#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg n LYS 2 N 0.00 -3.56 -0.16 0.03 3.00 -1.26 -4.82 118.16 111.39 2grg n LYS 2 Ca 0.00 2.74 -0.01 0.00 -0.00 0.00 0.00 58.31 61.03 2grg n LYS 2 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 35.03 31.69 2grg n LYS 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2grg n SER 3 N 1.25 2.47 -4.32 3.14 7.64 -1.26 -4.66 113.62 117.88 2grg n SER 3 Ca 0.00 -2.19 -0.44 0.00 1.01 0.00 0.00 58.87 57.25 2grg n SER 3 Cb 0.00 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.31 6.02 -0.06 6.43 0.01 -1.25 -2.55 113.70 122.60 2grg s SER 4 Ca 0.08 -1.57 -0.02 0.00 1.31 0.00 0.00 55.95 55.76 2grg s SER 4 Cb 0.07 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2grg s SER 4 CO 0.02 -0.70 0.04 -0.63 0.41 0.00 0.00 173.24 172.38 2grg s ILE 5 N 1.56 4.54 0.60 1.44 1.01 -0.59 -4.58 121.20 125.17 2grg s ILE 5 Ca 0.04 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 2grg s ILE 5 Cb -0.26 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2grg s ILE 5 CO 0.04 0.51 1.24 -2.16 0.00 0.00 0.00 174.94 174.57 2grg s PRO 6 N -1.20 2.92 0.44 2.79 0.04 -1.26 -0.03 135.00 138.70 2grg s PRO 6 Ca 0.17 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.34 2grg s PRO 6 Cb -0.12 -1.95 0.97 0.00 0.04 0.00 0.00 34.50 33.44 2grg s PRO 6 CO 0.06 -1.27 1.86 0.97 0.04 0.00 0.00 177.00 178.66 2grg h ILE 7 N 0.88 0.67 -0.01 0.56 6.09 -1.93 -2.23 117.51 121.54 2grg h ILE 7 Ca -0.51 -1.10 0.00 0.00 -1.37 0.00 0.00 64.86 61.88 2grg h ILE 7 Cb 1.31 1.71 -0.00 0.00 0.47 0.00 0.00 36.82 40.31 2grg h ILE 7 CO 0.55 0.24 0.02 0.00 -3.07 0.00 0.00 178.15 175.89 2grg h THR 8 N 0.00 0.29 0.00 2.19 1.03 -1.95 0.27 112.91 114.74 2grg h THR 8 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 66.41 65.99 2grg h THR 8 Cb 0.69 0.99 -0.06 0.00 -1.07 0.00 0.00 68.15 68.70 2grg h THR 8 CO 0.03 0.00 -2.23 -0.62 -0.01 0.00 0.00 175.52 172.69 2grg n GLU 9 N -3.50 0.59 -0.12 0.00 -0.58 -0.88 -4.57 120.64 111.59 2grg n GLU 9 Ca -0.03 0.33 -0.10 0.00 -0.42 0.00 0.00 57.16 56.94 2grg n GLU 9 Cb 0.09 -1.56 0.04 0.00 -0.57 0.00 0.00 31.44 29.44 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 -0.89 1.27 0.30 2.62 2.07 -1.16 -2.85 116.25 117.61 2grg h VAL 10 Ca -0.61 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 2grg h VAL 10 Cb 1.58 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 2grg h VAL 10 CO -0.34 0.48 -0.46 0.25 0.02 0.00 0.00 177.57 177.52 2grg h LEU 11 N 0.76 -1.30 -1.19 2.57 5.85 -0.73 0.35 115.31 121.62 2grg h LEU 11 Ca 0.09 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2grg h LEU 11 Cb 0.81 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2grg h LEU 11 CO 0.07 -0.55 -0.13 1.55 -0.34 0.00 0.00 178.44 179.04 2grg h PRO 12 N -0.79 0.41 -0.54 5.25 0.13 -1.78 -2.79 132.00 131.89 2grg h PRO 12 Ca -0.03 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2grg h PRO 12 Cb 0.73 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2grg h PRO 12 CO -0.14 0.54 0.00 0.54 -0.23 0.00 0.00 178.00 178.71 2grg n ARG 13 N -4.22 2.23 -3.52 0.86 1.74 -1.03 -4.87 116.66 107.85 2grg n ARG 13 Ca 0.00 -1.33 -0.33 0.00 -0.77 0.00 0.00 57.85 55.42 2grg n ARG 13 