48 2grg n TYR 24 Cb 0.37 -3.24 -0.06 0.00 -0.31 0.00 0.00 39.34 36.10 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 -2.34 6.59 0.07 7.72 0.01 -1.25 -4.75 114.94 120.98 2grg s ASN 25 Ca 0.00 0.70 -0.31 0.00 -0.71 0.00 0.00 52.86 52.54 2grg s ASN 25 Cb 0.00 -2.16 -0.08 0.00 0.41 0.00 0.00 41.25 39.42 2grg s ASN 25 CO 0.00 0.36 1.63 -0.22 -1.51 0.00 0.00 177.10 177.36 2grg s LEU 26 N -1.02 4.36 -0.18 0.60 2.96 -1.26 0.49 118.68 124.64 2grg s LEU 26 Ca 0.19 2.46 -0.11 0.00 -0.22 0.00 0.00 54.13 56.45 2grg s LEU 26 Cb -0.14 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 2grg s LEU 26 CO 0.08 -0.87 -0.26 0.18 -1.32 0.00 0.00 176.35 174.16 2grg n LEU 27 N 5.53 1.53 -4.00 -0.68 4.77 0.18 -4.88 117.00 119.44 2grg n LEU 27 Ca 0.16 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 2grg n LEU 27 Cb 0.41 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 2grg n LEU 27 CO 0.62 0.18 -0.38 -0.62 -1.33 0.00 0.00 177.39 175.86 2grg s ASP 28 N -6.57 0.51 -0.17 -1.43 2.15 -0.80 -4.99 116.67 105.37 2grg s ASP 28 Ca -0.27 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.29 2grg s ASP 28 Cb 0.09 0.04 0.04 0.00 -0.30 0.00 0.00 42.92 42.79 2grg s ASP 28 CO 0.35 -0.19 -0.09 -0.89 -0.17 0.00 0.00 175.17 174.18 2grg s THR 29 N -1.12 1.41 0.14 1.71 2.01 -1.26 -0.28 115.64 118.24 2grg s THR 29 Ca -0.10 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.22 2grg s THR 29 Cb -0.08 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2grg s THR 29 CO -0.00 0.25 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.62 2grg s SER 30 N 1.52 1.85 0.43 3.53 0.01 0.06 -4.77 113.70 116.34 2grg s SER 30 Ca 0.02 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2grg s SER 30 Cb -0.15 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2grg s SER 30 CO -0.09 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2grg n GLY 31 N 0.11 -0.13 0.30 3.44 0.00 -1.26 -0.28 105.19 107.37 2grg n GLY 31 Ca -0.12 -1.00 0.20 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.11 -2.01 116.25 116.81 2grg h VAL 32 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2grg h VAL 32 Cb 0.00 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2grg h VAL 32 CO 0.00 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.63 2grg h ALA 33 N 2.01 1.03 -0.17 1.67 0.00 -1.79 -0.44 119.26 121.57 2grg h ALA 33 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2grg h ALA 33 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2grg h ALA 33 CO 0.00 -0.03 -0.59 0.87 0.00 0.00 0.00 179.25 179.49 2grg h LYS 34 N 0.00 0.55 0.00 0.00 1.57 -1.53 -3.19 116.57 113.97 2grg h LYS 34 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2grg h LYS 34 Cb 0.08 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2grg h LYS 34 CO 0.00 0.98 -1.16 1.33 -0.57 0.00 0.00 179.45 180.04 2grg n VAL 35 N -3.94 0.34 -2.31 0.50 0.24 -0.25 -4.88 118.33 108.03 2grg n VAL 35 Ca -0.04 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 2grg n VAL 35 Cb 0.63 -0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 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 -3.32 3.32 0.30 1.34 1.01 -0.73 -4.98 121.20 118.13 2grg s ILE 36 Ca 0.00 1.