#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bei s VAL 4 N 0.00 2.21 -0.03 -3.33 1.01 -1.26 -0.47 120.40 118.53 2bei s VAL 4 Ca 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2bei s VAL 4 Cb 0.00 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2bei s VAL 4 CO 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 175.10 175.53 2bei s ARG 5 N -0.68 1.34 -0.20 2.72 1.70 -0.23 -4.97 118.95 118.62 2bei s ARG 5 Ca 0.10 -0.48 -0.11 0.00 -0.47 0.00 0.00 55.73 54.78 2bei s ARG 5 Cb -0.10 -1.22 -0.05 0.00 -0.57 0.00 0.00 34.95 33.01 2bei s ARG 5 CO -0.00 0.21 0.17 0.42 -1.08 0.00 0.00 175.30 175.01 2bei s ILE 6 N 0.01 5.38 0.09 4.99 -1.09 -1.26 -1.30 121.20 128.02 2bei s ILE 6 Ca -0.01 0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.58 2bei s ILE 6 Cb -0.09 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2bei s ILE 6 CO 0.01 0.41 0.18 0.00 -1.23 0.00 0.00 174.94 174.31 2bei s ARG 7 N 0.54 0.86 0.30 2.79 1.70 0.03 -4.98 118.95 120.19 2bei s ARG 7 Ca 0.09 -1.02 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 2bei s ARG 7 Cb -0.12 0.33 -0.13 0.00 -0.57 0.00 0.00 34.95 34.46 2bei s ARG 7 CO 0.00 -0.27 1.25 0.39 -1.08 0.00 0.00 175.30 175.59 2bei n GLU 8 N -0.06 1.89 -2.01 3.89 1.02 -1.26 -0.40 120.64 123.70 2bei n GLU 8 Ca -0.14 0.67 -0.35 0.00 -0.02 0.00 0.00 57.16 57.32 2bei n GLU 8 Cb 0.62 -2.21 0.03 0.00 -0.02 0.00 0.00 31.44 29.86 2bei n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bei s ALA 9 N -0.82 2.55 0.31 0.62 0.00 -0.45 -4.71 121.76 119.25 2bei s ALA 9 Ca 0.60 0.90 0.10 0.00 0.00 0.00 0.00 51.96 53.56 2bei s ALA 9 Cb -0.63 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 2bei s ALA 9 CO 0.59 -1.12 -0.08 0.15 0.00 0.00 0.00 175.76 175.30 2bei s LYS 10 N -3.44 1.95 0.38 0.00 1.02 -1.26 -4.98 119.74 113.41 2bei s LYS 10 Ca 0.75 -1.73 0.15 0.00 0.02 0.00 0.00 55.97 55.15 2bei s LYS 10 Cb -0.27 -1.88 1.00 0.00 -0.52 0.00 0.00 37.83 36.16 2bei s LYS 10 CO 0.33 0.24 1.81 0.93 -0.92 0.00 0.00 175.35 177.74 2bei h GLU 11 N 2.00 0.48 0.00 1.68 5.08 -1.97 0.64 114.58 122.49 2bei h GLU 11 Ca -0.42 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2bei h GLU 11 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2bei h GLU 11 CO 0.64 0.32 0.00 0.78 -1.00 0.00 0.00 179.01 179.75 2bei h GLY 12 N 0.50 0.00 1.57 -3.84 0.00 -2.03 -2.30 103.07 96.97 2bei h GLY 12 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2bei h GLY 12 CO -0.26 0.00 -0.10 1.22 0.00 0.00 0.00 176.54 177.41 2bei n ASP 13 N -2.82 0.16 -0.26 0.19 8.00 0.22 -4.40 116.55 117.63 2bei n ASP 13 Ca -0.02 0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.58 2bei n ASP 13 Cb 0.10 -0.27 0.24 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.03 -0.17 1.00 0.00 0.00 -1.83 0.18 103.07 103.28 2bei h GLY 15 Ca 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 2bei h GLY 15 CO -0.10 -0.12 0.33 -0.55 0.00 0.00 0.00 176.54 176.10 2bei h ASP 16 N -0.21 0.82 -0.76 0.19 3.32 -1.61 -2.35 116.42 115.82 2bei h ASP 16 Ca 0.03 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2bei h ASP 16 Cb 0.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2bei h ASP 16 CO -0.09 0.70 0.35 0.40 -1.72 0.00 0.00 179.24 178.88 2bei h ILE 17 N 0.88 1.25 -0.70 0.35 2.04 -0.78 -1.82 117.51 118.73 2bei h ILE 17 Ca 0.22 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 2bei h ILE 17 Cb 0.08 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2bei h ILE 17 CO -0.03 0.30 0.28 0.25 0.00 0.00 0.00 178.15 178.94 2bei h LEU 18 N 1.07 0.96 -0.76 1.44 5.85 -0.74 0.17 115.31 123.30 2bei h LEU 18 Ca 0.26 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2bei h LEU 18 Cb 0.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2bei h LEU 18 CO -0.03 0.87 0.50 0.03 -0.34 0.00 0.00 178.44 179.47 2bei h ARG 19 N 0.99 1.00 -0.11 1.25 3.08 -1.20 -1.87 114.38 117.53 2bei h ARG 19 Ca 0.23 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 2bei h ARG 19 Cb 0.21 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2bei h ARG 19 CO -0.02 0.67 -0.61 -0.07 -1.07 0.00 0.00 179.97 178.86 2bei h LEU 20 N 1.03 0.44 -0.66 3.04 3.38 -0.79 -1.92 115.31 119.83 2bei h LEU 20 Ca 0.28 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2bei h LEU 20 Cb -0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2bei h LEU 20 CO -0.06 0.95 0.43 0.40 0.09 0.00 0.00 178.44 180.24 2bei h ILE 21 N 0.29 1.13 -0.63 1.22 2.04 -0.45 -0.10 117.51 121.01 2bei h ILE 21 Ca -0.01 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2bei h ILE 21 Cb 1.15 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2bei h ILE 21 CO 0.10 0.16 0.36 0.03 0.00 0.00 0.00 178.15 178.80 2bei h ARG 22 N 0.85 0.86 -0.33 2.37 3.08 -1.07 -0.64 114.38 119.51 2bei h ARG 22 Ca 0.25 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 2bei h ARG 22 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2bei h ARG 22 CO -0.08 0.62 -0.01 0.93 -1.07 0.00 0.00 179.97 180.37 2bei h GLU 23 N 0.87 0.59 -0.47 0.04 4.39 -0.60 -2.29 114.58 