#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw s SER 2 N 0.00 -0.14 0.12 1.61 1.04 -1.26 -5.07 113.70 110.00 2crw s SER 2 Ca 0.00 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 55.99 2crw s SER 2 Cb 0.00 0.37 -0.07 0.00 0.10 0.00 0.00 66.02 66.41 2crw s SER 2 CO 0.00 -0.63 1.65 -1.28 0.98 0.00 0.00 173.24 173.96 2crw h SER 3 N 3.17 -0.67 0.00 7.02 0.87 -2.05 -3.48 113.55 118.41 2crw h SER 3 Ca -0.32 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2crw h SER 3 Cb 1.20 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2crw h SER 3 CO 0.46 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.06 2crw n GLY 4 N -1.36 0.84 0.18 5.77 0.00 -1.26 -5.03 105.19 104.34 2crw n GLY 4 Ca -0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 2crw n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2crw h SER 5 N 0.00 -0.11 -3.53 1.61 0.02 -1.99 -3.35 113.55 106.20 2crw h SER 5 Ca 0.00 0.09 -0.69 0.00 -0.84 0.00 0.00 61.79 60.35 2crw h SER 5 Cb 0.00 0.15 -0.35 0.00 0.14 0.00 0.00 62.40 62.35 2crw h SER 5 CO 0.00 -0.02 -0.58 -0.44 -1.14 0.00 0.00 176.83 174.65 2crw s SER 6 N -5.28 5.18 0.00 3.07 0.01 -1.26 -5.03 113.70 110.40 2crw s SER 6 Ca -0.13 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.19 2crw s SER 6 Cb 0.15 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.57 2crw s SER 6 CO 0.72 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2crw n GLY 7 N 4.58 1.75 0.00 3.44 0.00 -1.26 -3.82 105.19 109.87 2crw n GLY 7 Ca -0.03 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2crw n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2crw n MET 8 N 0.74 0.05 0.00 1.61 3.85 -1.26 -4.74 117.12 117.37 2crw n MET 8 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.70 2crw n MET 8 Cb 0.00 -0.64 0.00 0.00 -1.05 0.00 0.00 33.22 31.53 2crw n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2crw n GLY 9 N 2.04 3.79 3.30 3.17 0.00 -1.25 -4.94 105.19 111.29 2crw n GLY 9 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 2crw n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2crw s ASP 10 N 0.00 2.92 -0.38 1.61 1.47 -1.26 -4.90 116.67 116.12 2crw s ASP 10 Ca 0.00 -0.49 -0.28 0.00 1.18 0.00 0.00 52.55 52.96 2crw s ASP 10 Cb 0.00 -0.30 -0.01 0.00 -0.34 0.00 0.00 42.92 42.26 2crw s ASP 10 CO 0.00 0.28 1.72 -2.16 0.68 0.00 0.00 175.17 175.69 2crw s PRO 11 N -0.79 3.30 1.05 2.11 0.04 -1.26 -4.99 135.00 134.46 2crw s PRO 11 Ca 0.10 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 2crw s PRO 11 Cb -0.10 -4.18 0.22 0.00 0.04 0.00 0.00 34.50 30.48 2crw s PRO 11 CO 0.00 -1.90 1.07 -1.12 0.04 0.00 0.00 177.00 175.09 2crw s SER 12 N 5.87 1.98 0.13 6.66 0.01 -1.26 -4.51 113.70 122.58 2crw s SER 12 Ca 0.74 1.62 -0.33 0.00 1.31 0.00 0.00 55.95 59.30 2crw s SER 12 Cb -0.19 -2.29 -0.11 0.00 0.21 0.00 0.00 66.02 63.63 2crw s SER 