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 2grg s ILE 36 Cb 0.12 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 2grg s ILE 36 CO 0.81 0.22 1.30 -1.83 0.00 0.00 0.00 174.94 175.43 2grg s GLU 37 N -0.69 4.38 -0.93 2.79 -1.05 -1.26 -4.93 118.70 117.01 2grg s GLU 37 Ca 0.52 2.15 -0.21 0.00 -0.15 0.00 0.00 54.97 57.28 2grg s GLU 37 Cb -0.35 -3.11 0.09 0.00 -0.44 0.00 0.00 34.13 30.33 2grg s GLU 37 CO 0.41 -0.18 1.25 0.15 0.95 0.00 0.00 175.26 177.83 2grg s LYS 38 N -1.35 3.54 0.93 -4.83 3.01 -1.26 -5.00 119.74 114.77 2grg s LYS 38 Ca 0.51 -1.36 -0.15 0.00 -1.01 0.00 0.00 55.97 53.95 2grg s LYS 38 Cb -0.39 -5.00 0.18 0.00 -1.01 0.00 0.00 37.83 31.62 2grg s LYS 38 CO 0.48 -1.96 1.29 -1.54 0.51 0.00 0.00 175.35 174.13 2grg s SER 39 N 4.16 3.37 -0.33 2.83 1.04 -1.26 -4.90 113.70 118.62 2grg s SER 39 Ca 0.37 0.31 -0.03 0.00 0.48 0.00 0.00 55.95 57.08 2grg s SER 39 Cb -0.04 -0.43 -0.06 0.00 0.10 0.00 0.00 66.02 65.59 2grg s SER 39 CO -0.07 -2.57 1.67 -2.65 0.98 0.00 0.00 173.24 170.60 2grg n PRO 40 N -3.66 1.06 0.02 4.02 -0.02 -1.26 -4.51 135.00 130.66 2grg n PRO 40 Ca 0.14 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.84 2grg n PRO 40 Cb 0.60 -2.02 0.32 0.00 -0.02 0.00 0.00 33.50 32.37 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 3.21 1.19 -0.75 4.25 2.04 -1.94 -2.39 117.51 123.12 2grg h ILE 41 Ca 0.21 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.38 2grg h ILE 41 Cb 0.29 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2grg h ILE 41 CO 0.90 0.26 0.49 0.00 0.00 0.00 0.00 178.15 179.80 2grg h ALA 42 N 1.54 1.73 -0.60 1.87 0.00 -1.88 0.40 119.26 122.32 2grg h ALA 42 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2grg h ALA 42 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2grg h ALA 42 CO 0.01 0.14 0.16 1.49 0.00 0.00 0.00 179.25 181.05 2grg h GLU 43 N 0.74 0.92 0.00 0.00 4.57 -1.81 -2.13 114.58 116.87 2grg h GLU 43 Ca 0.33 -0.19 -0.16 0.00 -1.18 0.00 0.00 59.36 58.16 2grg h GLU 43 Cb 0.33 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2grg h GLU 43 CO -0.12 0.81 -0.81 0.82 -1.18 0.00 0.00 179.01 178.53 2grg h ILE 44 N 0.88 1.28 -0.34 2.32 1.08 -0.93 -2.88 117.51 118.93 2grg h ILE 44 Ca 0.19 -2.83 -0.01 0.00 -0.39 0.00 0.00 64.86 61.82 2grg h ILE 44 Cb 0.30 2.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 2grg h ILE 44 CO -0.00 0.73 0.18 0.40 -0.69 0.00 0.00 178.15 178.76 2grg h ILE 45 N 0.00 1.14 -0.54 -0.67 2.04 0.15 0.22 117.51 119.85 2grg h ILE 45 Ca -0.02 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.34 2grg h ILE 45 Cb 1.60 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2grg h ILE 45 CO 0.10 0.15 -0.11 0.08 0.00 0.00 0.00 178.15 178.36 2grg h ARG 46 N 0.42 1.03 0.00 2.37 0.11 -1.44 0.22 114.38 117.09 2grg h ARG 46 Ca 0.12 -0.38 0.01 0.00 0.10 0.00 0.00 59.98 59.83 2grg h ARG 46 Cb 0.08 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 2grg h ARG 46 CO -0.02 1.07 -0.08 0.87 0.10 0.00 0.00 179.97 181.91 2grg h LYS 47 N 0.91 -0.14 0.00 0.08 1.57 -1.27 -1.93 116.57 115.79 2grg h LYS 47 Ca 0.14 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2grg h LYS 47 Cb 0.68 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2grg h LYS 47 CO 0.05 -0.09 -0.05 0.77 -0.57 0.00 0.00 179.45 179.55 2grg h SER 48 N -0.15 0.00 -0.21 0.86 0.02 -0.31 -2.09 113.55 111.67 2grg h SER 48 Ca 0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 