Cb 0.31 -1.52 -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 -1.66 3.67 -0.23 7.54 0.00 0.08 -4.17 121.76 127.00 2grg s ALA 14 Ca 0.24 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2grg s ALA 14 Cb 0.15 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.97 2grg s ALA 14 CO 0.12 0.56 0.63 1.33 0.00 0.00 0.00 175.76 178.40 2grg n VAL 15 N 0.31 0.15 -3.63 0.00 0.24 0.13 -4.96 118.33 110.57 2grg n VAL 15 Ca -0.03 -0.57 -0.07 0.00 -2.04 0.00 0.00 64.34 61.63 2grg n VAL 15 Cb 0.52 0.96 -0.02 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 -0.28 -0.35 -0.10 7.63 0.00 -0.70 -1.27 107.32 112.25 2grg s GLY 16 Ca 0.02 0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.97 2grg s GLY 16 CO 0.02 0.14 0.55 -1.35 0.00 0.00 0.00 173.10 172.46 2grg s SER 17 N -2.75 -0.52 -0.20 1.64 1.04 0.55 0.16 113.70 113.62 2grg s SER 17 Ca 0.08 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.24 2grg s SER 17 Cb -0.02 0.71 0.04 0.00 0.10 0.00 0.00 66.02 66.85 2grg s SER 17 CO -0.03 -0.43 -0.15 -0.76 0.98 0.00 0.00 173.24 172.85 2grg s LEU 18 N -0.70 2.48 -0.40 2.42 1.43 0.64 -0.72 118.68 123.84 2grg s LEU 18 Ca -0.08 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 51.94 2grg s LEU 18 Cb -0.03 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.79 2grg s LEU 18 CO 0.05 -0.09 0.57 -0.89 0.23 0.00 0.00 176.35 176.22 2grg s THR 19 N 1.28 4.93 0.18 5.49 2.01 0.37 -0.44 115.64 129.46 2grg s THR 19 Ca -0.00 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.24 2grg s THR 19 Cb -0.16 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2grg s THR 19 CO -0.10 -0.41 0.08 -0.36 -0.69 0.00 0.00 174.62 173.14 2grg s PHE 20 N 2.57 3.00 0.68 4.92 0.40 0.17 0.15 117.98 129.87 2grg s PHE 20 Ca 0.20 -0.08 -0.05 0.00 -0.60 0.00 0.00 56.93 56.39 2grg s PHE 20 Cb -0.15 -1.43 0.06 0.00 0.51 0.00 0.00 43.02 42.01 2grg s PHE 20 CO 0.16 0.52 0.98 0.34 0.70 0.00 0.00 175.22 177.92 2grg s ASP 21 N -3.14 4.87 0.46 1.36 2.15 0.16 -2.00 116.67 120.53 2grg s ASP 21 Ca 0.30 0.39 0.31 0.00 0.43 0.00 0.00 52.55 53.97 2grg s ASP 21 Cb -0.09 -1.07 1.40 0.00 -0.30 0.00 0.00 42.92 42.86 2grg s ASP 21 CO 0.21 -1.54 1.93 1.05 -0.17 0.00 0.00 175.17 176.66 2grg h GLU 22 N -0.51 0.00 -0.15 4.34 4.11 -1.89 0.31 114.58 120.79 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 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2grg h GLU 22 CO 0.59 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.76 2grg n ASN 23 N -2.74 1.07 -1.49 3.06 3.02 -1.26 -4.89 115.26 112.03 2grg n ASN 23 Ca 0.00 -1.79 -0.14 0.00 -0.03 0.00 0.00 54.58 52.63 2grg n ASN 23 Cb 0.22 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.00 -0.53 -3.44 3.10 4.01 0.11 -5.00 117.16 115.40 2grg n TYR 24 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2grg n TYR 24 Cb 0.20 -2.89 -0.06 0.00 -0.31 0.00 0.00 39.34 36.28 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 -2.47 6.68 0.01 7.72 0.01 -1.25 -4.77 114.94 120.88 2grg s ASN 25 Ca 0.00 0.80 -0.30 0.00 -0.71 0.00 0.00 52.86 52.65 2grg s ASN 25 Cb 0.00 -2.25 -0.07 0.00 0.41 0.00 0.00 41.25 39.34 2grg s ASN 25 CO 0.00 0.15 1.65 -0.22 -1.51 0.00 0.00 177.10 177.17 2grg s LEU 26 N -0.09 4.35 -0.16 0.60 2.96 -1.26 0.39 118.68 125.46 2grg s LEU 26 Ca 0.23 2.35 -0.13 0.00 -0.22 0.00 0.00 54.13 56.36 2grg s LEU 26 Cb -0.15 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 2grg s LEU 26 CO 0.10 -0.90 -0.28 0.18 -1.32 0.00 0.00 176.35 174.14 2grg n LEU 27 N 6.38 1.67 -4.11 -0.68 4.77 0.12 -4.90 117.00 120.25 2grg n LEU 27 Ca 0.16 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 2grg n LEU 27 Cb 0.42 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 2grg n LEU 27 CO 0.62 -0.04 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.58 2grg s ASP 28 N -6.35 1.37 -0.15 -1.43 2.15 -0.67 -4.99 116.67 106.60 2grg s ASP 28 Ca -0.26 -0.48 -0.01 0.00 0.43 0.00 0.00 52.55 52.24 2grg s ASP 28 Cb 0.07 -0.06 0.04 0.00 -0.30 0.00 0.00 42.92 42.67 2grg s ASP 28 CO 0.36 -0.04 -0.06 -0.89 -0.17 0.00 0.00 175.17 174.37 2grg s THR 29 N -0.99 1.06 0.10 1.71 2.01 -1.26 -0.48 115.64 117.78 2grg s THR 29 Ca -0.02 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.54 2grg s THR 29 Cb -0.08 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2grg s THR 29 CO 0.01 0.19 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.50 2grg s SER 30 N 1.67 2.38 0.47 3.53 0.01 0.10 -4.80 113.70 117.06 2grg s SER 30 Ca 0.02 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2grg s SER 30 Cb -0.14 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2grg s SER 30 CO -0.08 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2grg n GLY 31 N 1.10 0.49 0.25 3.44 0.00 -1.26 -0.33 105.19 108.87 2grg n GLY 31 Ca -0.20 -0.84 0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.52 -2.37 116.25 116.04 2grg h VAL 32 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2grg h VAL 32 Cb 0.00 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 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 2.04 1.00 -0.21 1.67 0.00 -1.80 -1.09 119.26 120.87 2grg h ALA 33 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2grg h ALA 33 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2grg h ALA 33 CO 0.00 0.00 -0.46 0.87 0.00 0.00 0.00 179.25 179.66 2grg h LYS 34 N 0.00 0.68 0.00 0.00 1.57 -1.61 -3.24 116.57 113.97 2grg h LYS 34 Ca 0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2grg h LYS 34 Cb 0.04 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2grg h LYS 34 CO 0.00 1.07 -0.69 -0.39 -0.57 0.00 0.00 179.45 178.87 2grg h VAL 35 N 0.38 0.00 -3.60 0.50 -1.51 -1.45 -3.45 116.25 107.11 2grg h VAL 35 Ca 0.00 -0.73 -0.51 0.00 -1.23 0.00 0.00 66.70 64.23 2grg h VAL 35 Cb 1.07 1.33 0.01 0.00 -2.13 0.00 0.00 31.29 31.57 2grg h VAL 35 CO 0.10 0.00 0.47 -0.63 -1.23 0.00 0.00 177.57 176.28 2grg s ILE 36 N -3.24 3.82 0.46 7.19 1.01 -0.73 -5.01 121.20 124.69 2grg s ILE 36 Ca 0.04 1.61 -0.23 0.00 0.00 0.00 0.00 60.65 62.07 2grg s ILE 36 Cb 0.11 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2grg s ILE 36 CO 0.74 0.30 1.15 -1.83 0.00 0.00 0.00 174.94 175.30 2grg s GLU 37 N -0.55 3.77 -1.09 2.79 -1.05 -1.26 -4.91 118.70 116.40 2grg s GLU 37 Ca 0.48 1.73 -0.16 0.00 -0.15 0.00 0.00 54.97 56.88 2grg s GLU 37 Cb -0.30 -2.39 0.16 0.00 -0.44 0.00 0.00 34.13 31.16 2grg s GLU 37 CO 0.36 -0.53 1.29 0.15 0.95 0.00 