12 CO 0.32 -3.59 1.54 0.50 0.41 0.00 0.00 173.24 172.41 2crw h LYS 13 N -2.21 -0.40 -0.86 12.44 1.63 -1.94 0.10 116.57 125.33 2crw h LYS 13 Ca -0.55 0.03 0.22 0.00 -0.85 0.00 0.00 60.65 59.50 2crw h LYS 13 Cb 1.31 0.09 -0.15 0.00 -0.60 0.00 0.00 32.23 32.88 2crw h LYS 13 CO 0.50 -0.27 0.12 -0.56 -3.45 0.00 0.00 179.45 175.79 2crw h GLN 14 N -0.42 0.13 0.13 1.90 3.07 -1.99 0.21 115.11 118.15 2crw h GLN 14 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 2crw h GLN 14 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2crw h GLN 14 CO -0.57 0.08 -0.06 -0.44 0.09 0.00 0.00 178.83 177.93 2crw h ASP 15 N 0.13 -0.15 -0.66 0.06 3.32 -1.34 -2.65 116.42 115.13 2crw h ASP 15 Ca 0.52 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.52 2crw h ASP 15 Cb 1.03 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 2crw h ASP 15 CO -0.72 0.04 0.32 0.40 -1.72 0.00 0.00 179.24 177.56 2crw h ILE 16 N -0.35 0.86 0.24 0.35 2.04 0.12 -2.93 117.51 117.85 2crw h ILE 16 Ca -0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2crw h ILE 16 Cb 0.28 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2crw h ILE 16 CO 0.03 0.10 -0.31 -0.07 0.00 0.00 0.00 178.15 177.90 2crw h LEU 17 N 0.56 -0.88 0.00 1.44 3.38 -0.58 -2.84 115.31 116.39 2crw h LEU 17 Ca 0.32 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2crw h LEU 17 Cb 0.31 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2crw h LEU 17 CO -0.25 -0.39 0.00 0.41 0.09 0.00 0.00 178.44 178.30 2crw n THR 18 N -4.26 0.00 -0.24 0.22 -1.04 -1.01 0.34 114.28 108.30 2crw n THR 18 Ca -0.07 1.33 0.23 0.00 -2.04 0.00 0.00 64.05 63.50 2crw n THR 18 Cb 0.27 -1.81 0.42 0.00 -1.82 0.00 0.00 70.33 67.39 2crw n THR 18 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2crw n ILE 19 N -2.48 -0.28 0.06 12.58 5.41 -1.12 0.29 119.36 133.82 2crw n ILE 19 Ca 0.00 1.39 -0.06 0.00 1.00 0.00 0.00 62.75 65.08 2crw n ILE 19 Cb 0.00 -2.26 -0.04 0.00 -0.71 0.00 0.00 39.64 36.64 2crw n ILE 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2crw h PHE 20 N 0.00 -0.23 -1.05 1.39 0.04 0.14 -3.26 116.94 113.97 2crw h PHE 20 Ca 0.59 -0.01 0.35 0.00 2.80 0.00 0.00 57.97 61.71 2crw h PHE 20 Cb 1.61 0.08 -0.15 0.00 2.20 0.00 0.00 35.95 39.69 2crw h PHE 20 CO -0.01 -0.03 0.61 1.57 -0.60 0.00 0.00 178.31 179.85 2crw h LYS 21 N -1.04 0.22 -0.84 1.51 2.10 0.36 1.09 116.57 119.98 2crw h LYS 21 Ca -0.03 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2crw h LYS 21 Cb 0.31 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.55 2crw h LYS 21 CO 0.04 0.15 0.55 -0.09 -2.00 0.00 0.00 179.45 178.10 2crw h ARG 22 N 0.23 1.07 0.21 0.07 1.12 -1.09 -1.80 114.38 114.19 2crw h ARG 22 Ca 0.76 -0.06 -0.34 0.00 -1.11 0.00 0.00 59.98 59.23 2crw h ARG 22 Cb 1.91 -0.24 0.02 0.00 -0.01 0.00 0.00 29.97 31.65 2crw h ARG 22 CO -0.60 0.71 -1.58 -0.07 -3.11 