2grg h SER 48 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2grg h SER 48 CO -0.08 0.05 -0.18 -1.13 -1.14 0.00 0.00 176.83 174.34 2grg h ASN 49 N 0.00 0.65 1.14 3.07 -1.24 0.24 -0.90 115.58 118.53 2grg h ASN 49 Ca -0.00 -0.21 -0.18 0.00 0.71 0.00 0.00 56.30 56.62 2grg h ASN 49 Cb 0.41 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 2grg h ASN 49 CO 0.01 0.84 -0.87 0.00 -1.29 0.00 0.00 177.43 176.11 2grg h ALA 50 N 1.22 0.48 -0.16 1.57 0.00 -1.10 -3.33 119.26 117.93 2grg h ALA 50 Ca 0.09 -0.78 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 2grg h ALA 50 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2grg h ALA 50 CO 0.05 1.05 -0.69 0.93 0.00 0.00 0.00 179.25 180.58 2grg h GLU 51 N 0.00 0.68 -4.88 0.00 4.39 -1.06 -3.48 114.58 110.23 2grg h GLU 51 Ca -0.02 -0.51 -0.45 0.00 0.34 0.00 0.00 59.36 58.72 2grg h GLU 51 Cb 1.65 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 30.26 2grg h GLU 51 CO 0.10 1.13 -0.51 -0.48 -1.16 0.00 0.00 179.01 178.09 2grg s LEU 52 N -8.34 1.69 0.00 1.33 0.05 -0.38 -5.09 118.68 107.96 2grg s LEU 52 Ca -0.09 -1.70 0.00 0.00 0.05 0.00 0.00 54.13 52.39 2grg s LEU 52 Cb 0.10 0.47 0.00 0.00 -2.05 0.00 0.00 46.19 44.71 2grg s LEU 52 CO 0.88 -1.02 0.00 0.61 -0.55 0.00 0.00 176.35 176.27 2grg n GLY 53 N -0.60 -0.00 0.00 -3.48 0.00 -1.26 -4.64 105.19 95.20 2grg n GLY 53 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.97 0.01 -2.37 1.61 3.00 -1.26 -3.98 116.66 110.70 2grg n ARG 54 Ca 0.00 -0.46 -0.24 0.00 -0.00 0.00 0.00 57.85 57.15 2grg n ARG 54 Cb 0.43 -0.77 0.07 0.00 0.00 0.00 0.00 32.46 32.19 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 -0.13 2.97 -0.46 6.15 1.43 -1.26 -3.22 118.68 124.15 2grg s LEU 55 Ca 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2grg s LEU 55 Cb 0.00 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.47 2grg s LEU 55 CO 0.00 -1.53 0.23 -0.83 0.23 0.00 0.00 176.35 174.45 2grg s GLY 56 N -4.53 2.19 0.14 -3.19 0.00 -0.70 -4.49 107.32 96.74 2grg s GLY 56 Ca 0.61 -2.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.17 2grg s GLY 56 CO 0.43 1.02 1.12 -0.47 0.00 0.00 0.00 173.10 175.20 2grg s TYR 57 N 0.52 3.55 -0.34 1.90 5.04 -1.24 -4.49 117.35 122.29 2grg s TYR 57 Ca 0.13 1.53 -0.28 0.00 -2.44 0.00 0.00 57.07 56.00 2grg s TYR 57 Cb -0.22 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 38.77 2grg s TYR 57 CO -0.04 -0.76 1.77 -1.12 -1.34 0.00 0.00 175.55 174.05 2grg s SER 58 N 0.24 5.91 -0.18 4.32 0.01 -1.26 -1.37 113.70 121.38 2grg s SER 58 Ca 0.52 1.24 0.05 0.00 1.31 0.00 0.00 55.95 59.07 2grg s SER 58 Cb -0.29 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.19 2grg s SER 58 CO 0.33 -1.70 0.12 1.33 0.41 0.00 0.00 173.24 173.73 2grg n VAL 59 N 7.38 1.55 -3.74 3.43 0.24 0.53 -4.85 118.33 122.88 2grg n VAL 59 Ca 0.22 -0.70 -0.29 0.00 -2.04 0.00 0.00 64.34 61.54 2grg n VAL 59 Cb 0.47 -1.20 -0.16 0.00 -1.47 0.00 0.00 33.84 31.48 2grg n VAL 59 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2grg s TYR 60 N -2.53 1.40 -0.30 6.34 5.04 -1.15 -4.99 117.35 121.15 2grg s TYR 60 Ca -0.21 -1.33 -0.12 0.00 -2.44 0.00 0.00 57.07 52.97 2grg s TYR 60 Cb 0.08 -1.37 -0.04 0.00 0.35 0.00 0.00 41.96 40.97 2grg s TYR 60 CO 0.73 -0.76 0.21 -2.00 -1.34 0.00 0.00 175.55 172.39 2grg s GLU 61 N 1.73 