117.12 2bei h GLU 23 Ca 0.23 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 2bei h GLU 23 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2bei h GLU 23 CO -0.04 0.73 -0.25 1.25 -1.16 0.00 0.00 179.01 179.54 2bei h LEU 24 N 0.39 1.03 -0.69 1.33 5.85 -0.69 -0.02 115.31 122.52 2bei h LEU 24 Ca 0.09 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2bei h LEU 24 Cb 0.47 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2bei h LEU 24 CO 0.02 1.21 0.42 0.00 -0.34 0.00 0.00 178.44 179.75 2bei h ALA 25 N 0.85 0.91 -0.29 1.25 0.00 -1.06 -0.21 119.26 120.71 2bei h ALA 25 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2bei h ALA 25 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2bei h ALA 25 CO 0.07 0.15 -0.03 1.49 0.00 0.00 0.00 179.25 180.93 2bei h GLU 26 N 0.80 0.54 -0.78 0.00 4.57 -1.19 0.01 114.58 118.52 2bei h GLU 26 Ca 0.29 -0.19 0.14 0.00 -1.18 0.00 0.00 59.36 58.42 2bei h GLU 26 Cb 0.08 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.54 2bei h GLU 26 CO -0.13 0.71 0.34 0.35 -1.18 0.00 0.00 179.01 179.10 2bei h PHE 27 N 0.32 0.59 -0.00 0.92 3.57 -0.50 -1.33 116.94 120.51 2bei h PHE 27 Ca 0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2bei h PHE 27 Cb 0.49 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2bei h PHE 27 CO 0.04 0.10 -0.01 0.39 -2.23 0.00 0.00 178.31 176.60 2bei n GLU 28 N -4.96 0.21 -2.80 1.11 1.02 -0.13 -4.96 120.64 110.12 2bei n GLU 28 Ca 0.15 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 2bei n GLU 28 Cb 0.42 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.39 -1.60 -0.53 3.49 5.02 -0.47 -5.08 118.16 117.61 2bei n LYS 29 Ca 0.10 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2bei n LYS 29 Cb 0.29 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 2bei n LYS 29 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bei n LEU 30 N -2.64 -1.08 -2.83 -0.35 4.77 -0.14 -5.02 117.00 109.71 2bei n LEU 30 Ca -0.05 1.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.82 2bei n LEU 30 Cb 0.58 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 2bei n LEU 30 CO 0.44 -0.01 0.19 0.29 -1.33 0.00 0.00 177.39 176.97 2bei n LYS 35 N -1.32 1.04 -4.85 3.23 4.76 -1.26 -4.79 118.16 114.98 2bei n LYS 35 Ca 0.00 -2.36 -0.33 0.00 -2.87 0.00 0.00 58.31 52.75 2bei n LYS 35 Cb 0.06 -1.06 -0.16 0.00 -1.84 0.00 0.00 35.03 32.03 2bei n LYS 35 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2bei s ILE 36 N -0.65 2.36 0.37 -0.18 1.01 -1.26 -5.09 121.20 117.76 2bei s ILE 36 Ca 0.27 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2bei s ILE 36 Cb 0.33 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2bei s ILE 36 CO -0.06 0.54 0.60 -0.94 0.00 0.00 0.00 174.94 175.08 2bei s SER 37 N 0.58 6.31 0.30 3.58 1.04 -1.26 -4.98 113.70 119.26 2bei s SER 37 Ca -0.11 0.58 0.02 0.00 0.48 0.00 0.00 55.95 56.92 2bei s SER 37 Cb -0.16 -2.09 0.56 0.00 0.10 0.00 0.00 66.02 64.42 2bei s SER 37 CO 0.04 -0.34 1.88 -0.08 0.98 0.00 0.00 173.24 175.71 2bei h GLU 38 N 0.76 0.97 -0.06 4.02 4.81 -2.00 -1.65 114.58 121.42 2bei h GLU 38 Ca -0.49 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2bei h GLU 38 Cb 1.21 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 2bei h GLU 38 CO 0.62 0.64 -0.18 1.49 -0.73 0.00 0.00 179.01 180.85 2bei h GLU 39 N 0.99 -0.25 -0.54 1.92 4.81 -1.97 -2.04 114.58 117.50 2bei h GLU 39 Ca 0.43 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.76 2bei h GLU 39 Cb 0.35 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2bei h GLU 39 CO -0.19 -0.17 0.19 0.00 -0.73 0.00 0.00 179.01 178.11 2bei h ALA 40 N 0.71 0.67 -0.34 2.92 0.00 -1.71 -1.43 119.26 120.09 2bei h ALA 40 Ca 0.08 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2bei h ALA 40 Cb 0.36 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2bei h ALA 40 CO -0.21 -0.21 -0.06 -0.07 0.00 0.00 0.00 179.25 178.70 2bei h LEU 41 N 0.37 -0.27 -0.71 0.00 4.07 -1.15 0.31 115.31 117.92 2bei h LEU 41 Ca 0.26 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 2bei h LEU 41 Cb 0.30 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 2bei h LEU 41 CO -0.27 -0.09 0.40 0.03 -1.08 0.00 0.00 178.44 177.43 2bei h ARG 42 N 0.02 0.99 0.16 1.13 3.08 -0.78 0.76 114.38 119.75 2bei h ARG 42 Ca 0.16 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2bei h ARG 42 Cb 0.24 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2bei h ARG 42 CO -0.33 0.73 -0.08 0.00 -1.07 0.00 0.00 179.97 179.22 2bei h ALA 43 N 1.20 -0.22 -0.26 0.04 0.00 -0.91 -3.20 119.26 115.92 2bei h ALA 43 Ca 0.25 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2bei h ALA 43 Cb 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2bei h ALA 43 CO -0.04 -0.37 -0.46 -0.44 0.00 0.00 0.00 179.25 177.94 2bei h ASP 44 N -0.72 0.72 0.33 0.00 3.32 -0.40 -1.50 116.42 118.17 2bei h ASP 44 Ca -0.02 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2bei h ASP 44 Cb 0.51 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2bei h ASP 44 CO 0.04 1.06 -0.41 0.61 -1.72 0.00 0.00 179.24 178.82 2bei n GLY 45 N 0.13 -0.88 0.00 2.75 0.00 0.26 0.36 105.19 107.80 2bei n GLY 45 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.04 0.00 0.00 1.61 3.01 -1.21 -4.71 117.46 115.12 2bei n PHE 46 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2bei n PHE 46 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2bei n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bei n GLY 47 N 0.00 -1.47 0.41 1.37 0.00 -0.56 -4.83 105.19 100.11 2bei n GLY 47 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2bei n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bei n ASP 48 N 0.00 1.53 -0.06 1.61 2.03 -1.26 -4.72 116.55 115.67 2bei n ASP 48 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2bei n ASP 48 Cb 0.00 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2bei n ASP 48 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2bei n ASN 49 N -4.02 -0.78 -4.78 1.67 3.02 -1.26 -5.15 115.26 103.96 2bei n ASN 49 Ca -0.22 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 53.96 2bei n ASN 49 Cb 0.53 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 2bei n ASN 49 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2bei s PRO 50 N -3.06 4.55 0.22 3.52 0.04 -1.26 -4.93 135.00 134.07 2bei s PRO 50 Ca 0.00 1.20 0.08 0.00 0.04 0.00 0.00 61.00 62.32 2bei s PRO 50 Cb 0.00 -3.03 0.18 0.00 0.04 0.00 0.00 34.50 31.69 2bei s PRO 50 CO 0.00 0.43 1.50 0.74 0.04 0.00 0.00 177.00 179.71 2bei h PHE 51 N 3.72 0.06 -3.19 0.56 0.04 -0.42 -3.48 116.94 114.23 2bei h PHE 51 Ca -0.47 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.24 2bei h PHE 51 Cb 1.20 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.31 2bei h PHE 51 CO 0.63 0.76 0.18 1.52 -0.60 0.00 0.00 178.31 180.80 2bei s TYR 52 N -3.37 0.19 -0.01 -0.55 -0.85 -1.25 -4.85 117.35 106.66 2bei s TYR 52 Ca -0.01 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.81 2bei s TYR 52 Cb 0.12 0.65 -0.00 0.00 0.38 0.00 0.00 41.96 43.11 2bei s TYR 52 CO 0.79 -1.41 -0.04 -1.01 -1.52 0.00 0.00 175.55 172.36 2bei s HIS 53 N -2.87 0.42 -0.09 -3.49 3.76 0.19 -4.51 115.29 108.71 2bei s HIS 53 Ca 0.17 -0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 2bei s HIS 53 Cb -0.04 -0.29 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 2bei s HIS 53 CO 0.11 -0.02 -0.19 0.00 -0.85 0.00 0.00 174.74 173.79 2bei s LEU 55 N -0.02 3.18 0.04 0.00 1.43 0.12 -1.34 118.68 122.09 2bei s LEU 55 Ca -0.06 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2bei s LEU 55 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2bei s LEU 55 CO 0.05 0.33 -0.19 0.68 0.23 0.00 0.00 176.35 177.45 2bei s VAL 56 N -0.88 2.71 -0.24 -1.59 -7.23 0.46 -0.91 120.40 112.72 2bei s VAL 56 Ca 0.14 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.00 2bei s VAL 56 Cb -0.11 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2bei s VAL 56 CO 0.04 0.34 0.15 0.00 -0.31 0.00 0.00 175.10 175.32 2bei s ALA 57 N -0.91 3.57 -0.06 1.32 0.00 -0.43 -0.79 121.76 124.46 2bei s ALA 57 Ca 0.14 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2bei s ALA 57 Cb -0.10 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.73 2bei s ALA 57 CO 0.05 -0.21 -0.07 -2.00 0.00 0.00 0.00 175.76 173.53 2bei s GLU 58 N 1.09 1.15 -0.00 0.00 2.12 -0.42 -0.59 118.70 122.04 2bei s GLU 58 Ca 0.07 -0.19 -0.21 0.00 0.36 0.00 0.00 54.97 55.00 2bei s GLU 58 Cb -0.14 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.09 2bei s GLU 58 CO 0.05 -0.10 0.61 0.42 -0.54 0.00 0.00 175.26 175.70 2bei s ILE 59 N 1.06 4.90 -0.43 -3.70 -1.09 0.21 -1.07 121.20 121.08 2bei s ILE 59 Ca -0.08 1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 59.52 2bei s ILE 59 Cb -0.14 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 2bei s ILE 59 CO -0.01 0.40 0.28 -0.76 -1.23 0.00 0.00 174.94 173.63 2bei s LEU 60 N -0.12 5.21 0.00 2.97 1.43 0.39 -2.17 118.68 126.37 2bei s LEU 60 Ca 0.32 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2bei s LEU 60 Cb -0.18 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2bei s LEU 60 CO 0.18 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2bei n GLY 68 N 4.98 -2.32 3.80 -3.19 0.00 -1.26 -3.43 105.19 103.77 2bei n GLY 68 Ca -0.11 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2bei n GLY 68 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bei s PRO 69 N 0.00 4.38 0.02 1.61 0.02 -1.26 -5.07 135.00 134.70 2bei s PRO 69 Ca 0.00 1.21 0.01 0.00 0.02 0.00 0.00 61.00 62.24 2bei s PRO 69 Cb 0.00 -2.44 -0.01 0.00 0.02 0.00 0.00 34.50 32.06 2bei s PRO 69 CO 0.00 0.10 -0.05 0.00 -0.33 0.00 0.00 177.00 176.72 2bei s VAL 71 N -0.76 4.99 -0.01 0.00 1.01 -1.26 -0.62 120.40 123.75 2bei s VAL 71 Ca -0.05 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2bei s VAL 71 Cb -0.06 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2bei s VAL 71 CO -0.00 0.07 0.59 1.33 0.00 0.00 0.00 175.10 177.09 2bei n VAL 72 N 4.89 0.17 -3.68 2.92 0.24 0.24 -4.99 118.33 118.13 2bei n VAL 72 Ca -0.01 -0.59 -0.03 0.00 -2.04 0.00 