#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2b s ILE 4 N 0.00 5.27 0.34 2.28 -1.09 -1.26 -4.96 121.20 121.79 3g2b s ILE 4 Ca 0.00 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.00 3g2b s ILE 4 Cb 0.00 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3g2b s ILE 4 CO 0.00 0.32 0.26 -1.54 -1.23 0.00 0.00 174.94 172.75 3g2b n SER 5 N 4.18 -0.43 0.23 3.58 3.41 -1.26 -5.02 113.62 118.31 3g2b n SER 5 Ca -0.11 -3.17 0.16 0.00 -0.26 0.00 0.00 58.87 55.49 3g2b n SER 5 Cb 0.52 1.57 0.79 0.00 -0.26 0.00 0.00 64.21 66.83 3g2b n SER 5 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3g2b h ARG 6 N 0.00 0.00 -0.01 4.33 0.11 -2.09 -1.80 114.38 114.92 3g2b h ARG 6 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 3g2b h ARG 6 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3g2b h ARG 6 CO 0.36 0.00 -0.11 -0.25 0.10 0.00 0.00 179.97 180.08 3g2b n ASP 7 N -2.63 1.19 -4.77 0.08 10.43 -1.26 -4.91 116.55 114.67 3g2b n ASP 7 Ca -0.01 -1.18 -0.40 0.00 2.57 0.00 0.00 54.79 55.77 3g2b n ASP 7 Cb 0.11 0.05 -0.02 0.00 1.84 0.00 0.00 41.12 43.09 3g2b n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3g2b s SER 8 N -2.23 6.77 -0.57 -2.24 0.01 -0.68 -4.99 113.70 109.77 3g2b s SER 8 Ca 0.32 2.53 0.06 0.00 1.31 0.00 0.00 55.95 60.18 3g2b s SER 8 Cb 0.20 -2.64 0.23 0.00 0.21 0.00 0.00 66.02 64.03 3g2b s SER 8 CO 0.42 -0.52 0.62 0.00 0.41 0.00 0.00 173.24 174.16 3g2b s PRO 10 N -1.78 2.36 -0.01 0.00 0.02 -1.26 -5.09 135.00 129.24 3g2b s PRO 10 Ca 0.36 1.15 -0.04 0.00 0.02 0.00 0.00 61.00 62.48 3g2b s PRO 10 Cb 0.11 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.72 3g2b s PRO 10 CO -0.08 -1.57 0.07 0.00 -0.33 0.00 0.00 177.00 175.10 3g2b s ALA 11 N -2.91 -0.17 0.33 -1.55 0.00 -1.26 -5.13 121.76 111.07 3g2b s ALA 11 Ca 0.61 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 3g2b s ALA 11 Cb -0.17 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 3g2b s ALA 11 CO 0.55 -0.14 1.16 -0.51 0.00 0.00 0.00 175.76 176.83 3g2b s LEU 12 N -0.89 4.42 0.82 0.00 1.43 -1.26 -5.00 118.68 118.20 3g2b s LEU 12 Ca -0.10 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3g2b s LEU 12 Cb -0.06 -3.76 0.09 0.00 0.03 0.00 0.00 46.19 42.49 3g2b s LEU 12 CO 0.00 -0.38 1.09 -0.13 0.23 0.00 0.00 176.35 177.17 3g2b s ARG 13 N -1.79 1.84 0.30 1.70 0.52 -1.26 -4.91 118.95 115.35 3g2b s ARG 13 Ca 0.49 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.50 3g2b s ARG 13 Cb -0.33 -1.85 -0.12 0.00 0.52 0.00 0.00 34.95 33.17 3g2b s ARG 13 CO 0.42 -1.92 1.48 0.00 0.02 0.00 0.00 175.30 175.31 3g2b n ALA 14 N -3.70 1.96 0.00 2.13 0.00 -1.26 -1.69 120.51 117.95 3g2b n ALA 14 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3g2b n ALA 14 Cb 0.54 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3g2b n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g2b n GLY 15 N 1.63 3.07 3.60 0.00 0.00 -1.26 -4.82 105.19 107.41 3g2b n GLY 15 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3g2b n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g2b s VAL 16 N -1.83 4.40 0.12 1.61 1.01 -0.68 -4.15 120.40 