3.76 0.35 4.97 2.12 -1.26 0.56 118.70 130.93 2grg s GLU 61 Ca 0.04 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 55.00 2grg s GLU 61 Cb -0.17 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 2grg s GLU 61 CO -0.18 -0.29 0.16 0.34 -0.54 0.00 0.00 175.26 174.75 2grg s ASP 62 N 1.74 4.68 0.54 -1.70 2.15 0.13 -5.01 116.67 119.22 2grg s ASP 62 Ca 0.07 -0.79 0.31 0.00 0.43 0.00 0.00 52.55 52.57 2grg s ASP 62 Cb -0.17 -0.71 1.52 0.00 -0.30 0.00 0.00 42.92 43.27 2grg s ASP 62 CO 0.11 -0.33 2.07 0.00 -0.17 0.00 0.00 175.17 176.84 2grg h ALA 63 N 1.51 1.14 0.00 3.66 0.00 -2.03 -3.20 119.26 120.34 2grg h ALA 63 Ca -0.44 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 2grg h ALA 63 Cb 1.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2grg h ALA 63 CO 0.63 0.11 -1.72 1.04 0.00 0.00 0.00 179.25 179.31 2grg n GLN 64 N -3.39 0.57 -4.23 0.00 6.02 -1.26 -4.99 117.38 110.10 2grg n GLN 64 Ca -0.01 0.46 -0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2grg n GLN 64 Cb 0.25 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.76 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 -2.42 1.18 -0.09 1.08 2.02 -1.21 -3.54 117.35 114.37 2grg s TYR 65 Ca -0.32 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.44 2grg s TYR 65 Cb 0.09 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 41.01 2grg s TYR 65 CO 0.54 -0.13 -0.07 0.42 -1.57 0.00 0.00 175.55 174.75 2grg s ILE 66 N -3.57 0.92 0.06 2.71 1.01 0.12 0.22 121.20 122.67 2grg s ILE 66 Ca 0.20 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 2grg s ILE 66 Cb 0.05 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 2grg s ILE 66 CO 0.02 0.34 0.44 -0.83 0.00 0.00 0.00 174.94 174.90 2grg s GLY 67 N 1.46 2.43 -0.07 6.18 0.00 0.19 -0.34 107.32 117.17 2grg s GLY 67 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.49 2grg s GLY 67 CO -0.05 0.05 -0.13 0.30 0.00 0.00 0.00 173.10 173.27 2grg s HIS 68 N -1.27 1.59 -0.17 1.90 0.09 0.44 -0.35 115.29 117.52 2grg s HIS 68 Ca 0.30 -0.62 -0.25 0.00 -0.00 0.00 0.00 55.06 54.49 2grg s HIS 68 Cb -0.15 -1.16 -0.01 0.00 -0.00 0.00 0.00 32.58 31.25 2grg s HIS 68 CO 0.16 -0.32 0.84 0.00 -0.00 0.00 0.00 174.74 175.43 2grg s ALA 69 N 0.71 3.52 -0.01 -1.40 0.00 -0.47 -0.58 121.76 123.53 2grg s ALA 69 Ca -0.13 0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.93 2grg s ALA 69 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2grg s ALA 69 CO 0.03 -0.65 -0.19 -0.06 0.00 0.00 0.00 175.76 174.89 2grg s PHE 70 N 2.16 2.55 -0.16 0.00 0.40 0.90 -3.70 117.98 120.12 2grg s PHE 70 Ca 0.39 -0.27 -0.25 0.00 -0.60 0.00 0.00 56.93 56.19 2grg s PHE 70 Cb -0.17 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 2grg s PHE 70 CO 0.12 0.14 0.82 0.15 0.70 0.00 0.00 175.22 177.16 2grg s LYS 71 N -0.90 4.30 0.35 0.44 3.01 -1.26 -1.37 119.74 124.32 2grg s LYS 71 Ca 0.12 1.01 0.02 0.00 -1.01 0.00 0.00 55.97 56.10 2grg s LYS 71 Cb -0.10 -3.57 0.02 0.00 -1.01 0.00 0.00 37.83 33.17 2grg s LYS 71 CO 0.01 -0.31 0.15 1.63 0.51 0.00 0.00 175.35 177.35 2grg n LYS 72 N 5.15 1.06 -1.73 1.68 4.76 0.11 -4.84 118.16 124.35 2grg n LYS 72 Ca 0.04 -2.31 -0.26 0.00 -2.87 0.00 0.00 58.31 52.90 2grg n LYS 72 Cb 0.49 0.41 -0.05 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 -2.54 1.38 0.00 7.82 0.00 -1.26 -2.55 121.76 