0.00 64.34 61.68 2bei n VAL 72 Cb 0.49 0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.18 -0.32 0.21 7.63 0.00 -1.19 -4.48 107.32 109.00 2bei s GLY 73 Ca 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 44.72 45.02 2bei s GLY 73 CO 0.00 0.11 0.55 -2.52 0.00 0.00 0.00 173.10 171.24 2bei s TYR 74 N -2.96 -0.11 0.06 1.90 1.13 0.02 -1.32 117.35 116.07 2bei s TYR 74 Ca 0.12 -0.24 0.02 0.00 -1.41 0.00 0.00 57.07 55.56 2bei s TYR 74 Cb 0.01 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 2bei s TYR 74 CO -0.01 -0.97 -0.07 0.20 -2.51 0.00 0.00 175.55 172.19 2bei s GLY 75 N -2.88 0.57 -0.06 5.49 0.00 -0.08 -1.89 107.32 108.46 2bei s GLY 75 Ca 0.10 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.89 2bei s GLY 75 CO -0.01 -1.03 -0.14 -0.42 0.00 0.00 0.00 173.10 171.49 2bei s ILE 76 N -2.23 1.28 0.12 0.90 1.01 -0.47 -0.71 121.20 121.11 2bei s ILE 76 Ca -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2bei s ILE 76 Cb -0.04 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 2bei s ILE 76 CO -0.02 0.38 -0.02 -0.72 0.00 0.00 0.00 174.94 174.57 2bei s TYR 77 N 0.44 0.94 0.28 3.97 -0.85 0.40 -0.54 117.35 121.98 2bei s TYR 77 Ca -0.12 -1.03 -0.01 0.00 -0.52 0.00 0.00 57.07 55.39 2bei s TYR 77 Cb -0.14 -0.55 -0.02 0.00 0.38 0.00 0.00 41.96 41.63 2bei s TYR 77 CO 0.04 -0.27 0.32 1.52 -1.52 0.00 0.00 175.55 175.64 2bei s TYR 78 N -3.75 1.16 -0.09 -3.49 -0.85 -0.58 -0.63 117.35 109.12 2bei s TYR 78 Ca 0.17 -1.32 -0.15 0.00 -0.52 0.00 0.00 57.07 55.25 2bei s TYR 78 Cb 0.06 -0.35 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 2bei s TYR 78 CO -0.02 -0.90 0.38 -0.06 -1.52 0.00 0.00 175.55 173.44 2bei s PHE 79 N -3.64 3.58 0.00 -3.49 0.08 -1.26 -0.20 117.98 113.05 2bei s PHE 79 Ca 0.34 0.83 0.00 0.00 0.12 0.00 0.00 56.93 58.22 2bei s PHE 79 Cb 0.03 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 2bei s PHE 79 CO 0.18 0.40 0.00 0.44 -0.10 0.00 0.00 175.22 176.13 2bei n ILE 80 N 2.86 0.00 -3.72 0.64 -5.35 0.43 -4.91 119.36 109.32 2bei n ILE 80 Ca -0.12 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 2bei n ILE 80 Cb 0.52 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.33 2bei n ILE 80 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2bei s TYR 81 N -0.42 -0.37 -0.04 4.28 5.04 -1.26 -2.47 117.35 122.11 2bei s TYR 81 Ca 0.00 0.79 0.06 0.00 -2.44 0.00 0.00 57.07 55.48 2bei s TYR 81 Cb 0.00 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 2bei s TYR 81 CO 0.00 -0.32 -0.22 0.45 -1.34 0.00 0.00 175.55 174.12 2bei s SER 82 N -0.50 3.38 0.10 4.32 0.15 -0.12 -4.92 113.70 116.11 2bei s SER 82 Ca -0.06 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.43 2bei s SER 82 Cb -0.04 -0.69 0.95 0.00 -1.71 0.00 0.00 66.02 64.53 2bei s SER 82 CO 0.03 0.30 1.75 0.35 1.20 0.00 0.00 173.24 176.87 2bei n THR 83 N 2.61 0.51 -0.06 6.45 -2.24 -1.26 0.19 114.28 120.48 2bei n THR 83 Ca -0.17 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2bei n THR 83 Cb 0.52 -0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 67.86 2bei n THR 83 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2bei n TRP 84 N -1.83 0.49 0.04 4.78 7.02 -1.26 -4.67 117.44 122.02 2bei n TRP 84 Ca 0.05 0.17 0.03 0.00 -1.02 0.00 0.00 57.50 56.72 2bei n TRP 84 Cb 0.31 -1.09 -0.04 0.00 -2.42 0.00 0.00 31.31 28.07 2bei n TRP 84 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2bei n LYS 85 N -2.95 1.12 0.00 -0.99 4.76 -1.17 -5.12 118.16 113.81 2bei n LYS 85 Ca -0.27 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 2bei n LYS 85 Cb 1.10 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 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 1.99 0.61 3.68 0.72 0.00 0.13 -4.87 105.19 107.45 2bei n GLY 86 Ca -0.01 -1.15 -0.45 0.00 0.00 0.00 0.00 46.02 44.41 2bei n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bei n ARG 87 N 7.51 2.31 -3.93 1.61 1.74 -1.26 -0.95 116.66 123.69 2bei n ARG 87 Ca 0.00 0.84 -0.10 0.00 -0.77 0.00 0.00 57.85 57.82 2bei n ARG 87 Cb 0.00 -2.63 -0.11 0.00 -1.02 0.00 0.00 32.46 28.70 2bei n ARG 87 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2bei s THR 88 N 1.33 0.09 0.06 0.55 2.01 -1.03 -3.20 115.64 115.44 2bei s THR 88 Ca 0.79 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2bei s THR 88 Cb -0.63 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2bei s THR 88 CO 0.38 -0.40 0.14 -0.63 -0.69 0.00 0.00 174.62 173.41 2bei s ILE 89 N -1.25 4.95 -0.15 1.82 1.01 -1.01 -0.43 121.20 126.15 2bei s ILE 89 Ca -0.14 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2bei s ILE 89 Cb -0.08 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 39.02 2bei s ILE 89 CO -0.00 0.17 -0.19 -0.47 0.00 0.00 0.00 174.94 174.45 2bei s TYR 90 N -1.41 2.53 -0.50 3.97 5.04 0.72 -0.78 117.35 126.91 2bei s TYR 90 Ca 0.31 -1.38 -0.21 0.00 -2.44 0.00 0.00 57.07 53.35 2bei s TYR 90 Cb -0.13 -1.76 0.04 0.00 0.35 0.00 0.00 41.96 40.47 2bei s TYR 90 CO 0.23 -0.68 0.74 -1.17 -1.34 0.00 0.00 175.55 173.34 2bei s LEU 91 N 1.12 4.54 -0.14 6.97 2.96 0.85 -1.52 118.68 133.47 2bei s LEU 91 Ca -0.01 -0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 53.14 2bei s LEU 91 Cb -0.14 -2.66 -0.17 0.00 0.50 0.00 0.00 46.19 43.71 2bei s LEU 91 CO -0.07 -0.98 0.43 -0.08 -1.32 0.00 0.00 176.35 174.33 2bei h GLU 92 N 9.07 0.00 -6.49 1.98 4.57 -1.11 -3.40 114.58 119.20 2bei h GLU 92 Ca -0.26 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.24 2bei h GLU 92 Cb 1.09 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.38 2bei h GLU 92 CO 0.99 0.70 -0.88 -0.51 -1.18 0.00 0.00 179.01 178.13 2bei s ASP 93 N -6.15 2.92 -0.10 1.04 1.11 -1.05 -4.91 116.67 109.54 2bei s ASP 93 Ca -0.16 -0.45 -0.06 0.00 0.18 0.00 0.00 52.55 52.05 2bei s ASP 93 Cb -0.00 -0.32 0.04 0.00 1.07 0.00 0.00 42.92 43.70 2bei s ASP 93 CO 0.48 0.30 0.24 -0.51 1.18 0.00 0.00 175.17 176.87 2bei s ILE 94 N -0.59 -0.03 -0.24 0.77 2.07 -1.26 -1.37 121.20 120.55 2bei s ILE 94 Ca 0.10 0.09 -0.19 0.00 -1.41 0.00 0.00 60.65 59.24 2bei s ILE 94 Cb -0.10 -0.36 0.07 0.00 0.13 0.00 0.00 42.46 42.20 2bei s ILE 94 CO -0.01 0.04 0.63 -0.47 -1.91 0.00 0.00 174.94 173.21 2bei s TYR 95 N 0.84 -0.77 0.00 3.50 5.04 -0.79 -5.01 117.35 120.16 2bei s TYR 95 Ca -0.06 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2bei s TYR 95 Cb -0.07 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.57 2bei s TYR 95 CO -0.05 -0.38 0.00 0.28 -1.34 0.00 0.00 175.55 174.06 2bei n VAL 96 N 3.25 0.00 -0.07 3.14 0.31 -1.26 -0.80 118.33 122.91 2bei n VAL 96 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 2bei n VAL 96 Cb 0.56 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.64 0.16 5.55 -0.02 -1.26 -4.80 135.00 135.27 2bei n PRO 98 Ca 0.00 0.42 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 2bei n PRO 98 Cb 0.00 -1.70 0.75 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.56 0.00 -0.50 -0.52 5.08 -2.07 -2.86 114.58 113.15 2bei h GLU 99 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2bei h GLU 99 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2bei h GLU 99 CO -0.11 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.56 2bei n TYR 100 N -4.12 0.67 -1.91 4.33 4.01 -1.26 -5.00 117.16 113.87 2bei n TYR 100 Ca 0.03 -0.42 -0.31 0.00 -0.16 0.00 0.00 57.90 57.04 2bei n TYR 100 Cb 0.36 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.09 3.55 -1.50 -0.72 0.52 -1.08 -4.09 118.95 114.54 2bei s ARG 101 Ca 0.37 0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 56.34 2bei s ARG 101 Cb 0.20 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.60 2bei s ARG 101 CO 0.26 -0.61 0.78 0.41 0.02 0.00 0.00 175.30 176.16 2bei n GLY 102 N -2.41 -0.52 1.42 -3.53 0.00 -1.26 -4.88 105.19 94.01 2bei n GLY 102 Ca 0.06 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.28 2bei n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bei n GLN 103 N -4.31 0.48 -0.90 1.61 10.64 -1.26 -5.01 117.38 118.63 2bei n GLN 103 Ca -0.08 -2.39 0.00 0.00 -1.83 0.00 0.00 57.00 52.70 2bei n GLN 103 Cb 0.60 -0.46 0.00 0.00 -0.86 0.00 0.00 30.24 29.53 2bei n GLN 103 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2bei n GLY 104 N 0.09 0.93 0.16 2.61 0.00 -1.26 -4.94 105.19 102.78 2bei n GLY 104 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 1.28 -0.74 -0.61 2.04 -1.95 -1.49 117.51 116.04 2bei h ILE 105 Ca 0.00 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2bei h ILE 105 Cb 0.00 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2bei h ILE 105 CO 0.00 0.32 0.42 1.23 0.00 0.00 0.00 178.15 180.12 2bei h GLY 106 N 0.21 1.09 1.27 5.37 0.00 -1.92 -0.17 103.07 108.92 2bei h GLY 106 Ca 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2bei h GLY 106 CO 0.02 0.46 0.35 1.76 0.00 0.00 0.00 176.54 179.13 2bei h SER 107 N 1.01 0.86 -0.24 0.19 0.02 -1.96 -1.48 113.55 111.96 2bei h SER 107 Ca 0.26 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2bei h SER 107 Cb 0.01 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2bei h SER 107 CO -0.05 0.71 -0.20 0.11 -1.14 0.00 0.00 176.83 176.26 2bei h LYS 108 N 0.96 0.69 -0.36 3.45 1.57 -0.60 -0.49 116.57 121.79 2bei h LYS 108 Ca 0.24 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2bei h LYS 108 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2bei h LYS 108 CO -0.04 0.84 0.07 0.82 -0.57 0.00 0.00 179.45 180.57 2bei h ILE 109 N 0.61 1.23 -0.39 1.86 2.04 -0.52 -1.49 117.51 120.86 2bei h ILE 109 Ca 0.09 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2bei h ILE 109 Cb 0.67 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2bei h ILE 109 CO 0.05 0.27 0.25 0.40 0.00 0.00 0.00 178.15 179.12 2bei h ILE 110 N 0.43 1.11 -0.95 -0.67 2.04 -1.13 -1.41 117.51 116.93 2bei h ILE 110 Ca 0.11 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2bei h ILE 110 Cb 0.34 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2bei h ILE 110 CO 0.00 0.11 0.62 0.11 0.00 0.00 0.00 178.15 178.99 2bei h LYS 111 N 0.52 1.10 -0.67 2.37 1.57 -1.02 -1.05 116.57 119.39 2bei h LYS 111 Ca 0.14 