120.88 3g2b s VAL 16 Ca 0.00 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.30 3g2b s VAL 16 Cb 0.00 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3g2b s VAL 16 CO 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 175.10 174.15 3g2b s ARG 17 N 3.94 1.13 0.08 2.72 1.70 -0.90 -4.78 118.95 122.84 3g2b s ARG 17 Ca 0.43 -1.23 -0.27 0.00 -0.47 0.00 0.00 55.73 54.20 3g2b s ARG 17 Cb -0.10 -1.27 -0.06 0.00 -0.57 0.00 0.00 34.95 32.95 3g2b s ARG 17 CO 0.24 0.28 0.84 -1.17 -1.08 0.00 0.00 175.30 174.41 3g2b s LEU 18 N -2.18 4.48 -0.01 -1.89 2.96 -1.26 -0.66 118.68 120.13 3g2b s LEU 18 Ca 0.09 1.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 3g2b s LEU 18 Cb -0.08 -3.36 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 3g2b s LEU 18 CO 0.05 0.01 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.45 3g2b s GLN 19 N -0.14 0.42 -0.54 1.98 0.74 0.11 -4.96 119.66 117.27 3g2b s GLN 19 Ca 0.41 -0.16 -0.19 0.00 0.05 0.00 0.00 55.36 55.47 3g2b s GLN 19 Cb -0.22 -0.42 0.08 0.00 1.10 0.00 0.00 33.01 33.55 3g2b s GLN 19 CO 0.26 0.09 0.65 -1.58 -0.55 0.00 0.00 175.29 174.16 3g2b s HIS 20 N -0.01 3.03 -1.18 1.67 5.65 -1.26 -0.96 115.29 122.23 3g2b s HIS 20 Ca 0.01 -0.71 -0.17 0.00 0.25 0.00 0.00 55.06 54.43 3g2b s HIS 20 Cb -0.03 -3.72 0.11 0.00 -1.18 0.00 0.00 32.58 27.76 3g2b s HIS 20 CO -0.00 -1.13 1.51 0.34 -0.65 0.00 0.00 174.74 174.80 3g2b s ASP 21 N 3.06 6.85 0.24 9.88 -1.08 0.61 -4.82 116.67 131.41 3g2b s ASP 21 Ca 0.13 -2.46 -0.05 0.00 -0.52 0.00 0.00 52.55 49.66 3g2b s ASP 21 Cb -0.21 -2.49 0.40 0.00 -1.46 0.00 0.00 42.92 39.16 3g2b s ASP 21 CO 0.10 -1.04 1.79 -0.09 0.52 0.00 0.00 175.17 176.44 3g2b h ARG 22 N 7.88 0.69 -0.98 4.34 2.43 -1.93 -0.86 114.38 125.94 3g2b h ARG 22 Ca 0.33 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 3g2b h ARG 22 Cb 0.91 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.24 3g2b h ARG 22 CO 1.33 0.45 0.63 0.00 -1.51 0.00 0.00 179.97 180.87 3g2b h ALA 23 N 1.46 1.37 -0.28 2.80 0.00 -1.94 -1.87 119.26 120.81 3g2b h ALA 23 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3g2b h ALA 23 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3g2b h ALA 23 CO -0.27 0.41 0.00 -2.13 0.00 0.00 0.00 179.25 177.25 3g2b n ARG 24 N -4.53 2.18 -3.81 0.00 0.63 -0.84 -4.96 116.66 105.33 3g2b n ARG 24 Ca 0.15 -1.78 -0.24 0.00 -0.92 0.00 0.00 57.85 55.07 3g2b n ARG 24 Cb 0.19 -1.46 0.01 0.00 0.45 0.00 0.00 32.46 31.65 3g2b n ARG 24 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3g2b n ASP 25 N 1.00 -1.25 -3.67 6.15 2.03 -0.39 -4.98 116.55 115.45 3g2b n ASP 25 Ca 0.18 -0.93 -0.11 0.00 0.52 0.00 0.00 54.79 54.45 3g2b n ASP 25 Cb 0.49 -3.53 -0.05 0.00 -0.72 0.00 0.00 41.12 37.31 3g2b n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3g2b s GLN 26 N -6.23 0.99 0.03 -0.67 -2.07 -0.97 -5.04 119.66 105.71 3g2b s GLN 26 Ca 0.06 -0.62 0.02 0.00 -1.82 0.00 0.00 55.36 53.00 3g2b s GLN 26 Cb -0.02 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 3g2b s GLN 26 CO 0.85 -0.37 0.00 -1.58 -1.32 0.00 0.00 175.29 172.88 3g2b s TRP 27 N -3.38 3.06 