124.61 2grg s ALA 73 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2grg s ALA 73 Cb -0.01 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2grg s ALA 73 CO 0.07 -4.97 0.00 0.41 0.00 0.00 0.00 175.76 171.27 2grg n GLY 74 N 6.41 0.70 3.30 0.00 0.00 -1.26 -4.95 105.19 109.40 2grg n GLY 74 Ca 0.38 0.00 -0.14 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 -3.08 1.23 -0.07 1.61 4.02 -1.06 -4.12 115.29 113.81 2grg s HIS 75 Ca 0.00 -1.38 0.04 0.00 1.02 0.00 0.00 55.06 54.74 2grg s HIS 75 Cb 0.00 -0.47 0.00 0.00 -1.02 0.00 0.00 32.58 31.10 2grg s HIS 75 CO 0.00 -0.80 -0.19 -0.06 1.02 0.00 0.00 174.74 174.71 2grg s PHE 76 N -3.82 2.03 -0.03 1.40 0.08 -0.77 0.06 117.98 116.93 2grg s PHE 76 Ca 0.37 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.69 2grg s PHE 76 Cb 0.04 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2grg s PHE 76 CO 0.17 -0.30 -0.07 0.42 -0.10 0.00 0.00 175.22 175.34 2grg s ILE 77 N 0.33 0.64 -0.31 0.64 1.01 -0.47 0.51 121.20 123.56 2grg s ILE 77 Ca -0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2grg s ILE 77 Cb -0.16 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 2grg s ILE 77 CO 0.05 0.21 0.14 -0.69 0.00 0.00 0.00 174.94 174.66 2grg s VAL 78 N 0.30 4.53 -0.25 2.92 1.01 0.33 -0.07 120.40 129.17 2grg s VAL 78 Ca -0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2grg s VAL 78 Cb -0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2grg s VAL 78 CO 0.00 0.07 0.30 -0.31 0.00 0.00 0.00 175.10 175.17 2grg s TYR 79 N 1.60 3.28 -0.28 5.22 1.51 0.26 -0.13 117.35 128.81 2grg s TYR 79 Ca 0.04 0.35 -0.15 0.00 -1.01 0.00 0.00 57.07 56.31 2grg s TYR 79 Cb -0.17 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2grg s TYR 79 CO 0.06 -0.12 0.38 -0.06 -1.11 0.00 0.00 175.55 174.70 2grg s PHE 80 N 1.66 3.24 0.15 2.71 0.40 0.18 -0.42 117.98 125.90 2grg s PHE 80 Ca 0.13 0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2grg s PHE 80 Cb -0.15 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 2grg s PHE 80 CO 0.09 -0.26 0.07 0.95 0.70 0.00 0.00 175.22 176.77 2grg s THR 81 N 2.08 4.21 -0.87 0.64 -4.23 0.54 0.33 115.64 118.33 2grg s THR 81 Ca 0.15 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 2grg s THR 81 Cb -0.16 -3.11 -0.09 0.00 1.34 0.00 0.00 72.50 70.48 2grg s THR 81 CO 0.10 -0.06 2.04 -0.81 -0.54 0.00 0.00 174.62 175.35 2grg n PRO 82 N -0.10 1.87 -3.80 3.99 -0.04 -1.26 0.11 135.00 135.77 2grg n PRO 82 Ca -0.09 -1.62 -0.25 0.00 -0.04 0.00 0.00 63.50 61.50 2grg n PRO 82 Cb 0.54 -2.64 0.01 0.00 -0.04 0.00 0.00 33.50 31.37 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 5.30 -3.35 -2.29 0.54 5.02 -1.23 -4.87 118.16 117.27 2grg n LYS 83 Ca 0.46 0.50 -0.39 0.00 -2.02 0.00 0.00 58.31 56.86 2grg n LYS 83 Cb 0.24 -4.68 -0.03 0.00 -0.02 0.00 0.00 35.03 30.54 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 -4.16 5.72 0.23 4.39 3.84 -1.26 -4.90 114.94 118.81 2grg s ASN 84 Ca 0.11 -0.18 -0.16 0.00 0.21 0.00 0.00 52.86 52.84 2grg s ASN 84 Cb -0.04 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.13 2grg s ASN 84 CO 0.85 -2.12 0.54 -1.59 -2.79 0.00 0.00 177.10 172.00 2grg s LYS 85 N 6.35 1.53 0.00 0.43 -2.85 -1.26 -4.99 119.74 118.95 2grg s LYS 85 Ca 0.52 -1.