0.00 0.00 179.97 175.32 2crw h LEU 23 N 1.10 0.71 -0.59 3.80 3.38 0.99 -3.35 115.31 121.35 2crw h LEU 23 Ca 0.32 -0.93 0.10 0.00 0.09 0.00 0.00 57.88 57.46 2crw h LEU 23 Cb -0.08 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.36 2crw h LEU 23 CO -0.08 1.74 0.16 0.03 0.09 0.00 0.00 178.44 180.38 2crw h ARG 24 N 0.08 0.30 -0.91 1.13 3.08 -0.24 -2.11 114.38 115.71 2crw h ARG 24 Ca -0.30 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 59.91 2crw h ARG 24 Cb 2.10 -0.07 -0.17 0.00 0.08 0.00 0.00 29.97 31.91 2crw h ARG 24 CO 0.21 0.20 -0.26 0.45 -1.07 0.00 0.00 179.97 179.51 2crw n SER 25 N -5.08 -0.39 -4.65 7.04 2.88 -0.70 -3.60 113.62 109.13 2crw n SER 25 Ca 0.08 1.57 -0.46 0.00 -1.33 0.00 0.00 58.87 58.73 2crw n SER 25 Cb 0.30 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 2crw n SER 25 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2crw n VAL 26 N -5.45 0.74 0.39 2.46 0.31 -0.79 -4.85 118.33 111.13 2crw n VAL 26 Ca 0.13 -0.18 0.12 0.00 -0.01 0.00 0.00 64.34 64.40 2crw n VAL 26 Cb 0.43 -1.31 0.50 0.00 -0.91 0.00 0.00 33.84 32.55 2crw n VAL 26 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2crw n PRO 27 N 2.20 0.20 0.02 5.55 -0.04 -1.26 -1.47 135.00 140.21 2crw n PRO 27 Ca 0.14 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 2crw n PRO 27 Cb 0.29 -1.88 0.03 0.00 -0.04 0.00 0.00 33.50 31.90 2crw n PRO 27 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2crw n THR 28 N -2.25 0.16 -0.09 0.52 -2.24 -1.26 -4.21 114.28 104.90 2crw n THR 28 Ca 0.02 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2crw n THR 28 Cb 0.23 0.23 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 2crw n THR 28 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2crw n ASN 29 N -1.93 0.40 0.00 3.42 3.02 -0.92 -4.25 115.26 115.01 2crw n ASN 29 Ca 0.02 -0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.59 2crw n ASN 29 Cb 0.43 0.94 0.13 0.00 -0.61 0.00 0.00 39.78 40.67 2crw n ASN 29 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2crw n LYS 30 N -2.70 0.76 -3.92 3.52 2.85 -0.54 -4.59 118.16 113.54 2crw n LYS 30 Ca -0.31 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.71 2crw n LYS 30 Cb 1.11 -1.09 -0.17 0.00 -0.65 0.00 0.00 35.03 34.23 2crw n LYS 30 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2crw s VAL 31 N -2.00 0.71 -0.47 0.58 -7.23 -1.26 -0.29 120.40 110.44 2crw s VAL 31 Ca 0.07 -0.11 -0.40 0.00 -1.81 0.00 0.00 61.98 59.72 2crw s VAL 31 Cb 0.03 -0.78 -0.17 0.00 0.56 0.00 0.00 36.38 36.01 2crw s VAL 31 CO 0.05 0.31 1.97 0.00 -0.31 0.00 0.00 175.10 177.12 2crw h PHE 33 N 8.31 0.00 0.00 0.00 3.04 -1.74 1.01 116.94 127.56 2crw h PHE 33 Ca -0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.86 2crw h PHE 33 Cb 1.30 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.81 2crw h PHE 33 CO 0.90 