#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bei s SER 3 N 0.00 7.04 -0.01 0.00 0.15 -1.26 -5.02 113.70 114.60 2bei s SER 3 Ca 0.00 1.93 0.01 0.00 0.70 0.00 0.00 55.95 58.59 2bei s SER 3 Cb 0.00 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2bei s SER 3 CO 0.00 -0.56 -0.05 0.54 1.20 0.00 0.00 173.24 174.38 2bei s VAL 4 N 1.81 0.38 0.04 4.45 0.11 -1.26 -4.43 120.40 121.50 2bei s VAL 4 Ca 0.58 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 59.49 2bei s VAL 4 Cb -0.27 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2bei s VAL 4 CO 0.25 0.12 -0.10 0.00 -3.33 0.00 0.00 175.10 172.04 2bei s ARG 5 N -0.02 2.34 -0.22 1.54 1.70 0.22 -4.94 118.95 119.57 2bei s ARG 5 Ca 0.01 -0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 54.35 2bei s ARG 5 Cb -0.03 -2.39 -0.02 0.00 -0.57 0.00 0.00 34.95 31.94 2bei s ARG 5 CO -0.00 0.56 0.01 0.42 -1.08 0.00 0.00 175.30 175.21 2bei s ILE 6 N -1.05 3.96 0.09 4.99 -1.09 -1.26 -0.48 121.20 126.36 2bei s ILE 6 Ca 0.18 -0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 58.29 2bei s ILE 6 Cb -0.11 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2bei s ILE 6 CO 0.09 0.40 0.00 0.00 -1.23 0.00 0.00 174.94 174.21 2bei s ARG 7 N 1.23 0.79 0.28 2.79 1.70 -0.52 -4.96 118.95 120.25 2bei s ARG 7 Ca 0.04 -1.34 -0.30 0.00 -0.47 0.00 0.00 55.73 53.66 2bei s ARG 7 Cb -0.15 0.16 -0.11 0.00 -0.57 0.00 0.00 34.95 34.29 2bei s ARG 7 CO 0.01 -0.17 1.56 -1.21 -1.08 0.00 0.00 175.30 174.42 2bei s GLU 8 N -3.97 4.16 0.66 3.89 2.02 -1.26 -1.12 118.70 123.08 2bei s GLU 8 Ca 0.15 2.51 -0.17 0.00 0.02 0.00 0.00 54.97 57.48 2bei s GLU 8 Cb 0.07 -3.05 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 2bei s GLU 8 CO -0.04 -0.58 1.28 0.00 0.02 0.00 0.00 175.26 175.93 2bei s ALA 9 N 0.03 2.32 0.26 5.21 0.00 0.05 -4.78 121.76 124.84 2bei s ALA 9 Ca 0.63 1.15 0.11 0.00 0.00 0.00 0.00 51.96 53.85 2bei s ALA 9 Cb -0.46 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.07 2bei s ALA 9 CO 0.46 -1.66 -0.15 0.15 0.00 0.00 0.00 175.76 174.57 2bei s LYS 10 N -3.48 1.85 0.32 0.00 1.02 -1.26 -4.94 119.74 113.25 2bei s LYS 10 Ca 0.81 -1.61 0.08 0.00 0.02 0.00 0.00 55.97 55.27 2bei s LYS 10 Cb -0.36 -1.91 0.81 0.00 -0.52 0.00 0.00 37.83 35.85 2bei s LYS 10 CO 0.41 0.36 1.78 1.49 -0.92 0.00 0.00 175.35 178.47 2bei h GLU 11 N 2.34 0.67 0.00 1.68 4.81 -1.96 0.10 114.58 122.22 2bei h GLU 11 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2bei h GLU 11 Cb 1.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2bei h GLU 11 CO 0.58 0.45 0.00 0.41 -0.73 0.00 0.00 179.01 179.72 2bei n GLY 12 N -1.36 -0.73 0.16 1.92 0.00 -1.26 -2.18 105.19 101.74 2bei n GLY 12 Ca 0.23 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.35 2bei n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bei n ASP 13 N -1.36 0.60 -0.07 1.61 8.00 0.35 -4.40 116.55 121.27 2bei n ASP 13 Ca 0.04 -0.72 -0.03 0.00 0.71 0.00 0.00 54.79 54.79 2bei n ASP 13 Cb 0.10 -0.04 0.20 0.00 -0.02 0.00 0.00 41.12 41.37 2bei n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bei h GLY 15 N 0.94 0.48 1.09 0.00 0.00 -1.83 -0.53 103.07 103.21 2bei h GLY 15 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 2bei h GLY 15 CO 0.02 -0.05 -0.09 -0.55 0.00 0.00 0.00 176.54 175.86 2bei h ASP 16 N 0.19 1.04 -0.37 0.19 3.32 -1.53 -0.36 116.42 118.89 2bei h ASP 16 Ca 0.20 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.92 2bei h ASP 16 Cb 0.26 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2bei h ASP 16 CO -0.28 1.13 0.22 0.40 -1.72 0.00 0.00 179.24 178.99 2bei h ILE 17 N 0.92 1.04 -0.59 0.35 2.04 -0.70 -1.43 117.51 119.13 2bei h ILE 17 Ca 0.15 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2bei h ILE 17 Cb 0.66 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2bei h ILE 17 CO 0.05 0.08 0.19 0.25 0.00 0.00 0.00 178.15 178.72 2bei h LEU 18 N 0.44 0.86 -0.71 1.44 5.85 -0.99 -1.10 115.31 121.11 2bei h LEU 18 Ca 0.14 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2bei h LEU 18 Cb -0.00 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2bei h LEU 18 CO -0.06 0.83 0.42 -0.09 -0.34 0.00 0.00 178.44 179.20 2bei h ARG 19 N 0.84 0.76 -0.45 1.25 2.43 -0.82 -0.14 114.38 118.25 2bei h ARG 19 Ca 0.19 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2bei h ARG 19 Cb 0.28 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2bei h ARG 19 CO -0.01 0.50 0.07 -0.07 -1.51 0.00 0.00 179.97 178.95 2bei h LEU 20 N 0.78 0.71 -0.32 3.80 3.38 -0.93 -0.33 115.31 122.41 2bei h LEU 20 Ca 0.31 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2bei h LEU 20 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2bei h LEU 20 CO -0.16 0.79 0.16 0.40 0.09 0.00 0.00 178.44 179.72 2bei h ILE 21 N 0.60 0.99 -0.48 1.22 2.04 -0.81 -1.72 117.51 119.36 2bei h ILE 21 Ca 0.14 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2bei h ILE 21 Cb 0.38 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2bei h ILE 21 CO 0.01 0.06 0.07 0.03 0.00 0.00 0.00 178.15 178.32 2bei h ARG 22 N 0.33 0.75 -0.36 2.37 3.08 -0.84 -1.52 114.38 118.19 2bei h ARG 22 Ca 0.13 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2bei h ARG 22 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2bei