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.42 2grg s LYS 85 Cb -0.09 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2grg s LYS 85 CO 0.15 -0.65 0.00 -1.71 0.10 0.00 0.00 175.35 173.23 2grg n ASN 86 N -0.38 0.00 -4.56 0.03 5.15 -1.26 -4.77 115.26 109.47 2grg n ASN 86 Ca -0.05 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.52 2grg n ASN 86 Cb 0.61 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.84 2grg n ASN 86 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2grg s ARG 87 N 0.00 3.24 -0.43 1.20 3.52 -1.26 -4.96 118.95 120.26 2grg s ARG 87 Ca 0.00 0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 2grg s ARG 87 Cb 0.00 -4.15 0.01 0.00 -1.56 0.00 0.00 34.95 29.25 2grg s ARG 87 CO 0.00 -2.06 1.39 -2.00 -0.81 0.00 0.00 175.30 171.83 2grg s GLU 88 N 5.63 3.56 0.00 5.12 2.12 -1.26 -4.95 118.70 128.92 2grg s GLU 88 Ca 0.42 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.62 2grg s GLU 88 Cb -0.09 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2grg s GLU 88 CO 0.19 -1.59 0.00 0.41 -0.54 0.00 0.00 175.26 173.74 2grg n GLY 89 N 5.08 1.45 3.34 -1.50 0.00 -1.26 -4.85 105.19 107.45 2grg n GLY 89 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.48 -0.06 1.61 1.01 -1.26 -5.07 120.40 121.10 2grg s VAL 90 Ca 0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 2grg s VAL 90 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2grg s VAL 90 CO 0.00 -0.33 0.59 0.54 0.00 0.00 0.00 175.10 175.90 2grg s VAL 91 N 1.51 5.05 0.93 2.92 0.11 -1.26 -4.74 120.40 124.92 2grg s VAL 91 Ca 0.02 1.22 -0.14 0.00 -2.93 0.00 0.00 61.98 60.15 2grg s VAL 91 Cb -0.21 -3.93 0.18 0.00 -1.53 0.00 0.00 36.38 30.89 2grg s VAL 91 CO 0.05 0.33 1.28 -2.16 -3.33 0.00 0.00 175.10 171.27 2grg s PRO 92 N 0.42 0.86 0.66 1.54 0.04 -1.26 -5.04 135.00 132.22 2grg s PRO 92 Ca 0.32 -0.42 -0.17 0.00 0.04 0.00 0.00 61.00 60.77 2grg s PRO 92 Cb -0.17 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2grg s PRO 92 CO 0.15 -2.25 0.94 -2.30 0.04 0.00 0.00 177.00 173.59 2grg n PRO 93 N -3.64 0.70 -0.08 0.56 -0.02 -1.26 -4.92 135.00 126.33 2grg n PRO 93 Ca 0.14 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 2grg n PRO 93 Cb 0.60 -2.18 0.13 0.00 -0.02 0.00 0.00 33.50 32.04 2grg n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2grg h VAL 94 N 0.11 1.26 0.00 -1.45 2.07 -2.01 -3.44 116.25 112.79 2grg h VAL 94 Ca -0.48 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2grg h VAL 94 Cb 1.35 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2grg h VAL 94 CO 0.49 0.40 0.00 0.61 0.02 0.00 0.00 177.57 179.09 2grg n GLY 95 N -0.43 -0.35 3.54 2.17 0.00 -1.26 -5.09 105.19 103.78 2grg n GLY 95 Ca 0.01 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2grg n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grg s ILE 96 N 0.00 3.96 -0.23 -0.61 1.01 -1.26 -4.88 121.20 119.20 2grg s ILE 96 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 2grg s ILE 96 Cb 0.00 -4.98 0.16 0.00 0.01 0.00 0.00 42.46 37.65 2grg s ILE 96 CO 0.00 -1.86 1.19 0.28 0.00 0.00 0.00 174.94 174.55 2grg s THR 97 N 4.91 0.00 0.00 2.92 -1.32 -1.26 -5.15 115.64 115.74 2grg s THR 97 Ca 0.41 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 2grg s THR 97 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2grg s THR 97 CO -0.03 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.92