0.17 9.60 0.52 -1.26 -0.28 118.94 127.37 3g2b s TRP 27 Ca 0.00 0.05 -0.05 0.00 0.02 0.00 0.00 56.10 56.13 3g2b s TRP 27 Cb 0.01 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 3g2b s TRP 27 CO -0.09 0.47 0.19 0.14 0.02 0.00 0.00 176.95 177.68 3g2b s VAL 28 N -1.15 0.05 -0.14 4.03 -7.23 -0.14 -4.93 120.40 110.90 3g2b s VAL 28 Ca 0.21 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3g2b s VAL 28 Cb -0.12 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 3g2b s VAL 28 CO 0.13 -0.25 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.85 3g2b s LEU 29 N -3.05 3.13 -0.28 1.32 1.43 -1.26 -0.72 118.68 119.26 3g2b s LEU 29 Ca 0.25 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 3g2b s LEU 29 Cb 0.05 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3g2b s LEU 29 CO 0.04 0.20 0.14 -0.76 0.23 0.00 0.00 176.35 176.20 3g2b s LEU 30 N 0.18 3.88 -0.09 1.79 2.01 0.17 -4.94 118.68 121.68 3g2b s LEU 30 Ca -0.03 -0.27 -0.15 0.00 0.01 0.00 0.00 54.13 53.69 3g2b s LEU 30 Cb -0.14 -2.02 -0.05 0.00 0.01 0.00 0.00 46.19 43.99 3g2b s LEU 30 CO 0.03 -0.10 0.37 0.00 1.01 0.00 0.00 176.35 177.66 3g2b s ALA 31 N 1.66 3.63 0.75 4.21 0.00 -1.26 -2.11 121.76 128.64 3g2b s ALA 31 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 3g2b s ALA 31 Cb -0.16 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.58 3g2b s ALA 31 CO 0.07 0.26 1.08 -1.25 0.00 0.00 0.00 175.76 175.92 3g2b s PRO 32 N -0.20 2.45 0.67 0.00 0.04 -1.26 -5.00 135.00 131.71 3g2b s PRO 32 Ca 0.21 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 3g2b s PRO 32 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3g2b s PRO 32 CO 0.09 -1.49 1.26 -1.21 0.04 0.00 0.00 177.00 175.70 3g2b s GLU 33 N -4.91 2.44 0.22 4.56 2.02 -1.26 -5.02 118.70 116.75 3g2b s GLU 33 Ca 0.61 1.96 0.09 0.00 0.02 0.00 0.00 54.97 57.65 3g2b s GLU 33 Cb -0.16 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 3g2b s GLU 33 CO 0.55 -1.66 -0.17 1.03 0.02 0.00 0.00 175.26 175.04 3g2b s ARG 34 N -3.53 1.42 -0.10 1.61 0.52 -1.26 -5.14 118.95 112.48 3g2b s ARG 34 Ca 0.80 -1.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.42 3g2b s ARG 34 Cb -0.35 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 33.79 3g2b s ARG 34 CO 0.41 0.24 -0.16 0.08 0.02 0.00 0.00 175.30 175.89 3g2b s VAL 35 N -2.68 1.49 -0.17 3.52 1.01 -1.26 -5.11 120.40 117.19 3g2b s VAL 35 Ca 0.24 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3g2b s VAL 35 Cb -0.03 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.03 3g2b s VAL 35 CO 0.09 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 3g2b s VAL 36 N 0.84 1.69 0.23 2.92 1.01 -1.26 -5.11 120.40 120.72 3g2b s VAL 36 Ca -0.10 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3g2b s VAL 36 Cb -0.15 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 3g2b s VAL 36 CO 0.01 0.38 1.19 -0.70 0.00 0.00 0.00 175.10 175.98 3g2b s GLU 37 N 1.42 4.51 -0.10 2.72 2.12 -1.26 -5.04 118.70 123.07 3g2b s GLU 37 Ca 0.03 1.91 0.02 0.00 0.36 0.00 0.00 54.97 57.29 3g2b s GLU 37 Cb -0.14 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.06 