h ARG 22 CO -0.09 0.71 0.15 0.93 -1.07 0.00 0.00 179.97 180.60 2bei h GLU 23 N 0.71 0.53 -0.12 0.04 5.08 -0.62 0.20 114.58 120.40 2bei h GLU 23 Ca 0.15 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2bei h GLU 23 Cb 0.33 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2bei h GLU 23 CO 0.01 0.51 -0.04 1.25 -1.00 0.00 0.00 179.01 179.74 2bei h LEU 24 N 0.43 -0.14 -0.63 1.33 5.85 -1.15 -0.55 115.31 120.45 2bei h LEU 24 Ca 0.12 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2bei h LEU 24 Cb 0.18 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2bei h LEU 24 CO -0.01 -0.05 0.34 0.00 -0.34 0.00 0.00 178.44 178.37 2bei h ALA 25 N 1.10 0.81 -0.57 1.25 0.00 -1.02 -0.84 119.26 119.98 2bei h ALA 25 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2bei h ALA 25 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2bei h ALA 25 CO -0.13 0.33 0.27 1.49 0.00 0.00 0.00 179.25 181.20 2bei h GLU 26 N 0.86 0.83 -1.00 0.00 4.81 -0.85 0.15 114.58 119.38 2bei h GLU 26 Ca 0.22 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2bei h GLU 26 Cb 0.05 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 2bei h GLU 26 CO -0.03 0.68 0.65 0.35 -0.73 0.00 0.00 179.01 179.93 2bei h PHE 27 N 0.78 1.20 -0.05 0.92 3.57 -0.21 -1.56 116.94 121.59 2bei h PHE 27 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2bei h PHE 27 Cb 0.13 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.48 2bei h PHE 27 CO -0.00 0.64 0.00 0.39 -2.23 0.00 0.00 178.31 177.11 2bei n GLU 28 N -4.49 1.25 -3.67 1.11 1.02 -0.41 -4.91 120.64 110.55 2bei n GLU 28 Ca 0.15 -0.37 -0.26 0.00 -0.02 0.00 0.00 57.16 56.66 2bei n GLU 28 Cb 0.17 -1.34 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 2bei n GLU 28 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2bei n LYS 29 N -0.43 -6.74 -1.02 3.49 4.76 -0.59 -4.91 118.16 112.72 2bei n LYS 29 Ca 0.15 0.74 0.05 0.00 -2.87 0.00 0.00 58.31 56.38 2bei n LYS 29 Cb 0.16 -5.72 0.10 0.00 -1.84 0.00 0.00 35.03 27.73 2bei n LYS 29 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2bei n LEU 30 N -4.79 1.73 -0.33 -0.35 4.77 0.44 -4.86 117.00 113.60 2bei n LEU 30 Ca 0.01 -2.81 0.15 0.00 -0.03 0.00 0.00 56.01 53.33 2bei n LEU 30 Cb 0.55 -0.24 0.36 0.00 -2.33 0.00 0.00 43.42 41.76 2bei n LEU 30 CO 0.67 0.88 1.20 0.28 -1.33 0.00 0.00 177.39 179.10 2bei h SER 31 N 0.92 0.71 0.60 -1.43 0.02 -1.88 0.06 113.55 112.54 2bei h SER 31 Ca -0.11 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2bei h SER 31 Cb 1.46 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2bei h SER 31 CO 0.05 0.25 0.00 0.47 -1.14 0.00 0.00 176.83 176.46 2bei n ASP 32 N -4.71 0.59 0.03 3.07 8.00 -1.26 -2.44 116.55 119.83 2bei n ASP 32 Ca 0.23 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.52 2bei n ASP 32 Cb 0.61 -0.78 0.34 0.00 -0.02 0.00 0.00 41.12 41.27 2bei n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bei n GLN 33 N -2.18 0.11 -2.70 -1.24 1.13 0.01 -4.76 117.38 107.75 2bei n GLN 33 Ca 0.02 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 2bei n GLN 33 Cb 0.19 -1.59 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 2bei n GLN 33 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2bei s VAL 34 N -3.06 4.23 -0.32 5.09 1.01 -1.02 -4.81 120.40 121.52 2bei s VAL 34 Ca 0.10 0.78 0.15 0.00 0.00 0.00 0.00 61.98 63.01 2bei s VAL 34 Cb 0.16 -4.60 -0.20 0.00 0.00 0.00 0.00 36.38 31.74 2bei s VAL 34 CO 0.65 -1.13 0.45 0.29 0.00 0.00 0.00 175.10 175.37 2bei n LYS 35 N 7.84 1.26 -1.62 2.72 4.76 -1.26 -5.00 118.16 126.86 2bei n LYS 35 Ca 0.07 -0.07 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2bei n LYS 35 Cb 0.49 -1.27 0.07 0.00 -1.84 0.00 0.00 35.03 32.47 2bei n LYS 35 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2bei s ILE 36 N -2.73 2.50 0.26 -0.18 2.07 -1.26 -5.05 121.20 116.81 2bei s ILE 36 Ca -0.01 0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.58 2bei s ILE 36 Cb 0.10 -2.88 -0.05 0.00 0.13 0.00 0.00 42.46 39.75 2bei s ILE 36 CO 0.61 -0.12 -0.11 -0.94 -1.91 0.00 0.00 174.94 172.47 2bei s SER 37 N -1.99 2.95 0.24 4.50 1.04 -1.26 -5.04 113.70 114.15 2bei s SER 37 Ca 0.74 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2bei s SER 37 Cb -0.28 -0.20 0.27 0.00 0.10 0.00 0.00 66.02 65.91 2bei s SER 37 CO 0.42 -0.21 1.78 -0.08 0.98 0.00 0.00 173.24 176.13 2bei h GLU 38 N 2.33 0.98 -0.69 4.02 4.81 -1.97 -1.91 114.58 122.15 2bei h GLU 38 Ca -0.40 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 2bei h GLU 38 Cb 1.24 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2bei h GLU 38 CO 0.65 0.86 0.33 0.93 -0.73 0.00 0.00 179.01 181.05 2bei h GLU 39 N 0.94 0.99 -0.04 1.92 4.39 -1.96 -0.50 114.58 120.31 2bei h GLU 39 Ca 0.20 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2bei h GLU 39 Cb 0.32 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2bei h GLU 39 CO -0.00 0.77 -0.01 0.00 -1.16 0.00 0.00 179.01 178.61 2bei h ALA 40 N 1.38 0.06 -0.97 3.43 0.00 -1.86 0.12 119.26 121.41 2bei h ALA 40 Ca 0.24 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.11 2bei h ALA 40 Cb 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2bei h ALA 40 CO -0.03 -0.25 0.61 -0.07 0.00 0.00 0.00 179.25 179.51 2bei h LEU 41 N -0.26 0.81 0.20 0.00 3.38 -0.97 0.83 115.31 119.30 2bei h LEU 41 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2bei h LEU 41 Cb 0.