0.00 175.26 177.48 2grg s LYS 38 N -2.73 3.88 0.49 -4.83 3.01 -1.26 -5.01 119.74 113.30 2grg s LYS 38 Ca 0.64 -2.25 -0.08 0.00 -1.01 0.00 0.00 55.97 53.26 2grg s LYS 38 Cb -0.27 -4.99 0.12 0.00 -1.01 0.00 0.00 37.83 31.68 2grg s LYS 38 CO 0.33 -1.75 0.58 -1.13 0.51 0.00 0.00 175.35 173.89 2grg n SER 39 N 5.95 -0.47 -2.34 2.83 3.41 -1.26 -4.84 113.62 116.90 2grg n SER 39 Ca 0.31 -1.08 -0.03 0.00 -0.26 0.00 0.00 58.87 57.80 2grg n SER 39 Cb 0.45 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 2grg n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2grg n PRO 40 N -2.55 0.55 -0.15 4.33 -0.04 -1.26 -4.41 135.00 131.46 2grg n PRO 40 Ca 0.07 -0.27 -0.04 0.00 -0.04 0.00 0.00 63.50 63.22 2grg n PRO 40 Cb 0.27 -1.63 0.15 0.00 -0.04 0.00 0.00 33.50 32.25 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 2.68 1.24 -0.91 0.52 2.04 -1.93 -2.88 117.51 118.27 2grg h ILE 41 Ca 0.05 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2grg h ILE 41 Cb 0.42 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2grg h ILE 41 CO 0.41 0.34 0.59 0.00 0.00 0.00 0.00 178.15 179.49 2grg h ALA 42 N 1.26 1.45 -0.59 1.87 0.00 -1.92 0.42 119.26 121.74 2grg h ALA 42 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2grg h ALA 42 Cb 0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2grg h ALA 42 CO 0.01 0.45 0.20 1.49 0.00 0.00 0.00 179.25 181.40 2grg h GLU 43 N 1.11 0.88 0.01 0.00 4.57 -1.88 -2.07 114.58 117.20 2grg h GLU 43 Ca 0.37 -0.16 -0.20 0.00 -1.18 0.00 0.00 59.36 58.20 2grg h GLU 43 Cb 0.06 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2grg h GLU 43 CO -0.12 0.75 -0.92 0.82 -1.18 0.00 0.00 179.01 178.36 2grg h ILE 44 N 0.86 1.63 -0.36 2.32 1.08 -0.99 -2.86 117.51 119.19 2grg h ILE 44 Ca 0.20 -3.07 0.00 0.00 -0.39 0.00 0.00 64.86 61.60 2grg h ILE 44 Cb 0.22 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 2grg h ILE 44 CO -0.01 0.88 0.24 0.40 -0.69 0.00 0.00 178.15 178.97 2grg h ILE 45 N 0.01 1.09 -0.44 -0.67 2.04 0.31 0.19 117.51 120.05 2grg h ILE 45 Ca -0.02 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2grg h ILE 45 Cb 1.62 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2grg h ILE 45 CO 0.12 0.09 -0.15 0.08 0.00 0.00 0.00 178.15 178.30 2grg h ARG 46 N 0.49 0.87 -0.38 2.37 0.11 -1.42 0.17 114.38 116.59 2grg h ARG 46 Ca 0.13 -0.35 0.02 0.00 0.10 0.00 0.00 59.98 59.88 2grg h ARG 46 Cb -0.06 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 30.96 2grg h ARG 46 CO -0.03 0.99 0.21 0.87 0.10 0.00 0.00 179.97 182.12 2grg h LYS 47 N 0.70 0.42 0.00 0.08 1.57 -1.26 -1.66 116.57 116.43 2grg h LYS 47 Ca 0.11 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2grg h LYS 47 Cb 0.70 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2grg h LYS 47 CO 0.05 0.28 -0.22 0.77 -0.57 0.00 0.00 179.45 179.76 2grg h SER 48 N 0.43 0.00 -0.09 0.86 0.02 -0.38 -1.20 113.55 113.20 2grg h SER 48 Ca 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2grg h SER 48 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2grg h SER 48 CO -0.09 0.22 -0.16 -1.13 -1.14 0.00 0.00 176.83 174.53 2grg h ASN 49 N 0.00 0.44 0.39 3.07 -1.24 0.29 -0.48 115.58 118.06 2grg h ASN 49 Ca -0.00 -0.12 -0.32 