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.72 2crw n ASP 34 N -3.64 0.00 -0.13 0.41 -0.08 -1.26 -4.70 116.55 107.15 2crw n ASP 34 Ca 0.14 0.65 -0.26 0.00 -1.51 0.00 0.00 54.79 53.80 2crw n ASP 34 Cb 0.93 -0.41 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 2crw n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crw n GLY 36 N 1.51 0.50 3.69 0.00 0.00 0.35 -4.92 105.19 106.31 2crw n GLY 36 Ca -0.49 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 44.98 2crw n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n ALA 37 N 0.00 0.15 -1.78 4.61 0.00 -1.26 -3.88 120.51 118.36 2crw n ALA 37 Ca 0.00 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2crw n ALA 37 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 2crw n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crw s LYS 38 N 3.90 4.30 -0.73 0.00 1.02 -1.26 -1.10 119.74 125.87 2crw s LYS 38 Ca 0.98 2.30 -0.01 0.00 0.02 0.00 0.00 55.97 59.26 2crw s LYS 38 Cb -0.97 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 2crw s LYS 38 CO 0.62 -0.28 0.61 0.09 -0.92 0.00 0.00 175.35 175.47 2crw n ASN 39 N 0.83 -2.74 -4.58 2.83 3.02 0.60 -4.88 115.26 110.34 2crw n ASN 39 Ca 0.01 -0.40 -0.28 0.00 -0.03 0.00 0.00 54.58 53.88 2crw n ASN 39 Cb 0.41 -3.40 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2crw s PRO 40 N -4.61 2.50 0.21 3.52 0.04 -1.22 -4.80 135.00 130.64 2crw s PRO 40 Ca 0.07 -1.05 -0.15 0.00 0.04 0.00 0.00 61.00 59.91 2crw s PRO 40 Cb -0.01 -5.22 0.22 0.00 0.04 0.00 0.00 34.50 29.53 2crw s PRO 40 CO 0.46 -3.91 1.61 0.66 0.04 0.00 0.00 177.00 175.86 2crw h SER 41 N 9.93 -0.73 -3.99 6.66 4.64 -1.90 -3.40 113.55 124.76 2crw h SER 41 Ca 0.20 0.20 -0.54 0.00 -0.47 0.00 0.00 61.79 61.18 2crw h SER 41 Cb 0.95 0.44 0.11 0.00 -0.31 0.00 0.00 62.40 63.59 2crw h SER 41 CO 1.22 -0.24 0.66 0.26 -0.87 0.00 0.00 176.83 177.86 2crw s TRP 42 N -6.18 2.54 -0.08 4.77 0.52 -1.16 -3.71 118.94 115.64 2crw s TRP 42 Ca -0.14 1.33 -0.07 0.00 0.02 0.00 0.00 56.10 57.23 2crw s TRP 42 Cb 0.19 -3.82 0.02 0.00 -1.15 0.00 0.00 33.47 28.71 2crw s TRP 42 CO 0.73 -2.66 0.22 0.00 0.02 0.00 0.00 176.95 175.25 2crw s ALA 43 N -1.24 -0.52 -0.42 0.98 0.00 -1.12 -0.98 121.76 118.46 2crw s ALA 43 Ca 0.62 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 2crw s ALA 43 Cb -0.41 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.38 2crw s ALA 43 CO 0.52 -0.12 0.27 0.45 0.00 0.00 0.00 175.76 176.89 2crw s SER 44 N 0.31 5.77 0.18 0.00 0.15 0.10 -1.58 113.70 118.63 2crw s SER 44 Ca -0.02 -1.32 -0.13 0.00 0.70 0.00 0.00 55.95 55.18 2crw s SER 44 Cb -0.03 -2.04 0.14 0.00 -1.71 0.00 0.00 66.02 62.38 2crw s SER 44 CO -0.01 -0.52 1.79 0.40 1.20 0.00 0.00 173.24 176.10 2crw h ILE 45 N 5.95 0.97 -0.71 6.45 2.04 -1.79 0.25 117.51 130.67 2crw h ILE 45 Ca -0.25 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2crw h ILE 45 Cb 1.09 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.48 2crw h ILE 45 CO 0.76 0.10 -0.43 0.74 0.00 0.00 0.00 178.15 179.31 2crw h THR 46 N 0.53 0.00 -0.49 -0.27 2.02 -1.94 0.37 112.91 113.13 2crw h THR 46 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 2crw h THR 46 Cb 0.