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2bei h LEU 41 CO 0.00 0.39 -0.10 0.03 0.09 0.00 0.00 178.44 178.86 2bei h ARG 42 N 0.84 -0.26 -0.57 1.13 3.08 -0.75 -2.39 114.38 115.47 2bei h ARG 42 Ca 0.50 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.52 2bei h ARG 42 Cb 0.67 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2bei h ARG 42 CO -0.27 0.09 0.14 0.00 -1.07 0.00 0.00 179.97 178.86 2bei h ALA 43 N -0.01 0.75 0.00 0.04 0.00 -0.34 -2.09 119.26 117.61 2bei h ALA 43 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2bei h ALA 43 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bei h ALA 43 CO 0.05 0.45 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 2bei n ASP 44 N -4.38 0.81 -0.00 0.00 8.00 0.29 -3.57 116.55 117.69 2bei n ASP 44 Ca 0.03 0.58 0.04 0.00 0.71 0.00 0.00 54.79 56.15 2bei n ASP 44 Cb 0.24 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.48 2bei n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bei n GLY 45 N 1.23 -0.36 0.20 0.44 0.00 -0.90 -0.02 105.19 105.78 2bei n GLY 45 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.90 2bei n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bei n PHE 46 N -1.79 0.00 -1.94 1.61 3.72 -0.79 -4.79 117.46 113.48 2bei n PHE 46 Ca -0.02 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2bei n PHE 46 Cb 0.22 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2bei n PHE 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bei n GLY 47 N -0.25 1.85 0.23 1.37 0.00 -1.23 -5.00 105.19 102.16 2bei n GLY 47 Ca 0.02 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 2bei n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bei h ASP 48 N 0.00 0.86 -2.53 1.61 3.32 -1.96 -3.36 116.42 114.36 2bei h ASP 48 Ca 0.00 -0.48 -0.60 0.00 0.02 0.00 0.00 57.03 55.96 2bei h ASP 48 Cb 0.00 -0.25 -0.41 0.00 0.22 0.00 0.00 39.33 38.89 2bei h ASP 48 CO 0.00 1.26 -0.69 0.59 -1.72 0.00 0.00 179.24 178.68 2bei n ASN 49 N -3.97 2.56 -4.74 6.45 4.13 -1.26 -5.10 115.26 113.33 2bei n ASN 49 Ca -0.05 -3.14 -0.39 0.00 1.68 0.00 0.00 54.58 52.68 2bei n ASN 49 Cb 0.65 -0.69 0.04 0.00 -1.54 0.00 0.00 39.78 38.24 2bei n ASN 49 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2bei n PRO 50 N 1.58 1.73 0.22 3.52 -0.04 -1.26 -4.93 135.00 135.82 2bei n PRO 50 Ca 0.25 0.63 0.12 0.00 -0.04 0.00 0.00 63.50 64.46 2bei n PRO 50 Cb 0.41 -2.55 0.29 0.00 -0.04 0.00 0.00 33.50 31.61 2bei n PRO 50 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2bei h PHE 51 N 1.52 0.00 -3.54 0.54 -1.00 -0.80 -3.48 116.94 110.18 2bei h PHE 51 Ca -0.50 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.22 2bei h PHE 51 Cb 1.30 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.76 2bei h PHE 51 CO 0.46 0.09 -0.10 1.52 -1.61 0.00 0.00 178.31 178.67 2bei s TYR 52 N -3.32 0.13 0.16 -0.55 1.13 -1.25 -4.79 117.35 108.86 2bei s TYR 52 Ca 0.05 -0.49 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 2bei s TYR 52 Cb 0.07 0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 2bei s TYR 52 CO 0.65 -0.88 -0.18 -1.01 -2.51 0.00 0.00 175.55 171.62 2bei s HIS 53 N -3.93 1.80 -0.02 -3.49 3.76 0.93 -4.71 115.29 109.64 2bei s HIS 53 Ca 0.14 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2bei s HIS 53 Cb 0.00 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.81 2bei s HIS 53 CO 0.00 0.31 0.02 0.00 -0.85 0.00 0.00 174.74 174.22 2bei s LEU 55 N 0.81 3.89 0.10 0.00 1.43 -0.18 -0.77 118.68 123.96 2bei s LEU 55 Ca -0.07 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 2bei s LEU 55 Cb -0.10 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2bei s LEU 55 CO -0.02 0.38 -0.18 0.68 0.23 0.00 0.00 176.35 177.45 2bei s VAL 56 N -0.89 2.86 -0.24 -1.59 -7.23 -0.28 -0.44 120.40 112.59 2bei s VAL 56 Ca 0.13 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 2bei s VAL 56 Cb -0.12 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2bei s VAL 56 CO 0.03 0.14 0.20 0.00 -0.31 0.00 0.00 175.10 175.15 2bei s ALA 57 N -1.11 3.59 -0.04 1.32 0.00 0.08 -1.44 121.76 124.16 2bei s ALA 57 Ca 0.18 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2bei s ALA 57 Cb -0.11 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2bei s ALA 57 CO 0.09 -0.26 -0.12 -2.00 0.00 0.00 0.00 175.76 173.47 2bei s GLU 58 N 1.19 1.44 -0.11 0.00 2.12 0.37 -0.73 118.70 122.98 2bei s GLU 58 Ca 0.09 -0.