0.00 0.71 0.00 0.00 56.30 56.57 2grg h ASN 49 Cb 0.53 -0.12 0.02 0.00 0.73 0.00 0.00 38.32 39.48 2grg h ASN 49 CO 0.03 0.63 -1.43 0.00 -1.29 0.00 0.00 177.43 175.37 2grg h ALA 50 N 1.41 -0.03 -0.59 1.57 0.00 -1.04 -3.35 119.26 117.22 2grg h ALA 50 Ca 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 54.91 54.09 2grg h ALA 50 Cb 0.53 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2grg h ALA 50 CO 0.03 0.83 0.39 0.93 0.00 0.00 0.00 179.25 181.44 2grg h GLU 51 N 0.12 0.78 -5.03 0.00 4.39 -0.89 -3.46 114.58 110.49 2grg h GLU 51 Ca -0.22 -0.05 -0.46 0.00 0.34 0.00 0.00 59.36 58.97 2grg h GLU 51 Cb 2.10 -0.18 -0.14 0.00 -0.10 0.00 0.00 28.75 30.43 2grg h GLU 51 CO 0.24 0.52 -0.57 -0.48 -1.16 0.00 0.00 179.01 177.56 2grg s LEU 52 N -10.15 1.91 -0.02 1.33 0.05 -0.22 -5.08 118.68 106.50 2grg s LEU 52 Ca -0.13 -1.51 -0.04 0.00 0.05 0.00 0.00 54.13 52.50 2grg s LEU 52 Cb 0.13 -0.09 -0.01 0.00 -2.05 0.00 0.00 46.19 44.16 2grg s LEU 52 CO 0.75 -0.79 -0.08 0.61 -0.55 0.00 0.00 176.35 176.29 2grg n GLY 53 N -0.69 -0.25 0.10 -3.48 0.00 -1.26 -4.63 105.19 94.98 2grg n GLY 53 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.15 2.88 -2.47 1.61 3.00 -1.26 -4.29 116.66 112.98 2grg n ARG 54 Ca -0.03 -1.65 -0.23 0.00 -0.00 0.00 0.00 57.85 55.93 2grg n ARG 54 Cb 0.12 -1.07 0.07 0.00 0.00 0.00 0.00 32.46 31.58 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 -1.13 3.04 -0.35 6.15 2.01 -1.26 -4.34 118.68 122.80 2grg s LEU 55 Ca 0.05 0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.24 2grg s LEU 55 Cb 0.04 -2.65 0.10 0.00 0.01 0.00 0.00 46.19 43.68 2grg s LEU 55 CO 0.02 -1.55 0.08 -0.83 1.01 0.00 0.00 176.35 175.08 2grg s GLY 56 N -4.56 1.92 0.18 -3.19 0.00 0.96 -4.38 107.32 98.26 2grg s GLY 56 Ca 0.61 -2.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 2grg s GLY 56 CO 0.42 0.93 1.07 -0.47 0.00 0.00 0.00 173.10 175.06 2grg s TYR 57 N 1.00 3.64 -0.38 1.90 5.04 -1.07 -1.55 117.35 125.94 2grg s TYR 57 Ca 0.08 1.65 -0.29 0.00 -2.44 0.00 0.00 57.07 56.07 2grg s TYR 57 Cb -0.20 -3.23 -0.00 0.00 0.35 0.00 0.00 41.96 38.88 2grg s TYR 57 CO -0.06 -0.44 1.55 -1.12 -1.34 0.00 0.00 175.55 174.14 2grg s SER 58 N -0.22 6.18 -0.22 4.32 0.01 -1.06 0.08 113.70 122.79 2grg s SER 58 Ca 0.48 1.01 0.11 0.00 1.31 0.00 0.00 55.95 58.86 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 0.35 -1.53 -0.04 1.33 0.41 0.00 0.00 173.24 173.76 2grg n VAL 59 N 7.19 1.45 -3.79 3.43 0.24 0.69 -4.86 118.33 122.67 2grg n VAL 59 Ca 0.19 -0.73 -0.30 0.00 -2.04 0.00 0.00 64.34 61.46 2grg n VAL 59 Cb 0.47 -0.91 -0.15 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 -2.51 1.87 -0.31 6.34 5.04 -1.07 -4.97 117.35 121.74 2grg s TYR 60 Ca -0.21 -1.71 -0.10 0.00 -2.44 0.00 0.00 57.07 52.61 2grg s TYR 60 Cb 0.07 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 2grg s TYR 60 CO 0.73 -0.83 0.17 -2.00 -1.34 0.00 0.00 175.55 172.28 2grg s GLU 61 N 1.56 3.38 0.42 4.97 2.12 -1.26 0.66 118.70 130.55 2grg s GLU 61 Ca 0.06 -0.69 0.07 0.00 0.36 0.00 0.00 54.97 54.77 2grg s GLU 61 Cb -0.18 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 2grg s GLU 61 CO -0.18 -0.41 0.22 0.34 -0.54 0.00 0.00 175.26 174.68 2grg s ASP 