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2crw h THR 46 CO -0.15 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.52 2crw n TYR 47 N -4.64 1.33 -4.19 3.16 4.02 -1.15 -4.57 117.16 111.12 2crw n TYR 47 Ca 0.01 -0.50 -0.38 0.00 -0.01 0.00 0.00 57.90 57.03 2crw n TYR 47 Cb 0.19 -0.27 -0.07 0.00 -0.02 0.00 0.00 39.34 39.17 2crw n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2crw n GLY 48 N 0.82 -0.35 3.73 2.72 0.00 0.13 -4.51 105.19 107.73 2crw n GLY 48 Ca 0.21 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 2crw n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crw s VAL 49 N -3.02 1.76 0.06 1.61 -7.23 -0.68 -2.36 120.40 110.55 2crw s VAL 49 Ca 0.72 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 2crw s VAL 49 Cb -0.42 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2crw s VAL 49 CO 0.91 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 175.35 2crw s PHE 50 N -2.75 3.05 0.26 2.82 0.08 -1.26 -0.72 117.98 119.45 2crw s PHE 50 Ca 0.27 0.02 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 2crw s PHE 50 Cb 0.04 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2crw s PHE 50 CO 0.15 0.48 0.26 -0.51 -0.10 0.00 0.00 175.22 175.50 2crw s LEU 51 N -2.07 1.14 0.16 -0.37 1.43 -0.15 -2.26 118.68 116.56 2crw s LEU 51 Ca 0.24 -1.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.01 2crw s LEU 51 Cb -0.12 0.78 -0.04 0.00 0.03 0.00 0.00 46.19 46.85 2crw s LEU 51 CO 0.16 -1.00 -0.11 0.00 0.23 0.00 0.00 176.35 175.63 2crw n ILE 53 N 0.25 -0.10 0.00 0.00 0.13 -1.26 -0.04 119.36 118.33 2crw n ILE 53 Ca -0.12 1.48 0.00 0.00 -1.10 0.00 0.00 62.75 63.01 2crw n ILE 53 Cb 0.55 -2.44 0.00 0.00 -0.84 0.00 0.00 39.64 36.91 2crw n ILE 53 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2crw n ASP 54 N -4.09 0.00 -0.01 9.51 8.00 -1.26 -3.46 116.55 125.24 2crw n ASP 54 Ca 0.39 0.53 -0.11 0.00 0.71 0.00 0.00 54.79 56.31 2crw n ASP 54 Cb 1.64 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 42.37 2crw n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crw n SER 56 N -5.41 -0.05 -0.24 0.00 3.41 0.94 0.18 113.62 112.44 2crw n SER 56 Ca -0.03 1.22 0.04 0.00 -0.26 0.00 0.00 58.87 59.84 2crw n SER 56 Cb 0.33 -0.46 0.16 0.00 -0.26 0.00 0.00 64.21 63.98 2crw n SER 56 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2crw h GLY 57 N 0.00 1.00 0.25 5.00 0.00 -1.32 -0.64 103.07 107.37 2crw h GLY 57 Ca 0.45 -0.09 0.14 0.00 0.00 0.00 0.00 47.33 47.83 2crw h GLY 57 CO -0.67 -0.12 0.39 1.76 0.00 0.00 0.00 176.54 177.90 2crw