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2bei h LYS 111 Cb -0.04 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 2bei h LYS 111 CO -0.03 0.73 0.10 -0.22 -0.57 0.00 0.00 179.45 179.45 2bei h LYS 112 N 1.13 1.11 -0.65 3.15 1.63 -0.76 -0.79 116.57 121.40 2bei h LYS 112 Ca 0.40 -0.30 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 2bei h LYS 112 Cb 0.13 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2bei h LYS 112 CO -0.14 1.02 0.26 0.28 -3.45 0.00 0.00 179.45 177.42 2bei h VAL 113 N 1.04 1.24 -0.86 2.00 2.07 -0.70 -0.29 116.25 120.75 2bei h VAL 113 Ca 0.20 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2bei h VAL 113 Cb 0.46 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2bei h VAL 113 CO 0.01 0.29 0.56 0.00 0.02 0.00 0.00 177.57 178.45 2bei h ALA 114 N 1.11 1.09 -0.01 1.67 0.00 -0.86 0.13 119.26 122.39 2bei h ALA 114 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2bei h ALA 114 Cb 0.20 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2bei h ALA 114 CO -0.02 0.51 0.01 0.93 0.00 0.00 0.00 179.25 180.68 2bei h GLU 115 N 1.16 0.02 -0.74 0.00 5.08 -0.81 -1.93 114.58 117.37 2bei h GLU 115 Ca 0.31 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.74 2bei h GLU 115 Cb -0.11 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 2bei h GLU 115 CO -0.07 0.05 0.42 0.28 -1.00 0.00 0.00 179.01 178.70 2bei h VAL 116 N -0.02 0.97 0.01 3.13 2.07 -0.86 -1.51 116.25 120.05 2bei h VAL 116 Ca 0.00 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2bei h VAL 116 Cb 0.04 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 2bei h VAL 116 CO -0.00 0.14 -0.43 0.00 0.02 0.00 0.00 177.57 177.30 2bei h ALA 117 N 1.38 -0.71 -0.91 1.67 0.00 -0.38 -0.72 119.26 119.59 2bei h ALA 117 Ca 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2bei h ALA 117 Cb 0.21 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2bei h ALA 117 CO -0.19 -0.98 0.51 -0.07 0.00 0.00 0.00 179.25 178.52 2bei h LEU 118 N -0.60 1.13 -1.72 0.00 3.38 -1.11 0.13 115.31 116.52 2bei h LEU 118 Ca 0.04 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2bei h LEU 118 Cb 0.67 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2bei h LEU 118 CO -0.31 0.90 0.23 -0.78 0.09 0.00 0.00 178.44 178.57 2bei h ASP 119 N 1.27 0.32 -0.65 -0.43 3.58 -0.85 -1.59 116.42 118.08 2bei h ASP 119 Ca 0.32 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2bei h ASP 119 Cb 0.01 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2bei h ASP 119 CO -0.05 0.23 0.00 0.29 -2.88 0.00 0.00 179.24 176.82 2bei n LYS 120 N -4.49 3.61 -1.98 0.28 4.76 -0.31 -4.94 118.16 115.10 2bei n LYS 120 Ca 0.03 -2.86 -0.09 0.00 -2.87 0.00 0.00 58.31 52.52 2bei n LYS 120 Cb 0.14 -1.85 -0.01 0.00 -1.84 0.00 0.00 35.03 31.47 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 1.15 0.23 3.44 0.72 0.00 -0.60 -5.00 105.19 105.14 2bei n GLY 121 Ca 0.25 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2bei n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bei h SER 123 N 8.39 0.00 -5.12 0.00 4.64 -1.82 -3.25 113.55 116.39 2bei h SER 123 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 2bei h SER 123 Cb 1.14 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 2bei h SER 123 CO 0.63 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 176.41 2bei s GLN 124 N -3.34 1.03 0.01 4.77 -2.07 -1.26 -5.02 119.66 113.78 2bei s GLN 124 Ca 0.06 -0.84 -0.02 0.00 -1.82 0.00 0.00 55.36 52.73 2bei s GLN 124 Cb 0.09 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.42 2bei s GLN 124 CO 0.55 -0.39 0.02 -0.59 -1.32 0.00 0.00 175.29 173.57 2bei s PHE 125 N -3.84 0.17 0.17 9.60 -0.71 -1.26 -2.39 117.98 119.71 2bei s PHE 125 Ca 0.05 -0.35 0.10 0.00 -1.04 0.00 0.00 56.93 55.69 2bei s PHE 125 Cb 0.03 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2bei s PHE 125 CO -0.10 -0.19 -0.17 0.50 -1.34 0.00 0.00 175.22 173.92 2bei s ARG 126 N -1.24 1.80 0.19 1.99 3.52 0.04 -4.96 118.95 120.28 2bei s ARG 126 Ca -0.14 -1.33 -0.13 0.00 -0.13 0.00 0.00 55.73 54.01 2bei s ARG 126 Cb -0.08 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 2bei s ARG 126 CO -0.00 0.44 0.41 -0.48 -0.81 0.00 0.00 175.30 174.85 2bei s LEU 127 N -2.58 0.52 -0.00 -0.88 0.05 -1.26 -0.10 118.68 114.43 2bei s LEU 127 Ca 0.21 -0.75 0.08 0.00 0.05 0.00 0.00 54.13 53.72 2bei s LEU 127 Cb -0.09 1.64 -0.02 0.00 -2.05 0.00 0.00 46.19 45.67 2bei s LEU 127 CO 0.12 -1.00 -0.25 0.00 -0.55 0.00 0.00 176.35 174.67 2bei s ALA 128 N -3.95 2.11 -0.02 1.48 0.00 -1.26 -5.03 121.76 115.09 2bei s ALA 128 Ca 0.16 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 2bei s ALA 128 Cb 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2bei s ALA 128 CO 0.01 0.51 0.15 0.54 0.00 0.00 0.00 175.76 176.97 2bei s VAL 129 N -0.65 0.06 0.19 0.00 0.11 -1.26 -5.05 120.40 113.80 2bei s VAL 129 Ca 0.10 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.38 2bei s VAL 129 Cb -0.10 -0.37 -0.08 0.00 -1.53 0.00 0.00 36.38 34.30 2bei s VAL 129 CO -0.00 -0.26 1.12 -0.76 -3.33 