62 N 1.64 4.52 0.24 -1.70 2.15 0.88 -5.00 116.67 119.40 2grg s ASP 62 Ca 0.05 -1.05 0.23 0.00 0.43 0.00 0.00 52.55 52.21 2grg s ASP 62 Cb -0.17 -0.43 0.95 0.00 -0.30 0.00 0.00 42.92 42.97 2grg s ASP 62 CO 0.07 -0.59 1.71 0.00 -0.17 0.00 0.00 175.17 176.19 2grg n ALA 63 N -1.31 1.72 -0.11 3.66 0.00 -1.26 -3.67 120.51 119.54 2grg n ALA 63 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 2grg n ALA 63 Cb 0.64 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.20 0.53 -4.22 0.00 6.02 -1.26 -5.05 117.38 111.20 2grg n GLN 64 Ca 0.02 0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2grg n GLN 64 Cb 0.24 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.70 1.13 -0.08 1.08 2.02 -1.24 -4.03 117.35 113.52 2grg s TYR 65 Ca -0.32 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.29 2grg s TYR 65 Cb 0.08 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 2grg s TYR 65 CO 0.44 -0.31 -0.07 0.42 -1.57 0.00 0.00 175.55 174.47 2grg s ILE 66 N -3.77 0.83 -0.01 2.71 1.01 0.10 -0.08 121.20 121.98 2grg s ILE 66 Ca 0.25 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 2grg s ILE 66 Cb 0.07 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 2grg s ILE 66 CO 0.04 0.32 0.24 -0.83 0.00 0.00 0.00 174.94 174.71 2grg s GLY 67 N 1.37 2.23 -0.05 6.18 0.00 0.21 -0.18 107.32 117.08 2grg s GLY 67 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.13 2grg s GLY 67 CO -0.03 -0.41 -0.15 0.30 0.00 0.00 0.00 173.10 172.80 2grg s HIS 68 N -1.26 1.62 -0.16 1.90 0.09 0.48 -0.23 115.29 117.73 2grg s HIS 68 Ca 0.26 -0.53 -0.26 0.00 -0.00 0.00 0.00 55.06 54.53 2grg s HIS 68 Cb -0.13 -1.13 -0.01 0.00 -0.00 0.00 0.00 32.58 31.31 2grg s HIS 68 CO 0.15 -0.22 0.86 0.00 -0.00 0.00 0.00 174.74 175.53 2grg s ALA 69 N 0.30 3.51 -0.01 -1.40 0.00 0.11 -0.68 121.76 123.59 2grg s ALA 69 Ca -0.09 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.02 2grg s ALA 69 Cb -0.13 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2grg s ALA 69 CO 0.03 -0.66 -0.23 -0.06 0.00 0.00 0.00 175.76 174.84 2grg s PHE 70 N 2.17 2.43 -0.06 0.00 0.40 0.70 -2.59 117.98 121.02 2grg s PHE 70 Ca 0.40 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 56.08 2grg s PHE 70 Cb -0.17 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 2grg s PHE 70 CO 0.13 0.06 0.92 0.15 0.70 0.00 0.00 175.22 177.17 2grg s LYS 71 N -0.81 4.47 0.28 0.44 3.01 -1.26 -1.61 119.74 124.27 2grg s LYS 71 Ca 0.11 1.26 0.00 0.00 -1.01 0.00 0.00 55.97 56.33 2grg s LYS 71 Cb -0.10 -3.49 -0.00 0.00 -1.01 0.00 0.00 37.83 33.23 2grg s LYS 71 CO 0.00 -0.12 0.00 1.63 0.51 0.00 0.00 175.35 177.38 2grg n LYS 72 N 4.28 1.29 -1.86 1.68 4.76 0.94 -4.92 118.16 124.33 2grg n LYS 72 Ca 0.05 -2.08 -0.28 0.00 -2.87 0.00 0.00 58.31 53.13 2grg n LYS 72 Cb 0.50 0.57 -0.05 0.00 -1.84 0.00 0.00 35.03 34.22 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 -2.49 1.55 -0.09 7.82 0.00 -1.26 -2.61 121.76 124.67 2grg s ALA 73 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2grg s ALA 73 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2grg s ALA 73 CO 0.00 -4.81 0.00 0.41 0.00 0.00 0.00 175.76 171.36 2grg n GLY 74 N 6.45 0.30 3.39 0.00 0.00 -1.26 -4.94 105.19 109.13 2grg