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.90 2bei s GLU 58 Cb -0.14 -1.26 -0.09 0.00 0.26 0.00 0.00 34.13 32.91 2bei s GLU 58 CO 0.06 0.11 0.25 0.82 -0.54 0.00 0.00 175.26 175.96 2bei h ILE 59 N 5.58 0.59 -3.84 -3.70 1.08 -1.86 0.64 117.51 115.99 2bei h ILE 59 Ca -0.32 -1.44 0.00 0.00 -0.39 0.00 0.00 64.86 62.70 2bei h ILE 59 Cb 1.18 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 2bei h ILE 59 CO 0.48 0.20 -0.56 0.00 -0.69 0.00 0.00 178.15 177.58 2bei s VAL 71 N -0.30 4.87 0.00 0.00 1.01 -1.26 -4.93 120.40 119.79 2bei s VAL 71 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2bei s VAL 71 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2bei s VAL 71 CO 0.00 0.01 0.64 1.33 0.00 0.00 0.00 175.10 177.08 2bei n VAL 72 N 4.79 0.34 -3.61 2.92 0.24 0.09 -5.01 118.33 118.11 2bei n VAL 72 Ca 0.05 -0.62 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 2bei n VAL 72 Cb 0.49 0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 33.73 2bei n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2bei s GLY 73 N -0.34 -0.34 0.16 7.63 0.00 -1.23 -4.42 107.32 108.78 2bei s GLY 73 Ca 0.00 1.22 -0.13 0.00 0.00 0.00 0.00 44.72 45.81 2bei s GLY 73 CO 0.00 0.36 0.38 -2.52 0.00 0.00 0.00 173.10 171.32 2bei s TYR 74 N -2.40 0.08 -0.03 1.90 -0.85 0.36 -0.74 117.35 115.66 2bei s TYR 74 Ca 0.12 -0.43 0.01 0.00 -0.52 0.00 0.00 57.07 56.24 2bei s TYR 74 Cb 0.02 0.16 0.02 0.00 0.38 0.00 0.00 41.96 42.54 2bei s TYR 74 CO -0.04 -0.77 -0.04 0.20 -1.52 0.00 0.00 175.55 173.37 2bei s GLY 75 N -2.89 0.39 -0.12 5.49 0.00 0.41 -1.38 107.32 109.22 2bei s GLY 75 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.79 2bei s GLY 75 CO -0.04 0.33 -0.20 -0.42 0.00 0.00 0.00 173.10 172.77 2bei s ILE 76 N 0.72 2.39 0.21 0.90 1.01 0.07 -1.01 121.20 125.49 2bei s ILE 76 Ca -0.09 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 2bei s ILE 76 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2bei s ILE 76 CO -0.00 0.54 0.14 -0.72 0.00 0.00 0.00 174.94 174.90 2bei s TYR 77 N 0.50 1.22 0.19 3.97 1.13 -0.24 -0.40 117.35 123.72 2bei s TYR 77 Ca -0.13 -1.38 -0.17 0.00 -1.41 0.00 0.00 57.07 53.99 2bei s TYR 77 Cb -0.17 -0.60 0.02 0.00 -1.10 0.00 0.00 41.96 40.12 2bei s TYR 77 CO 0.05 -0.63 0.49 1.52 -2.51 0.00 0.00 175.55 174.47 2bei s TYR 78 N -4.09 -0.07 0.26 -3.49 -0.85 -0.73 -0.05 117.35 108.33 2bei s TYR 78 Ca 0.39 -0.28 -0.10 0.00 -0.52 0.00 0.00 57.07 56.57 2bei s TYR 78 Cb 0.07 0.34 -0.07 0.00 0.38 0.00 0.00 41.96 42.68 2bei s TYR 78 CO 0.13 -0.89 0.59 -0.06 -1.52 0.00 0.00 175.55 173.80 2bei s PHE 79 N -3.88 3.43 0.13 -3.49 0.40 -1.26 -0.69 117.98 112.62 2bei s PHE 79 Ca 0.10 0.89 0.05 0.00 -0.60 0.00 0.00 56.93 57.37 2bei s PHE 79 Cb -0.00 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 2bei s PHE 79 CO -0.03 0.21 -0.12 0.96 0.70 0.00 0.00 175.22 176.94 2bei s ILE 80 N -1.92 1.21 -0.44 0.64 -4.36 0.94 -4.91 121.20 112.36 2bei s ILE 80 Ca 0.48 -1.88 -0.07 0.00 -0.26 0.00 0.00 60.65 58.91 2bei s ILE 80 Cb -0.11 -1.67 0.11 0.00 1.25 0.00 0.00 42.46 42.04 2bei s ILE 80 CO 0.23 -0.60 0.28 -0.47 0.24 0.00 0.00 174.94 174.62 2bei s TYR 81 N -2.77 3.46 -0.00 1.37 6.14 -1.26 -0.92 117.35 123.36 2bei s TYR 81 Ca 0.12 -1.97 -0.22 0.00 0.64 0.00 0.00 57.07 55.64 2bei s TYR 81 Cb -0.01 -3.30 -0.05 0.00 0.42 0.00 0.00 41.96 39.02 2bei s TYR 81 CO 0.02 -0.96 0.64 -1.12 0.64 0.00 0.00 175.55 174.77 2bei s SER 82 N 2.31 7.02 0.00 4.32 0.01 -0.50 -4.92 113.70 121.93 2bei s SER 82 Ca 0.06 1.22 0.21 0.00 1.31 0.00 0.00 55.95 58.75 2bei s SER 82 Cb -0.25 -2.39 1.10 0.00 0.21 0.00 0.00 66.02 64.69 2bei s SER 82 CO -0.01 0.06 1.67 0.35 0.41 0.00 0.00 173.24 175.71 2bei n THR 83 N 2.88 0.29 -0.11 1.44 -2.24 -1.26 0.08 114.28 115.36 2bei n THR 83 Ca -0.05 0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.56 2bei n THR 83 Cb 0.51 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.90 2bei n THR 83 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2bei n TRP 84 N -1.24 0.68 -0.09 4.78 -0.00 -1.26 -4.78 117.44 115.52 2bei n TRP 84 Ca 0.11 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 57.90 2bei n TRP 84 Cb 0.15 -1.07 0.00 0.00 -0.00 0.00 0.00 31.31 30.39 2bei n TRP 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2bei n LYS 85 N -4.34 -0.73 0.00 5.87 4.76 -1.13 -5.12 118.16 117.48 2bei n LYS 85 Ca -0.40 -0.50 0.00 0.00 -2.87 0.00 0.00 58.31 54.54 2bei n LYS 85 Cb 0.76 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 33.00 2bei n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bei n GLY 86 N -0.02 0.11 3.71 0.72 0.00 0.11 -4.90 105.19 104.92 2bei n GLY 86 Ca 0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2bei n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bei s ARG 87 N 0.00 4.16 0.00 1.61 0.52 -1.26 -1.42 118.95 122.57 2bei s ARG 87 Ca 0.00 2.49 0.01 0.00 -0.52 0.00 0.00 55.73 57.71 2bei s ARG 87 Cb 0.00 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 2bei s ARG 87 CO 0.00 -0.72 -0.03 0.99 0.02 0.00 0.00 175.30 175.56 2bei s THR 88 N 1.64 0.24 0.09 0.02 2.01 -0.10 -4.40 115.64 115.14 2bei s THR 88 Ca 0.74 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 2bei s THR 88 Cb -0.46 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 2bei s THR 88 CO 0.33 -0.02 0.50 -0.51 -0.69 0.00 0.00 174.62 174.23 2bei s ILE 89 N -0.28 4.91 -0.10 1.82 2.07 -0.54 -0.04 121.20 129.04 2bei s ILE 89 Ca -0.01 0.86 0.00 0.00 -1.41 0.00 0.00 60.65 60.09 2bei s ILE 89 Cb -0.03 -3.75 0.02 0.00 0.13 0.00 0.00 42.46 38.84 2bei s ILE 89 CO -0.00 0.40 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.88 2bei s TYR 90 N -1.29 1.38 -0.36 3.50 6.14 0.14 -0.41 117.35 126.44 2bei s TYR 90 Ca 0.32 -0.64 -0.22 0.00 0.64 0.00 0.00 57.07 57.17 2bei s TYR 90 Cb -0.16 -1.15 0.01 0.00 0.42 0.00 0.00 41.96 41.08 2bei s TYR 90 CO 0.18 -0.44 0.74 -1.17 0.64 0.00 0.00 175.55 175.49 2bei s LEU 91 N 1.51 4.17 -0.03 6.97 2.96 -0.15 -1.78 118.68 132.34 2bei s LEU 91 Ca 0.01 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 2bei s LEU 91 Cb -0.13 -2.95 -0.28 0.00 0.50 0.00 0.00 46.19 43.33 2bei s LEU 91 CO -0.06 -0.69 0.74 -0.08 -1.32 0.00 0.00 176.35 174.94 2bei h GLU 92 N 8.48 0.25 -1.72 1.98 4.57 -1.06 -3.40 114.58 123.69 2bei h GLU 92 Ca -0.25 -0.43 0.03 0.00 -1.18 0.00 0.00 59.36 57.53 2bei h GLU 92 Cb 1.10 0.16 -0.24 0.00 -0.16 0.00 0.00 28.75 29.61 2bei h GLU 92 CO 0.89 1.10 0.36 0.34 -1.18 0.00 0.00 179.01 180.52 2bei s ASP 93 N -6.96 -0.54 -0.05 1.04 2.15 -1.10 -4.96 116.67 106.25 2bei s ASP 93 Ca -0.12 1.01 0.01 0.00 0.43 0.00 0.00 52.55 53.89 2bei s ASP 93 Cb 0.07 1.02 0.02 0.00 -0.30 0.00 0.00 42.92 43.73 2bei s ASP 93 CO 0.84 -0.20 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.96 2bei s ILE 94 N 0.18 0.59 -0.01 4.11 1.01 -1.26 -0.75 121.20 125.07 2bei s ILE 94 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.55 2bei s ILE 94 Cb -0.05 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 2bei s ILE 94 CO -0.03 0.24 -0.05 -0.47 0.00 0.00 0.00 174.94 174.63 2bei s TYR 95 N 1.00 0.51 0.00 3.97 5.04 -0.48 -4.99 117.35 122.40 2bei s TYR 95 Ca -0.10 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2bei s TYR 95 Cb -0.14 -0.35 0.00 0.00 0.35 0.00 0.00 41.96 41.82 2bei s TYR 95 CO -0.00 -0.03 0.00 0.28 -1.34 0.00 0.00 175.55 174.46 2bei n VAL 96 N 3.07 0.00 -0.11 3.14 0.31 -1.26 -0.48 118.33 123.00 2bei n VAL 96 Ca -0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 2bei n VAL 96 Cb 0.57 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.36 2bei n VAL 96 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2bei n PRO 98 N 0.00 0.67 0.27 5.55 -0.02 -1.26 -4.78 135.00 135.44 2bei n PRO 98 Ca 0.00 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 2bei n PRO 98 Cb 0.00 -1.54 0.73 0.00 -0.02 0.00 0.00 33.50 32.68 2bei n PRO 98 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2bei h GLU 99 N 0.00 0.00 -0.51 -0.52 3.07 -2.07 -1.61 114.58 112.95 2bei h GLU 99 Ca -0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2bei h GLU 99 Cb 2.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 2bei h GLU 99 CO -0.03 0.01 0.00 0.66 -1.40 0.00 0.00 179.01 178.25 2bei n TYR 100 N -4.26 0.68 -0.98 4.33 4.01 -1.26 -5.00 117.16 114.67 2bei n TYR 100 Ca -0.03 -0.37 -0.30 0.00 -0.16 0.00 0.00 57.90 57.04 2bei n TYR 100 Cb 0.10 -0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.28 2bei n TYR 100 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bei s ARG 101 N -1.22 1.06 0.00 -0.72 1.81 -0.61 -3.61 118.95 115.67 2bei s ARG 101 Ca 0.40 1.09 0.00 0.00 -1.72 0.00 0.00 55.73 55.50 2bei s ARG 101 Cb 0.22 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 2bei s ARG 101 CO 0.30 -2.46 0.00 0.41 -0.68 0.00 0.00 175.30 172.87 2bei n GLY 102 N -0.49 1.12 1.12 -3.53 0.00 -1.26 -4.89 105.19 97.27 2bei n GLY 102 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2bei n GLY 102 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bei n GLN 103 N -2.00 2.64 -0.99 1.61 6.02 -1.24 -4.96 117.38 118.46 2bei n GLN 103 Ca 0.00 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.59 2bei n GLN 103 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 2bei n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bei n GLY 104 N 1.33 0.63 0.23 1.08 0.00 -1.26 -4.94 105.19 102.27 2bei n GLY 104 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2bei n GLY 104 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bei h ILE 105 N 0.00 1.22 -1.00 -0.61 2.04 -1.93 -0.74 117.51 116.49 2bei h ILE 105 Ca 0.00 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2bei h ILE 105 Cb 0.03 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2bei h ILE 105 CO 0.00 0.26 0.66 1.23 0.00 0.00 0.00 178.15 180.30 2bei h GLY 106 N 0.68 1.41 1.00 5.37 0.00 -1.94 -0.91 103.07 108.68 2bei h GLY 106 Ca 0.17 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2bei h GLY 106 CO -0.01 0.51 -0.07 1.76 0.00 0.00 0.00 176.54 178.73 2bei h SER 107 N 1.35 0.83 -0.94 0.19 0.02 -1.91 -2.06 113.55 111.04 2bei h SER 107 Ca 0.37 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2bei h SER 107 Cb -0.15 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.12 2bei h SER 107 CO -0.08 0.97 0.61 0.11 -1.14 0.00 0.00 176.83 177.30 2bei h LYS 108 N 0.66 1.24 -0.22 3.45 1.57 -0.78 -1.80 116.57 120.69 2bei h LYS 108 Ca 0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2bei h LYS 108 Cb 0.59 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2bei h LYS 108 CO 0.04 0.83 0.06 0.82 -0.57 0.00 0.00 179.45 180.63 2bei h ILE 109 N 1.27 1.21 -0.46 1.86 2.04 -0.94 -2.25 117.51 120.24 2bei h ILE 109 Ca 0.34 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2bei h ILE 109 Cb -0.12 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2bei h ILE 109 CO -0.07 0.21 0.15 0.40 0.00 0.00 0.00 178.15 178.84 2bei h ILE 110 N 0.18 1.22 -0.69 -0.67 2.04 -1.21 -0.99 117.51 117.38 2bei h ILE 110 Ca 0.07 -0.73 0.14 0.00 1.00 0.00 0.00 64.86 65.34 2bei h ILE 110 Cb 0.27 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 2bei h ILE 110 CO 0.00 0.27 0.17 0.50 0.00 0.00 0.00 178.15 179.09 2bei h LYS 111 N 0.61 