3g2b s GLU 37 CO -0.10 -0.02 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.92 3g2b s LEU 38 N -0.79 1.81 0.04 2.70 1.43 -1.26 -5.09 118.68 117.52 3g2b s LEU 38 Ca 0.50 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 3g2b s LEU 38 Cb -0.34 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3g2b s LEU 38 CO 0.40 0.05 -0.17 1.51 0.23 0.00 0.00 176.35 178.37 3g2b s ASP 39 N 0.77 2.03 1.07 2.29 1.47 -1.26 -4.68 116.67 118.36 3g2b s ASP 39 Ca -0.11 -0.48 0.00 0.00 1.18 0.00 0.00 52.55 53.14 3g2b s ASP 39 Cb -0.16 -0.15 0.00 0.00 -0.34 0.00 0.00 42.92 42.27 3g2b s ASP 39 CO 0.02 0.09 0.00 0.47 0.68 0.00 0.00 175.17 176.43 3g2b n ASP 40 N 1.90 0.00 0.27 2.11 10.43 -1.26 -1.87 116.55 128.14 3g2b n ASP 40 Ca -0.17 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.31 3g2b n ASP 40 Cb 0.54 0.00 0.78 0.00 1.84 0.00 0.00 41.12 44.28 3g2b n ASP 40 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 3g2b h ILE 41 N 0.00 0.67 -0.17 0.53 6.09 -2.01 -1.75 117.51 120.88 3g2b h ILE 41 Ca 0.00 -0.22 -0.04 0.00 -1.37 0.00 0.00 64.86 63.23 3g2b h ILE 41 Cb 0.00 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 3g2b h ILE 41 CO 0.00 0.05 -0.07 0.00 -3.07 0.00 0.00 178.15 175.06 3g2b h ALA 42 N 1.95 1.57 -0.45 0.18 0.00 -1.75 -0.59 119.26 120.17 3g2b h ALA 42 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3g2b h ALA 42 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3g2b h ALA 42 CO 0.01 0.31 0.18 1.25 0.00 0.00 0.00 179.25 181.00 3g2b h LEU 43 N 0.25 0.62 -0.34 0.00 5.85 -1.43 -1.68 115.31 118.57 3g2b h LEU 43 Ca 0.05 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3g2b h LEU 43 Cb 0.29 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3g2b h LEU 43 CO 0.01 0.61 -0.10 0.58 -0.34 0.00 0.00 178.44 179.20 3g2b h VAL 44 N 0.58 1.28 -0.40 1.05 2.07 -1.39 -2.88 116.25 116.57 3g2b h VAL 44 Ca 0.15 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3g2b h VAL 44 Cb 0.19 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3g2b h VAL 44 CO -0.01 0.38 0.23 0.58 0.02 0.00 0.00 177.57 178.77 3g2b h VAL 45 N 0.45 1.03 -0.67 2.57 2.07 -1.02 -0.49 116.25 120.19 3g2b h VAL 45 Ca 0.08 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3g2b h VAL 45 Cb 0.61 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3g2b h VAL 45 CO 0.04 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.16 3g2b h ALA 46 N 1.19 1.65 -0.00 1.67 0.00 -1.29 -1.10 119.26 121.38 3g2b h ALA 46 Ca 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3g2b h ALA 46 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3g2b h ALA 46 CO -0.08 0.27 -0.70 0.37 0.00 0.00 0.00 179.25 179.10 3g2b h GLN 47 N 0.77 0.00 0.00 0.00 -0.00 -1.14 -3.22 115.11 111.53 3g2b h GLN 47 Ca 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 3g2b h GLN 47 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.59 3g2b h GLN 47 CO -0.08 0.71 0.00 0.00 0.00 0.00 0.00 178.83 179.46 3g2b h ARG 48 N 0.00 0.00 -6.71 1.69 2.47 0.15 -3.45 114.38 108.53 3g2b h ARG 48 Ca -0.01 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.16 