0.00 0.00 175.10 171.86 2bei s LEU 130 N -0.93 4.49 0.34 2.54 1.43 -1.26 -4.94 118.68 120.36 2bei s LEU 130 Ca -0.10 2.14 0.26 0.00 -1.03 0.00 0.00 54.13 55.40 2bei s LEU 130 Cb -0.06 -3.61 1.17 0.00 0.03 0.00 0.00 46.19 43.72 2bei s LEU 130 CO 0.01 -0.23 1.79 -2.24 0.23 0.00 0.00 176.35 175.90 2bei h ASP 131 N 4.93 0.00 1.41 2.29 2.03 -2.03 -0.27 116.42 124.78 2bei h ASP 131 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2bei h ASP 131 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2bei h ASP 131 CO 0.72 0.00 0.00 4.11 -1.03 0.00 0.00 179.24 183.04 2bei h TRP 132 N 0.00 0.00 -1.21 4.15 5.08 -2.06 -3.37 115.95 118.54 2bei h TRP 132 Ca 0.00 0.00 -0.75 0.00 1.08 0.00 0.00 58.89 59.22 2bei h TRP 132 Cb 0.30 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.32 2bei h TRP 132 CO 0.00 0.00 2.22 -1.71 -1.28 0.00 0.00 178.44 177.67 2bei n ASN 133 N -2.92 5.52 0.17 0.11 2.85 -0.11 -4.74 115.26 116.13 2bei n ASN 133 Ca 0.03 -3.08 0.01 0.00 -0.11 0.00 0.00 54.58 51.42 2bei n ASN 133 Cb 0.39 -1.48 0.29 0.00 1.24 0.00 0.00 39.78 40.23 2bei n ASN 133 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2bei h GLN 134 N 5.57 0.00 -0.44 1.20 1.08 -1.81 -2.77 115.11 117.94 2bei h GLN 134 Ca 0.47 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.55 2bei h GLN 134 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2bei h GLN 134 CO 1.63 0.47 -0.20 0.00 -0.95 0.00 0.00 178.83 179.78 2bei h ARG 135 N 0.00 0.86 -0.82 1.46 3.08 -1.96 0.58 114.38 117.58 2bei h ARG 135 Ca -0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2bei h ARG 135 Cb 0.83 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2bei h ARG 135 CO 0.06 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.94 2bei n ALA 136 N -2.50 1.54 0.00 0.04 0.00 -1.05 -2.05 120.51 116.49 2bei n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bei n ALA 136 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.55 0.00 0.01 0.00 8.00 0.19 -1.49 116.55 123.82 2bei n ASP 138 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 2bei n ASP 138 Cb 0.09 0.00 -0.07 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 0.05 -0.76 0.64 5.85 -1.66 -0.04 115.31 119.38 2bei h LEU 139 Ca 0.00 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2bei h LEU 139 Cb 0.00 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2bei h LEU 139 CO 0.00 0.16 0.45 1.88 -0.34 0.00 0.00 178.44 180.59 2bei h TYR 140 N -0.07 0.83 -0.65 1.25 0.05 -1.56 0.59 116.97 117.41 2bei h TYR 140 Ca 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2bei h TYR 140 Cb 0.13 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 2bei h TYR 140 CO -0.03 0.41 0.28 0.87 -1.05 0.00 0.00 178.16 178.64 2bei h LYS 141 N 0.82 0.95 -0.61 4.88 1.57 -1.71 -1.10 116.57 121.38 2bei h LYS 141 Ca 0.34 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2bei h LYS 141 Cb 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2bei h LYS 141 CO -0.18 0.78 0.40 0.00 -0.57 0.00 0.00 179.45 179.89 2bei h ALA 142 N 1.12 1.68 -0.06 3.86 0.00 -0.14 -1.62 119.26 124.10 2bei h ALA 142 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bei h ALA 142 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bei h ALA 142 CO -0.02 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.76 2bei n LEU 143 N -4.46 1.01 0.00 0.00 4.77 0.12 -4.92 117.00 113.51 2bei n LEU 143 Ca 0.07 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2bei n LEU 143 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2bei n LEU 143 CO 0.35 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2bei n GLY 144 N 1.05 0.78 3.79 -0.72 0.00 -0.61 -5.06 105.19 104.42 2bei n GLY 144 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 2.78 -0.11 4.61 0.00 -0.47 -4.98 121.76 121.58 2bei s ALA 145 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 2bei s ALA 145 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2bei s ALA 145 CO 0.00 -0.56 0.05 -0.65 0.00 0.00 0.00 175.76 174.60 2bei s GLN 146 N -3.38 3.31 -0.63 0.00 -1.52 -1.26 -4.35 119.66 111.83 2bei s GLN 146 Ca 0.69 -0.32 -0.27 0.00 -1.95 0.00 0.00 55.36 53.51 2bei s GLN 146 Cb -0.19 -2.99 0.03 0.00 -0.22 0.00 0.00 33.01 29.65 2bei s GLN 146 CO 0.25 0.64 1.17 0.34 -0.25 0.00 0.00 175.29 177.43 2bei s ASP 147 N -0.68 6.32 0.34 5.90 -1.08 -1.26 -4.88 116.67 121.33 2bei s ASP 147 Ca 0.12 -0.21 0.23 0.00 -0.52 0.00 0.00 52.55 52.16 2bei s ASP 147 Cb -0.12 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.15 2bei s ASP 147 CO 0.02 -1.55 1.49 -0.07 0.52 0.00 0.00 175.17 175.58 2bei h LEU 148 N 12.08 0.00 0.34 -1.34 3.38 -1.97 -0.16 115.31 127.65 2bei h LEU 148 Ca -0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 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 1.20 0.01 -0.17 0.74 0.09 0.00 0.00 178.44 180.31 2bei h THR 149 N 0.00 0.68 -0.26 0.22 2.02 -1.90 0.12 112.91 113.78 2bei h THR 149 Ca 0.00 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2bei h THR 149 Cb 0.95 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2bei