h SER 58 N 0.36 0.45 -0.21 0.19 0.02 0.18 -1.52 113.55 113.01 2crw h SER 58 Ca 0.38 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.40 2crw h SER 58 Cb 0.59 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2crw h SER 58 CO -0.42 0.20 0.04 0.45 -1.14 0.00 0.00 176.83 175.97 2crw h HIS 59 N 0.57 0.37 -1.01 3.45 3.86 -1.11 -2.85 115.15 118.42 2crw h HIS 59 Ca 0.43 -0.05 0.24 0.00 -1.16 0.00 0.00 60.37 59.83 2crw h HIS 59 Cb 0.59 -0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.85 2crw h HIS 59 CO -0.11 0.47 0.62 0.00 0.86 0.00 0.00 177.93 179.76 2crw h ARG 60 N 0.16 0.55 0.63 2.45 3.08 -0.60 -1.73 114.38 118.91 2crw h ARG 60 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2crw h ARG 60 Cb 0.29 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.23 2crw h ARG 60 CO 0.00 0.36 -0.30 1.03 -1.07 0.00 0.00 179.97 179.99 2crw h SER 61 N 0.56 -0.71 -0.85 7.04 0.87 -1.21 -3.14 113.55 116.10 2crw h SER 61 Ca 0.62 -0.02 0.17 0.00 -1.23 0.00 0.00 61.79 61.32 2crw h SER 61 Cb 1.24 0.18 -0.16 0.00 -0.44 0.00 0.00 62.40 63.23 2crw h SER 61 CO -0.41 -0.39 -0.22 0.18 -0.53 0.00 0.00 176.83 175.46 2crw n LEU 62 N -5.39 -0.33 0.00 2.23 4.77 -0.66 -4.82 117.00 112.80 2crw n LEU 62 Ca -0.12 1.47 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 2crw n LEU 62 Cb 0.36 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2crw n LEU 62 CO 0.33 -1.40 0.00 0.61 -1.33 0.00 0.00 177.39 175.60 2crw n GLY 63 N -1.52 3.99 0.48 -0.72 0.00 -1.12 -4.78 105.19 101.52 2crw n GLY 63 Ca 0.13 -0.69 0.24 0.00 0.00 0.00 0.00 46.02 45.70 2crw n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crw h VAL 64 N 0.00 0.07 -0.20 1.61 -1.51 -1.78 1.27 116.25 115.70 2crw h VAL 64 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.26 2crw h VAL 64 Cb 0.00 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.32 2crw h VAL 64 CO 0.00 0.00 -0.69 1.12 -1.23 0.00 0.00 177.57 176.77 2crw h HIS 65 N 0.00 1.09 0.03 5.19 -0.00 -1.96 -3.08 115.15 116.42 2crw h HIS 65 Ca 0.38 -0.45 -0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2crw h HIS 65 Cb 2.42 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 29.65 2crw h HIS 65 CO 0.00 1.28 -0.01 1.25 -0.00 0.00 0.00 177.93 180.45 2crw h LEU 66 N 0.59 -0.03 -6.51 6.12 5.85 0.13 -3.44 115.31 118.01 2crw h LEU 66 Ca -0.03 -0.56 -0.23 0.00 0.84 0.00 0.00 57.88 57.90 2crw h LEU 66 Cb 1.32 0.01 -0.32 0.00 0.37 0.00 0.00 40.66 42.04 2crw h LEU 66 CO 0.15 0.55 -0.56 -0.44 -0.34 0.00 0.00 178.44 177.80 2crw s SER 67 N -5.74 0.85 0.10 1.25 0.01 -0.84 -4.96 113.70 104.37 2crw s SER 67 Ca -0.16 -0.