n GLY 74 Ca 0.36 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.51 0.98 -0.09 1.61 4.02 -1.07 -4.22 115.29 115.00 2grg s HIS 75 Ca 0.00 -1.21 0.02 0.00 1.02 0.00 0.00 55.06 54.89 2grg s HIS 75 Cb 0.00 -0.25 0.01 0.00 -1.02 0.00 0.00 32.58 31.33 2grg s HIS 75 CO 0.00 -0.89 -0.16 -0.06 1.02 0.00 0.00 174.74 174.65 2grg s PHE 76 N -3.75 1.89 -0.04 1.40 0.08 -0.85 -0.04 117.98 116.67 2grg s PHE 76 Ca 0.32 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.59 2grg s PHE 76 Cb 0.02 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2grg s PHE 76 CO 0.15 -0.40 -0.14 0.42 -0.10 0.00 0.00 175.22 175.15 2grg s ILE 77 N 0.78 1.15 -0.35 0.64 1.01 -0.64 0.43 121.20 124.24 2grg s ILE 77 Ca -0.11 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2grg s ILE 77 Cb -0.16 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2grg s ILE 77 CO 0.02 0.34 0.18 -0.69 0.00 0.00 0.00 174.94 174.79 2grg s VAL 78 N 0.13 4.56 -0.24 2.92 1.01 0.41 -0.22 120.40 128.98 2grg s VAL 78 Ca -0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2grg s VAL 78 Cb -0.10 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2grg s VAL 78 CO 0.02 -0.10 0.60 -0.31 0.00 0.00 0.00 175.10 175.30 2grg s TYR 79 N 1.57 3.31 -0.29 5.22 1.51 0.14 -0.26 117.35 128.55 2grg s TYR 79 Ca 0.03 0.80 -0.15 0.00 -1.01 0.00 0.00 57.07 56.74 2grg s TYR 79 Cb -0.18 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 2grg s TYR 79 CO 0.06 -0.26 0.38 -0.06 -1.11 0.00 0.00 175.55 174.56 2grg s PHE 80 N 2.26 3.23 0.22 2.71 0.40 0.12 -0.39 117.98 126.53 2grg s PHE 80 Ca 0.26 0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 2grg s PHE 80 Cb -0.16 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 2grg s PHE 80 CO 0.09 -0.30 0.04 0.95 0.70 0.00 0.00 175.22 176.70 2grg s THR 81 N 2.08 3.80 -0.96 0.64 -4.23 0.75 0.19 115.64 117.91 2grg s THR 81 Ca 0.14 -1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 2grg s THR 81 Cb -0.16 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 2grg s THR 81 CO 0.11 -0.23 2.10 -0.81 -0.54 0.00 0.00 174.62 175.25 2grg n PRO 82 N -0.55 2.03 -3.18 3.99 -0.04 -1.26 0.00 135.00 135.99 2grg n PRO 82 Ca -0.08 -1.77 -0.22 0.00 -0.04 0.00 0.00 63.50 61.38 2grg n PRO 82 Cb 0.57 -2.74 0.05 0.00 -0.04 0.00 0.00 33.50 31.33 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 5.48 -5.73 -2.97 0.54 5.02 -1.26 -4.90 118.16 114.36 2grg n LYS 83 Ca 0.50 0.85 -0.43 0.00 -2.02 0.00 0.00 58.31 57.21 2grg n LYS 83 Cb 0.27 -5.70 -0.05 0.00 -0.02 0.00 0.00 35.03 29.53 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 -2.91 6.26 0.01 4.39 2.47 -1.26 -4.74 114.94 119.16 2grg s ASN 84 Ca 0.38 -0.73 0.00 0.00 0.42 0.00 0.00 52.86 52.94 2grg s ASN 84 Cb -0.17 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 2grg s ASN 84 CO 0.47 -1.14 0.00 0.29 -3.72 0.00 0.00 177.10 173.00 2grg n LYS 85 N 7.00 0.00 -3.22 0.43 5.02 -1.26 -4.92 118.16 121.21 2grg n LYS 85 Ca -0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 2grg n LYS 85 Cb 0.46 -0.38 -0.03 0.00 -0.02 0.00 0.00 35.03 35.07 2grg n LYS 85 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2grg s ASN 86 N -5.05 -0.78 0.12 4.39 3.84 -1.26 -4.98 114.94 111.21 