h THR 149 CO 0.00 0.05 -0.09 -0.33 0.37 0.00 0.00 175.52 175.52 2bei h GLU 150 N -0.60 0.52 -0.22 6.66 5.08 -1.87 0.90 114.58 125.05 2bei h GLU 150 Ca -0.05 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 2bei h GLU 150 Cb 0.44 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2bei h GLU 150 CO 0.08 0.75 -0.30 0.00 -1.00 0.00 0.00 179.01 178.54 2bei h ALA 151 N 0.76 0.34 0.00 3.43 0.00 -1.10 -3.40 119.26 119.29 2bei h ALA 151 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2bei h ALA 151 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bei h ALA 151 CO 0.03 0.36 -1.14 0.39 0.00 0.00 0.00 179.25 178.89 2bei n GLU 152 N -4.31 0.51 0.00 0.00 1.02 0.37 -5.04 120.64 113.19 2bei n GLU 152 Ca -0.05 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2bei n GLU 152 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 2.16 1.01 3.71 0.62 0.00 0.31 -5.00 105.19 108.00 2bei n GLY 153 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2bei n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bei s TRP 154 N -2.00 2.85 -0.15 1.61 0.52 -1.23 -4.98 118.94 115.56 2bei s TRP 154 Ca 0.00 0.52 -0.01 0.00 0.02 0.00 0.00 56.10 56.63 2bei s TRP 154 Cb 0.00 -3.94 -0.01 0.00 -1.15 0.00 0.00 33.47 28.37 2bei s TRP 154 CO 0.00 -3.57 -0.12 -1.01 0.02 0.00 0.00 176.95 172.27 2bei s HIS 155 N 1.65 2.83 0.08 -1.98 3.76 -1.26 -4.45 115.29 115.92 2bei s HIS 155 Ca 0.71 -0.79 -0.31 0.00 -0.15 0.00 0.00 55.06 54.52 2bei s HIS 155 Cb -0.42 -1.90 -0.07 0.00 1.11 0.00 0.00 32.58 31.29 2bei s HIS 155 CO 0.32 -0.33 1.43 -0.06 -0.85 0.00 0.00 174.74 175.25 2bei s PHE 156 N 0.65 3.04 0.04 1.40 0.08 -1.26 -5.05 117.98 116.88 2bei s PHE 156 Ca -0.07 0.83 0.05 0.00 0.12 0.00 0.00 56.93 57.87 2bei s PHE 156 Cb -0.15 -3.72 -0.04 0.00 -0.57 0.00 0.00 43.02 38.54 2bei s PHE 156 CO 0.02 -2.62 -0.10 -0.06 -0.10 0.00 0.00 175.22 172.37 2bei s PHE 157 N 1.61 2.78 -0.04 0.36 0.40 -1.26 -5.14 117.98 116.69 2bei s PHE 157 Ca 0.66 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 2bei s PHE 157 Cb -0.36 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.67 2bei s PHE 157 CO 0.30 0.37 -0.03 0.00 0.70 0.00 0.00 175.22 176.56 2bei s PHE 159 N 1.04 3.26 0.01 0.00 0.40 -1.26 -5.07 117.98 116.37 2bei s PHE 159 Ca -0.09 0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 2bei s PHE 159 Cb -0.14 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 2bei s PHE 159 CO -0.01 0.21 -0.20 -0.65 0.70 0.00 0.00 175.22 175.27 2bei s GLN 160 N 0.18 1.52 7.32 0.44 -0.21 -1.26 -4.66 119.66 122.99 2bei s GLN 160 Ca 0.04 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2bei s GLN 160 Cb -0.12 -1.54 0.00 0.00 1.00 0.00 0.00 33.01 32.35 2bei s GLN 160 CO 0.01 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2bei n GLY 161 N 2.27 4.22 0.31 3.09 0.00 -1.26 -1.46 105.19 112.37 2bei n GLY 161 Ca -0.16 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2bei n GLY 161 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bei h GLU 162 N 0.00 0.23 -0.66 1.61 4.39 -1.98 -2.18 114.58 115.99 2bei h GLU 162 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2bei h GLU 162 Cb 0.00 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2bei h GLU 162 CO 0.00 0.15 0.37 0.00 -1.16 0.00 0.00 179.01 178.37 2bei h ALA 163 N 1.82 0.84 -0.43 3.43 0.00 -1.63 0.11 119.26 123.39 2bei h ALA 163 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2bei h ALA 163 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2bei h ALA 163 CO -0.03 0.35 -0.16 1.15 0.00 0.00 0.00 179.25 180.55 2bei h THR 164 N 0.90 1.27 -0.84 0.00 2.02 -1.53 0.25 112.91 114.97 2bei h THR 164 Ca 0.23 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 2bei h THR 164 Cb 0.02 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2bei h THR 164 CO -0.04 0.43 0.39 0.03 0.37 0.00 0.00 175.52 176.70 2bei h ARG 165 N 0.73 1.22 -0.35 6.66 3.08 -0.87 -0.33 114.38 124.52 2bei h ARG 165 Ca 0.11 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 2bei h ARG 165 Cb 0.68 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2bei h ARG 165 CO 0.05 0.95 -0.35 0.87 -1.07 0.00 0.00 179.97 180.42 2bei h LYS 166 N 1.20 0.85 -0.78 0.04 1.57 -0.49 -2.91 116.57 116.06 2bei h LYS 166 Ca 0.29 -0.45 0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2bei h LYS 166 Cb 0.14 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 2bei h LYS 166 CO -0.03 1.09 0.39 1.25 -0.57 0.00 0.00 179.45 181.58 2bei h LEU 167 N 0.65 0.48 0.00 2.94 5.85 -0.72 0.99 115.31 125.50 2bei h LEU 167 Ca 0.06 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2bei h LEU 167 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2bei h LEU 167 CO 0.09 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 2bei n ALA 168 N -2.43 2.20 -0.40 1.25 0.00 -0.15 -5.09 120.51 115.88 2bei n ALA 168 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2bei n ALA 168 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2bei n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91