3g2b h ARG 48 Cb 1.25 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 29.65 3g2b h ARG 48 CO 0.09 0.00 0.76 0.66 0.56 0.00 0.00 179.97 182.04 3g2b n TYR 49 N -3.05 2.56 -1.72 3.04 0.53 -0.89 -4.86 117.16 112.77 3g2b n TYR 49 Ca 0.03 0.34 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 3g2b n TYR 49 Cb 0.48 -2.54 0.00 0.00 -1.03 0.00 0.00 39.34 36.26 3g2b n TYR 49 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3g2b n ASP 50 N 2.11 0.00 -0.97 7.72 3.85 -1.26 -5.00 116.55 123.00 3g2b n ASP 50 Ca 0.10 -1.35 -0.13 0.00 -0.71 0.00 0.00 54.79 52.70 3g2b n ASP 50 Cb 0.35 -0.07 -0.05 0.00 -1.35 0.00 0.00 41.12 39.99 3g2b n ASP 50 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g2b n GLY 51 N 0.00 1.27 1.66 6.12 0.00 -1.26 -4.71 105.19 108.26 3g2b n GLY 51 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3g2b n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g2b n THR 52 N -2.40 0.35 -2.01 2.61 -1.04 -1.26 -5.08 114.28 105.45 3g2b n THR 52 Ca -0.13 0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 3g2b n THR 52 Cb 0.53 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.15 3g2b n THR 52 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3g2b s GLN 53 N -2.00 4.07 0.58 -2.82 -1.52 -1.26 -5.02 119.66 111.69 3g2b s GLN 53 Ca 0.00 2.26 -0.04 0.00 -1.95 0.00 0.00 55.36 55.63 3g2b s GLN 53 Cb 0.00 -2.87 0.02 0.00 -0.22 0.00 0.00 33.01 29.95 3g2b s GLN 53 CO 0.00 -0.44 0.86 -1.54 -0.25 0.00 0.00 175.29 173.92 3g2b s SER 54 N -0.56 5.41 0.36 5.90 1.04 -1.26 -4.79 113.70 119.80 3g2b s SER 54 Ca 0.54 0.44 0.06 0.00 0.48 0.00 0.00 55.95 57.48 3g2b s SER 54 Cb -0.40 -1.39 0.70 0.00 0.10 0.00 0.00 66.02 65.03 3g2b s SER 54 CO 0.53 -1.13 1.92 -0.07 0.98 0.00 0.00 173.24 175.47 3g2b h LEU 55 N -0.11 0.41 -0.38 2.42 3.38 -1.98 0.24 115.31 119.28 3g2b h LEU 55 Ca -0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3g2b h LEU 55 Cb 1.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3g2b h LEU 55 CO 0.58 0.47 0.20 0.00 0.09 0.00 0.00 178.44 179.79 3g2b h ALA 56 N 1.58 0.49 -0.53 1.53 0.00 -1.96 0.19 119.26 120.57 3g2b h ALA 56 Ca 0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3g2b h ALA 56 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3g2b h ALA 56 CO 0.01 0.04 0.03 1.96 0.00 0.00 0.00 179.25 181.29 3g2b h GLN 57 N 0.49 0.92 -0.61 0.00 4.20 -1.75 -0.98 115.11 117.38 3g2b h GLN 57 Ca 0.13 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3g2b h GLN 57 Cb 0.09 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3g2b h GLN 57 CO -0.02 0.92 0.33 0.82 -0.67 0.00 0.00 178.83 180.21 3g2b h ILE 58 N 0.80 1.20 -0.49 2.54 2.04 -0.72 -1.21 117.51 121.67 3g2b h ILE 58 Ca 0.15 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 3g2b h ILE 58 Cb 0.49 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3g2b h ILE 58 CO 0.02 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.40 3g2b h ALA 59 N 1.15 0.65 -0.47 1.87 0.00 -0.76 -0.97 119.26 120.73 3g2b h ALA 59 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3g2b h ALA 59 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3g2b