2grg s ASN 86 Ca 0.00 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.13 2grg s ASN 86 Cb 0.00 1.66 0.00 0.00 -0.55 0.00 0.00 41.25 42.36 2grg s ASN 86 CO 0.00 -0.32 0.00 -1.14 -2.79 0.00 0.00 177.10 172.85 2grg n ARG 87 N 5.39 0.00 -4.29 0.43 0.63 -1.26 -5.12 116.66 112.44 2grg n ARG 87 Ca 0.02 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.76 2grg n ARG 87 Cb 0.52 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.30 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 -1.37 0.90 0.00 -0.14 2.02 -1.26 -5.08 118.70 113.76 2grg s GLU 88 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2grg s GLU 88 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.32 2grg s GLU 88 CO 0.00 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2grg n GLY 89 N 1.67 0.21 3.55 -1.39 0.00 -1.26 -5.06 105.19 102.92 2grg n GLY 89 Ca -0.19 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 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 0.00 2.59 0.29 1.61 -7.23 -1.26 -5.15 120.40 111.26 2grg s VAL 90 Ca 0.00 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.95 2grg s VAL 90 Cb 0.00 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2grg s VAL 90 CO 0.00 -0.30 0.54 0.68 -0.31 0.00 0.00 175.10 175.71 2grg s VAL 91 N -2.51 5.05 0.70 1.32 -7.23 -1.26 -4.99 120.40 111.49 2grg s VAL 91 Ca 0.32 -0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.26 2grg s VAL 91 Cb -0.02 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2grg s VAL 91 CO 0.17 -0.36 1.27 -0.81 -0.31 0.00 0.00 175.10 175.06 2grg n PRO 92 N -1.08 0.79 -1.79 4.82 -0.04 -1.26 -4.95 135.00 131.49 2grg n PRO 92 Ca -0.02 0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 2grg n PRO 92 Cb 0.54 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.48 2grg n PRO 92 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2grg s PRO 93 N -3.63 4.13 0.13 0.54 0.02 -1.26 -4.92 135.00 130.01 2grg s PRO 93 Ca 0.80 2.56 0.22 0.00 0.02 0.00 0.00 61.00 64.60 2grg s PRO 93 Cb -0.35 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.05 2grg s PRO 93 CO 0.44 -0.61 0.88 1.55 -0.33 0.00 0.00 177.00 178.92 2grg n VAL 94 N 2.06 0.56 -0.48 3.83 3.14 -1.26 -4.92 118.33 121.26 2grg n VAL 94 Ca 0.08 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 2grg n VAL 94 Cb 0.38 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2grg n VAL 94 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2grg n GLY 95 N 1.23 3.03 2.32 7.55 0.00 -1.26 -4.98 105.19 113.07 2grg n GLY 95 Ca -0.02 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 2grg n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2grg n ILE 96 N 0.00 -9.75 -3.29 -0.61 2.08 -1.26 -4.70 119.36 101.83 2grg n ILE 96 Ca 0.00 1.72 -0.09 0.00 0.56 0.00 0.00 62.75 64.95 2grg n ILE 96 Cb 0.00 -5.87 0.00 0.00 -0.75 0.00 0.00 39.64 33.02 2grg n ILE 96 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2grg n THR 97 N 0.92 -7.99 -0.89 1.39 -2.24 -1.26 -5.15 114.28 99.06 2grg n THR 97 Ca -0.18 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2grg n THR 97 Cb 0.28 -5.65 0.00 0.00 -2.10 0.00 0.00 70.33 62.85 2grg n THR 97 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30