0.27 -0.61 2.37 3.64 -1.34 -0.29 116.57 121.22 2bei h LYS 111 Ca 0.15 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2bei h LYS 111 Cb 0.26 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2bei h LYS 111 CO -0.01 0.18 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.13 2bei h LYS 112 N 0.28 1.07 -0.73 1.90 3.64 -0.69 -1.41 116.57 120.64 2bei h LYS 112 Ca 0.38 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2bei h LYS 112 Cb 0.62 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2bei h LYS 112 CO -0.47 1.05 0.27 0.28 -2.27 0.00 0.00 179.45 178.32 2bei h VAL 113 N 0.97 1.25 -0.94 2.00 2.07 -0.52 -1.30 116.25 119.79 2bei h VAL 113 Ca 0.17 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2bei h VAL 113 Cb 0.57 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2bei h VAL 113 CO 0.03 0.33 0.59 0.00 0.02 0.00 0.00 177.57 178.54 2bei h ALA 114 N 1.13 1.20 -0.44 1.67 0.00 -0.78 -1.82 119.26 120.22 2bei h ALA 114 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2bei h ALA 114 Cb 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bei h ALA 114 CO -0.02 0.64 0.08 0.93 0.00 0.00 0.00 179.25 180.88 2bei h GLU 115 N 1.29 0.66 -0.33 0.00 5.08 -0.68 -2.39 114.58 118.22 2bei h GLU 115 Ca 0.34 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2bei h GLU 115 Cb -0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2bei h GLU 115 CO -0.07 0.62 0.16 0.28 -1.00 0.00 0.00 179.01 179.01 2bei h VAL 116 N 0.64 1.16 -0.12 3.13 2.07 -0.43 -0.57 116.25 122.12 2bei h VAL 116 Ca 0.14 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2bei h VAL 116 Cb 0.28 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2bei h VAL 116 CO 0.00 0.16 -0.15 0.00 0.02 0.00 0.00 177.57 177.60 2bei h ALA 117 N 1.02 -0.08 -0.63 1.67 0.00 -1.20 -2.17 119.26 117.87 2bei h ALA 117 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2bei h ALA 117 Cb 0.11 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2bei h ALA 117 CO -0.01 -0.61 0.32 -0.07 0.00 0.00 0.00 179.25 178.88 2bei h LEU 118 N -0.19 0.81 -2.01 0.00 3.38 -1.09 0.14 115.31 116.36 2bei h LEU 118 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2bei h LEU 118 Cb 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2bei h LEU 118 CO -0.24 0.70 0.01 -0.78 0.09 0.00 0.00 178.44 178.23 2bei h ASP 119 N 0.87 0.00 0.02 -0.43 1.82 -0.86 0.72 116.42 118.56 2bei h ASP 119 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2bei h ASP 119 Cb 0.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.10 2bei h ASP 119 CO -0.03 0.00 -0.02 0.29 -1.61 0.00 0.00 179.24 177.87 2bei n LYS 120 N -4.52 1.41 -2.61 0.28 4.76 -0.84 -4.91 118.16 111.74 2bei n LYS 120 Ca -0.03 -0.66 -0.08 0.00 -2.87 0.00 0.00 58.31 54.67 2bei n LYS 120 Cb 0.11 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.83 2bei n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bei n GLY 121 N 1.14 0.26 3.24 0.72 0.00 0.25 -5.05 105.19 105.75 2bei n GLY 121 Ca 0.20 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2bei n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bei n SER 123 N 3.05 1.97 -4.67 0.00 3.41 -1.26 -2.43 113.62 113.68 2bei n SER 123 Ca -0.18 -2.45 -0.36 0.00 -0.26 0.00 0.00 58.87 55.62 2bei n SER 123 Cb 0.52 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 2bei n SER 123 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bei s GLN 124 N -1.77 4.09 -0.07 4.33 -1.52 -1.26 -5.08 119.66 118.38 2bei s GLN 124 Ca 0.15 -0.27 0.01 0.00 -1.95 0.00 0.00 55.36 53.30 2bei s GLN 124 Cb 0.13 -3.45 0.02 0.00 -0.22 0.00 0.00 33.01 29.49 2bei s GLN 124 CO 0.01 0.16 -0.08 0.12 -0.25 0.00 0.00 175.29 175.26 2bei s PHE 125 N 0.75 1.17 0.04 0.91 2.19 -1.26 -1.46 117.98 120.31 2bei s PHE 125 Ca 0.07 -0.44 0.04 0.00 0.33 0.00 0.00 56.93 56.93 2bei s PHE 125 Cb -0.13 -0.95 -0.02 0.00 -1.31 0.00 0.00 43.02 40.62 2bei s PHE 125 CO 0.02 -0.30 -0.12 0.50 1.83 0.00 0.00 175.22 177.15 2bei s ARG 126 N 1.04 0.77 0.30 10.12 3.52 0.45 -4.96 118.95 130.19 2bei s ARG 126 Ca -0.08 -0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 54.64 2bei s ARG 126 Cb -0.14 -0.72 0.02 0.00 -1.56 0.00 0.00 34.95 32.55 2bei s ARG 126 CO -0.00 0.17 0.67 -0.48 -0.81 0.00 0.00 175.30 174.85 2bei s LEU 127 N -1.16 -0.00 -0.01 -0.88 0.05 -1.26 -0.97 118.68 114.44 2bei s LEU 127 Ca -0.01 -0.86 0.06 0.00 0.05 0.00 0.00 54.13 53.38 2bei s LEU 127 Cb -0.08 2.49 -0.03 0.00 -2.05 0.00 0.00 46.19 46.53 2bei s LEU 127 CO 0.01 -1.39 -0.20 0.00 -0.55 0.00 0.00 176.35 174.22 2bei s ALA 128 N -3.50 2.44 -0.04 1.48 0.00 -1.26 -5.02 121.76 115.85 2bei s ALA 128 Ca 0.16 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2bei s ALA 128 Cb -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2bei s ALA 128 CO 0.09 0.55 -0.12 0.08 0.00 0.00 0.00 175.76 176.36 2bei s VAL 129 N -0.74 1.08 0.41 0.00 1.01 -1.26 -5.04 120.40 115.85 2bei s VAL 129 Ca 0.12 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 2bei s VAL 129 Cb -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 2bei s VAL 129 CO 0.01 0.33 1.07 -0.76 0.00 0.00 0.00 175.10 175.76 2bei s LEU 130 N 0.31 4.13 0.05 3.92 1.43 -1.26 -4.93 118.68 122.34 2bei s LEU 130 Ca -0.07 2.10 0.16 0.00 -1.03 0.00 0.00 