h ALA 59 CO -0.03 0.46 0.27 0.37 0.00 0.00 0.00 179.25 180.31 3g2b h GLN 60 N 0.72 0.65 0.29 0.00 5.75 -0.96 0.57 115.11 122.13 3g2b h GLN 60 Ca 0.14 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3g2b h GLN 60 Cb 0.51 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.93 3g2b h GLN 60 CO 0.02 0.50 -0.14 1.15 -2.65 0.00 0.00 178.83 177.71 3g2b h THR 61 N 0.63 0.73 -0.78 2.39 2.02 -1.08 -2.11 112.91 114.71 3g2b h THR 61 Ca 0.17 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3g2b h THR 61 Cb 0.03 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3g2b h THR 61 CO -0.03 0.04 0.34 -0.07 0.37 0.00 0.00 175.52 176.17 3g2b h LEU 62 N -0.48 1.05 -0.85 2.58 3.38 -1.08 -0.48 115.31 119.44 3g2b h LEU 62 Ca -0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3g2b h LEU 62 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3g2b h LEU 62 CO 0.07 0.92 0.31 0.00 0.09 0.00 0.00 178.44 179.83 3g2b h ALA 63 N 1.18 1.08 -0.40 1.53 0.00 -0.84 0.44 119.26 122.24 3g2b h ALA 63 Ca 0.26 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3g2b h ALA 63 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g2b h ALA 63 CO -0.03 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 3g2b h ALA 64 N 1.20 0.55 -0.63 0.00 0.00 -1.01 0.14 119.26 119.52 3g2b h ALA 64 Ca 0.26 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3g2b h ALA 64 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3g2b h ALA 64 CO -0.02 0.44 0.11 0.93 0.00 0.00 0.00 179.25 180.70 3g2b h GLU 65 N 0.59 1.03 -0.67 0.00 5.08 -0.71 -3.04 114.58 116.86 3g2b h GLU 65 Ca 0.10 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3g2b h GLU 65 Cb 0.65 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3g2b h GLU 65 CO 0.04 0.95 0.00 1.19 -1.00 0.00 0.00 179.01 180.19 3g2b n PHE 66 N -4.22 1.28 -4.07 4.33 3.72 0.11 -4.94 117.46 113.67 3g2b n PHE 66 Ca 0.04 -0.54 -0.31 0.00 -0.05 0.00 0.00 57.45 56.59 3g2b n PHE 66 Cb 0.28 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3g2b n PHE 66 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3g2b n ASP 67 N 1.23 -2.38 -4.73 4.37 8.00 -0.27 -4.95 116.55 117.82 3g2b n ASP 67 Ca 0.24 -0.97 -0.24 0.00 0.71 0.00 0.00 54.79 54.53 3g2b n ASP 67 Cb 0.77 -3.06 -0.07 0.00 -0.02 0.00 0.00 41.12 38.75 3g2b n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g2b s ALA 68 N -3.55 3.53 -0.07 2.24 0.00 0.34 -5.04 121.76 119.21 3g2b s ALA 68 Ca 0.44 -1.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 3g2b s ALA 68 Cb -0.24 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 3g2b s ALA 68 CO 0.90 -0.05 1.23 0.34 0.00 0.00 0.00 175.76 178.19 3g2b s ASP 69 N -3.87 7.01 0.28 0.00 2.15 -1.26 -4.56 116.67 116.42 3g2b s ASP 69 Ca 0.39 1.82 -0.03 0.00 0.43 0.00 0.00 52.55 55.17 3g2b s ASP 69 Cb -0.00 -2.55 0.38 0.00 -0.30 0.00 0.00 42.92 40.45 3g2b s ASP 69 CO 0.23 -0.63 1.88 0.00 -0.17 0.00 0.00 175.17 176.47 3g2b h ALA 70 N 7.66 1.28 -0.38 3.66 0.00 -1.90 -1.79 119.26 127.78 3g2b h ALA 70 Ca -0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3g2b h ALA 70 Cb 1.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3g2b h ALA 70 CO 0.90 0.56 0.21 1.03 0.00 0.00 0.00 179.25 181.95 3g2b h SER 71 N 1.00 0.48 -0.18 0.00 0.87 -1.95 0.54 113.55 114.30 3g2b h SER 71 Ca 0.25 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3g2b h SER 71 Cb 0.09 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3g2b h SER 71 CO -0.03 0.44 0.10 -0.33 -0.53 0.00 0.00 176.83 176.47 3g2b h GLU 72 N 0.49 0.26 -0.62 2.24 5.08 -1.92 -2.25 114.58 117.86 3g2b h GLU 72 Ca 0.13 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3g2b h GLU 72 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3g2b h GLU 72 CO -0.02 0.27 0.17 0.82 -1.00 0.00 0.00 179.01 179.25 3g2b h ILE 73 N 0.19 1.24 -0.72 3.13 1.08 -1.15 -2.06 117.51 119.22 3g2b h ILE 73 Ca 0.06 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 3g2b h ILE 73 Cb 0.09 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 3g2b h ILE 73 CO -0.01 0.32 0.38 -0.08 -0.69 0.00 0.00 178.15 178.07 3g2b h GLU 74 N 0.91 1.01 -0.42 2.37 4.81 -0.69 0.14 114.58 122.71 3g2b h GLU 74 Ca 0.20 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3g2b h GLU 74 Cb 0.29 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3g2b h GLU 74 CO -0.00 0.76 0.28 1.15 -0.73 0.00 0.00 179.01 180.47 3g2b h THR 75 N 0.99 1.11 -0.71 0.32 2.02 -1.02 -0.47 112.91 115.14 3g2b h THR 75 Ca 0.25 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3g2b h THR 75 Cb 0.06 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3g2b h THR 75 CO -0.04 0.10 0.28 0.44 0.37 0.00 0.00 175.52 176.67 3g2b h ASP 76 N 0.56 0.99 -0.41 4.18 5.19 -0.80 -0.31 116.42 125.81 3g2b h ASP 76 Ca 0.15 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3g2b h ASP 76 Cb -0.06 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.17 3g2b h ASP 76 CO -0.03 0.89 0.12 0.58 -3.12 0.00 0.00 179.24 177.68 3g2b h VAL 77 N 1.02 1.22 -0.55 -1.35 2.07 -0.43 -1.15 116.25 117.08 3g2b h VAL 77 Ca 0.24 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3g2b h VAL 77 Cb 0.22 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3g2b h VAL 77 CO -0.02 0.26 0.08 0.40 0.02 0.00 0.00 177.57 178.31 3g2b h ILE 78 N 0.52 1.26 -0.24 4.57 2.04 -0.87 -1.39 117.51 123.40 3g2b h ILE 78 Ca 0.13 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3g2b h ILE 78 Cb 0.27 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3g2b h ILE 78 CO -0.00 0.36 0.15 -0.08 0.00 0.00 0.00 178.15 178.57 3g2b h GLU 79 N 0.81 0.29 -0.20 2.37 4.81 -0.86 -0.71 114.58 121.09 3g2b h GLU 79 Ca 0.17 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3g2b h GLU 79 Cb 0.43 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3g2b h GLU 79 CO 0.01 0.19 0.11 1.25 -0.73 0.00 0.00 179.01 179.85 3g2b h LEU 80 N 0.30 0.24 -1.18 1.64 5.85 -1.09 -2.29 115.31 118.79 3g2b h LEU 80 Ca 0.09 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3g2b h LEU 80 Cb -0.02 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3g2b h LEU 80 CO -0.03 0.24 0.45 0.74 -0.34 0.00 0.00 178.44 179.50 3g2b h THR 81 N 0.22 1.21 -0.43 1.05 2.02 -1.08 -0.34 112.91 115.56 