54.13 55.29 2bei s LEU 130 Cb -0.12 -4.17 0.69 0.00 0.03 0.00 0.00 46.19 42.62 2bei s LEU 130 CO 0.02 -0.56 1.51 -0.90 0.23 0.00 0.00 176.35 176.65 2bei n ASP 131 N -0.10 0.14 0.25 2.29 5.68 -1.26 -1.35 116.55 122.21 2bei n ASP 131 Ca 0.05 0.54 0.15 0.00 -0.50 0.00 0.00 54.79 55.03 2bei n ASP 131 Cb 0.49 -0.56 0.48 0.00 -1.14 0.00 0.00 41.12 40.39 2bei n ASP 131 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2bei h TRP 132 N 0.00 0.00 -1.04 2.11 5.08 -2.07 -3.39 115.95 116.64 2bei h TRP 132 Ca 0.00 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.23 2bei h TRP 132 Cb 0.27 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.31 2bei h TRP 132 CO 0.00 0.00 2.36 -1.71 -1.28 0.00 0.00 178.44 177.81 2bei n ASN 133 N -3.09 5.38 -0.23 0.11 2.85 -0.46 -4.75 115.26 115.07 2bei n ASN 133 Ca 0.02 -3.04 -0.08 0.00 -0.11 0.00 0.00 54.58 51.36 2bei n ASN 133 Cb 0.40 -1.50 0.04 0.00 1.24 0.00 0.00 39.78 39.95 2bei n ASN 133 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2bei h GLN 134 N 5.61 1.09 -0.43 1.20 5.75 -1.84 -2.82 115.11 123.66 2bei h GLN 134 Ca 0.48 -0.29 0.09 0.00 -0.15 0.00 0.00 58.65 58.78 2bei h GLN 134 Cb 0.57 -0.13 -0.09 0.00 1.07 0.00 0.00 27.48 28.91 2bei h GLN 134 CO 1.67 1.00 -0.19 0.00 -2.65 0.00 0.00 178.83 178.65 2bei h ARG 135 N 1.00 -0.10 -0.39 1.69 3.08 -1.98 0.17 114.38 117.86 2bei h ARG 135 Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2bei h ARG 135 Cb 0.44 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2bei h ARG 135 CO 0.01 -0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 2bei n ALA 136 N -2.89 1.37 0.00 0.04 0.00 -1.07 -2.02 120.51 115.94 2bei n ALA 136 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2bei n ALA 136 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2bei n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bei n ASP 138 N 0.45 0.00 -0.09 0.00 8.00 0.61 -0.90 116.55 124.62 2bei n ASP 138 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2bei n ASP 138 Cb 0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2bei n ASP 138 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2bei h LEU 139 N 0.00 0.63 -0.23 0.64 5.85 -1.64 -1.48 115.31 119.08 2bei h LEU 139 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2bei h LEU 139 Cb 0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2bei h LEU 139 CO 0.00 0.93 0.15 1.88 -0.34 0.00 0.00 178.44 181.06 2bei h TYR 140 N 0.34 0.28 -0.85 1.25 0.05 -1.29 -1.08 116.97 115.67 2bei h TYR 140 Ca 0.05 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.89 2bei h TYR 140 Cb 0.72 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 2bei h TYR 140 CO 0.07 0.17 0.53 0.87 -1.05 0.00 0.00 178.16 178.75 2bei h LYS 141 N 0.30 0.97 -0.04 4.88 1.57 -1.74 -0.64 116.57 121.88 2bei h LYS 141 Ca 0.09 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2bei h LYS 141 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2bei h LYS 141 CO -0.02 0.64 -0.16 0.00 -0.57 0.00 0.00 179.45 179.34 2bei h ALA 142 N 1.38 1.66 0.00 3.86 0.00 -0.76 -1.55 119.26 123.85 2bei h ALA 142 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bei h ALA 142 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bei h ALA 142 CO -0.15 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.28 2bei h LEU 143 N 0.06 0.00 0.00 0.00 3.38 -0.66 -3.47 115.31 114.62 2bei h LEU 143 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bei h LEU 143 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2bei h LEU 143 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2bei n GLY 144 N 1.07 1.01 3.78 0.83 0.00 -0.58 -5.10 105.19 106.21 2bei n GLY 144 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2bei n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bei s ALA 145 N -2.00 2.54 -0.11 4.61 0.00 -0.30 -4.98 121.76 121.52 2bei s ALA 145 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 2bei s ALA 145 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2bei s ALA 145 CO 0.00 -1.17 -0.09 -0.65 0.00 0.00 0.00 175.76 173.85 2bei s GLN 146 N -4.15 3.21 -0.59 0.00 -0.21 -1.26 -4.29 119.66 112.37 2bei s GLN 146 Ca 0.66 -0.60 -0.27 0.00 0.02 0.00 0.00 55.36 55.17 2bei s GLN 146 Cb -0.19 -2.68 0.03 0.00 1.00 0.00 0.00 33.01 31.17 2bei s GLN 146 CO 0.41 0.39 1.11 0.34 -2.12 0.00 0.00 175.29 175.42 2bei s ASP 147 N -0.07 6.38 0.37 5.90 -1.08 -1.26 -4.90 116.67 122.01 2bei s ASP 147 Ca -0.00 -0.12 0.18 0.00 -0.52 0.00 0.00 52.55 52.08 2bei s ASP 147 Cb -0.13 -2.51 0.69 0.00 -1.46 0.00 0.00 42.92 39.50 2bei s ASP 147 CO 0.03 -1.43 1.74 -0.07 0.52 0.00 0.00 175.17 175.96 2bei h LEU 148 N 11.71 0.00 0.06 -1.34 3.38 -1.96 0.36 115.31 127.52 2bei h LEU 148 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2bei h LEU 148 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bei h LEU 148 CO 1.16 0.38 -0.03 0.74 0.09 0.00 0.00 178.44 180.79 2bei h THR 149 N 0.00 1.21 0.32 0.22 2.02 -1.91 0.54 112.91 115.31 2bei h THR 149 Ca -0.00 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 2bei h THR 149 Cb 0.87 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2bei h THR 149 CO 0.05 0.25 -0.15 -0.08 0.37 0.00 0.00 175.52 175.95 2bei h GLU 150 N -0.54 -0.42 0.23 6.66 4.81 -1.87 -0.00 114.58 123.46 2bei h GLU 150 Ca -0.01 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2bei h GLU 150 Cb 0.47 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 2bei h GLU 150 CO 0.01 -0.09 -0.40 0.00 -0.73 0.00 0.00 179.01 177.80 2bei h ALA 151 N -0.55 -0.78 -0.01 2.92 0.00 -0.40 -3.36 119.26 117.08 2bei h ALA 151 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bei h ALA 151 Cb 0.52 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bei h ALA 151 CO 0.07 -0.99 -0.17 0.39 0.00 0.00 0.00 179.25 178.55 2bei n GLU 152 N -5.47 1.73 -1.10 0.00 1.02 0.10 -5.01 120.64 111.91 2bei n GLU 152 Ca -0.08 -0.73 -0.04 0.00 -0.02 0.00 0.00 57.16 56.29 2bei n GLU 152 Cb 0.38 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 2bei n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bei n GLY 153 N 0.84 0.66 3.69 0.62 0.00 -0.01 -4.96 105.19 106.03 2bei n GLY 153 Ca 0.05 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2bei n GLY 153 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bei n TRP 154 N -2.83 2.65 -4.73 1.61 7.02 -1.06 -4.93 117.44 115.18 2bei n TRP 154 Ca -0.04 -0.15 -0.33 0.00 -1.02 0.00 0.00 57.50 55.96 2bei n TRP 154 Cb 0.15 -2.73 -0.12 0.00 -2.42 0.00 0.00 31.31 26.19 2bei n TRP 154 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2bei s HIS 155 N 2.63 2.84 -0.38 -5.99 3.76 -1.26 -4.29 115.29 112.61 2bei s HIS 155 Ca 0.81 -0.10 -0.25 0.00 -0.15 0.00 0.00 55.06 55.37 2bei s HIS 155 Cb -0.48 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.53 2bei s HIS 155 CO 0.37 0.23 0.89 0.12 -0.85 0.00 0.00 174.74 175.50 2bei s PHE 156 N -0.66 3.07 0.05 1.40 5.99 -1.26 -5.06 117.98 121.51 2bei s PHE 156 Ca 0.10 0.67 0.04 0.00 0.00 0.00 0.00 56.93 57.73 2bei s PHE 156 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 43.02 39.24 2bei s PHE 156 CO 0.01 -0.84 -0.00 -0.06 -0.00 0.00 0.00 175.22 174.33 2bei s PHE 157 N 3.42 3.01 -0.04 10.12 0.40 -1.26 -5.13 117.98 128.51 2bei s PHE 157 Ca 0.36 0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2bei s PHE 157 Cb -0.12 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.85 2bei s PHE 157 CO 0.19 0.47 0.06 0.00 0.70 0.00 0.00 175.22 176.64 2bei s PHE 159 N 1.70 2.96 0.00 0.00 0.40 -1.26 -5.05 117.98 116.72 2bei s PHE 159 Ca -0.01 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2bei s PHE 159 Cb -0.12 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.70 2bei s PHE 159 CO -0.03 -1.09 0.00 1.04 0.70 0.00 0.00 175.22 175.84 2bei n GLN 160 N 6.76 0.28 -0.17 0.44 6.02 -1.26 -4.61 117.38 124.83 2bei n GLN 160 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2bei n GLN 160 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 2bei n GLN 160 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2bei h GLY 161 N 0.00 0.81 0.74 1.08 0.00 -1.99 -0.01 103.07 103.71 2bei h GLY 161 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2bei h GLY 161 CO 0.00 0.47 -0.02 -2.09 0.00 0.00 0.00 176.54 174.89 2bei h GLU 162 N 0.64 0.23 -0.53 4.80 4.81 -2.00 -1.89 114.58 120.64 2bei h GLU 162 Ca 0.15 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2bei h GLU 162 Cb 0.31 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2bei h GLU 162 CO -0.00 0.52 0.28 0.00 -0.73 0.00 0.00 179.01 179.08 2bei h ALA 163 N 0.71 0.68 -0.21 2.92 0.00 -1.89 -0.76 119.26 120.71 2bei h ALA 163 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bei h ALA 163 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bei h ALA 163 CO 0.01 -0.06 0.11 1.15 0.00 0.00 0.00 179.25 180.46 2bei h THR 164 N 0.54 1.13 -0.72 0.00 2.02 -0.92 -1.40 112.91 113.57 2bei h THR 164 Ca 0.23 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 67.12 2bei h THR 164 Cb 0.13 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2bei h THR 164 CO -0.15 0.13 0.40 0.03 0.37 0.00 0.00 175.52 176.29 2bei h ARG 165 N 0.22 0.70 -0.01 6.66 3.08 -0.91 -1.16 114.38 122.96 2bei h ARG 165 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2bei h ARG 165 Cb 0.10 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2bei h ARG 165 CO -0.01 0.46 0.01 -0.22 -1.07 0.00 0.00 179.97 179.14 2bei h LYS 166 N 0.72 0.02 -0.81 0.04 3.64 -0.89 -0.97 116.57 118.32 2bei h LYS 166 Ca 0.33 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.84 2bei h LYS 166 Cb 0.23 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 2bei h LYS 166 CO -0.20 0.13 0.41 -0.07 -2.27 0.00 0.00 179.45 177.44 2bei h LEU 167 N -0.09 0.50 0.00 5.20 3.38 -1.08 -0.81 115.31 122.41 2bei h LEU 167 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bei h LEU 167 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bei h LEU 167 CO -0.00 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.76 2bei n ALA 168 N -2.43 2.34 -1.38 1.53 0.00 -0.46 -4.87 120.51 115.24 2bei n ALA 168 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2bei n ALA 168 Cb 0.38 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2bei n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bei n GLY 169 N 0.55 0.95 0.95 0.00 0.00 -0.31 -5.07 105.19 102.27 2bei n GLY 169 Ca 0.16 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2bei n GLY 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60