3g2b h THR 81 Ca 0.07 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3g2b h THR 81 Cb 0.05 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3g2b h THR 81 CO -0.01 0.22 0.24 0.74 0.37 0.00 0.00 175.52 177.08 3g2b h THR 82 N 1.02 1.15 -0.37 3.16 2.02 -0.88 0.14 112.91 119.16 3g2b h THR 82 Ca 0.27 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3g2b h THR 82 Cb -0.04 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3g2b h THR 82 CO -0.05 0.16 0.17 0.74 0.37 0.00 0.00 175.52 176.91 3g2b h THR 83 N 0.56 1.17 -0.16 3.16 2.02 -0.78 -0.61 112.91 118.27 3g2b h THR 83 Ca 0.15 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 3g2b h THR 83 Cb 0.04 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3g2b h THR 83 CO -0.03 0.18 -0.25 -0.07 0.37 0.00 0.00 175.52 175.72 3g2b h LEU 84 N 0.45 0.28 -0.36 2.58 3.38 -0.85 -2.20 115.31 118.60 3g2b h LEU 84 Ca 0.13 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3g2b h LEU 84 Cb 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3g2b h LEU 84 CO -0.02 0.54 -0.26 -0.74 0.09 0.00 0.00 178.44 178.06 3g2b h HIS 85 N 0.26 0.95 -0.44 1.13 2.76 -0.39 -2.16 115.15 117.25 3g2b h HIS 85 Ca 0.04 -0.26 0.01 0.00 -2.20 0.00 0.00 60.37 57.96 3g2b h HIS 85 Cb 0.59 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3g2b h HIS 85 CO 0.01 1.03 0.29 1.96 -1.30 0.00 0.00 177.93 179.93 3g2b h GLN 86 N 0.60 0.56 -0.04 5.26 4.20 -0.75 -0.45 115.11 124.48 3g2b h GLN 86 Ca 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3g2b h GLN 86 Cb 0.83 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3g2b h GLN 86 CO 0.07 0.37 0.00 1.63 -0.67 0.00 0.00 178.83 180.23 3g2b n LYS 87 N -4.47 1.12 -3.47 1.46 5.02 -0.86 -4.89 118.16 112.07 3g2b n LYS 87 Ca 0.04 -0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 55.92 3g2b n LYS 87 Cb 0.08 -1.13 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 3g2b n LYS 87 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g2b n ARG 88 N -0.44 -7.23 0.00 1.97 5.12 -0.18 -4.92 116.66 110.98 3g2b n ARG 88 Ca 0.06 0.81 0.08 0.00 -1.93 0.00 0.00 57.85 56.88 3g2b n ARG 88 Cb 0.07 -5.74 -0.01 0.00 -1.16 0.00 0.00 32.46 25.61 3g2b n ARG 88 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3g2b n LEU 89 N -4.69 1.62 -4.45 0.55 4.77 -0.84 -5.02 117.00 108.95 3g2b n LEU 89 Ca -0.01 -0.74 -0.26 0.00 -0.03 0.00 0.00 56.01 54.97 3g2b n LEU 89 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 3g2b n LEU 89 CO 0.60 0.31 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.71 3g2b s LEU 90 N -2.18 2.52 -0.17 2.23 1.43 -1.26 -5.02 118.68 116.23 3g2b s LEU 90 Ca 0.14 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3g2b s LEU 90 Cb 0.14 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 3g2b s LEU 90 CO 0.46 0.09 -0.09 -0.60 0.23 0.00 0.00 176.35 176.44 3g2b s ARG 91 N -3.00 3.37 0.00 1.70 3.52 -1.26 -5.03 118.95 118.25 3g2b s ARG 91 Ca 0.24 -0.66 0.18 0.00 -0.13 0.00 0.00 55.73 55.36 3g2b s ARG 91 Cb -0.07 -2.81 0.14 0.00 -1.56 0.00 0.00 34.95 30.65 3g2b s ARG 91 CO 0.12 0.01 1.06 1.28 -0.81 0.00 0.00 175.30 176.96