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 2crw s SER 67 Cb 0.01 0.82 -0.06 0.00 0.21 0.00 0.00 66.02 66.99 2crw s SER 67 CO 0.65 -0.34 1.08 0.12 0.41 0.00 0.00 173.24 175.16 2crw s PHE 68 N 2.46 3.61 0.06 2.43 5.36 -1.16 -4.46 117.98 126.27 2crw s PHE 68 Ca 0.10 1.58 0.04 0.00 -0.96 0.00 0.00 56.93 57.69 2crw s PHE 68 Cb -0.15 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.25 2crw s PHE 68 CO -0.22 -0.52 -0.03 0.42 -1.46 0.00 0.00 175.22 173.42 2crw s ILE 69 N 0.38 3.89 -0.29 3.12 -1.09 -1.26 -2.83 121.20 123.12 2crw s ILE 69 Ca 0.52 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 2crw s ILE 69 Cb -0.27 -2.80 0.12 0.00 -1.58 0.00 0.00 42.46 37.94 2crw s ILE 69 CO 0.31 0.22 0.87 -0.13 -1.23 0.00 0.00 174.94 174.98 2crw s ARG 70 N -1.97 0.51 1.27 2.79 0.52 -0.61 -4.98 118.95 116.47 2crw s ARG 70 Ca 0.22 0.87 -0.21 0.00 -0.52 0.00 0.00 55.73 56.09 2crw s ARG 70 Cb -0.11 0.11 0.31 0.00 0.52 0.00 0.00 34.95 35.78 2crw s ARG 70 CO 0.14 -0.10 1.08 -1.12 0.02 0.00 0.00 175.30 175.32 2crw s SER 71 N 1.39 0.33 -0.05 0.23 0.01 -1.26 -2.77 113.70 111.57 2crw s SER 71 Ca -0.09 0.59 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 2crw s SER 71 Cb -0.04 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 2crw s SER 71 CO -0.16 -4.48 -0.06 0.35 0.41 0.00 0.00 173.24 169.30 2crw n THR 72 N -5.00 0.29 -0.03 1.44 -2.24 -1.24 -4.30 114.28 103.20 2crw n THR 72 Ca 0.14 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 2crw n THR 72 Cb 0.60 -1.27 -0.11 0.00 -2.10 0.00 0.00 70.33 67.45 2crw n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2crw h GLU 73 N -0.13 0.10 0.20 -0.78 4.39 -1.96 -3.39 114.58 113.02 2crw h GLU 73 Ca -0.13 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 2crw h GLU 73 Cb 1.14 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2crw h GLU 73 CO -0.06 0.75 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.37 2crw h LEU 74 N -0.52 -0.23 -9.36 1.33 3.38 -1.98 -3.43 115.31 104.50 2crw h LEU 74 Ca -0.01 0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2crw h LEU 74 Cb 0.77 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2crw h LEU 74 CO 0.02 0.01 1.11 -1.81 0.09 0.00 0.00 178.44 177.87 2crw s ASP 75 N -3.93 6.57 0.00 -0.43 1.01 -1.26 -4.82 116.67 113.80 2crw s ASP 75 Ca -0.04 2.47 0.00 0.00 0.71 0.00 0.00 52.55 55.69 2crw s ASP 75 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2crw s ASP 75 CO 0.12 -0.96 0.00 -1.54 0.21 0.00 0.00 175.17 172.99 2crw n SER 76 N 6.78 2.16 -1.63 0.27 3.41 -1.26 -4.42 113.62 118.93 2crw n SER 76 Ca 0.18 -0.16 -0.05 0.00 -0.26 0.00 0.00 58.87 58.58 2crw n SER 76 Cb 0.41 0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 65.11 2crw n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2crw n ASN 77 N -0.97 5.58 -3.00 4.04 5.15 -1.26 -4.66 115.26 120.14 2crw n ASN 77 Ca 0.00 -2.56 -0.14 0.00 -0.60 0.00 0.00 54.58 51.28 2crw n ASN 77 Cb 0.00 -1.14 0.12 0.00 -0.53 0.00 0.00 39.78 38.23 2crw n ASN 77 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2crw n TRP 78 N 1.33 -3.47 -4.28 1.20 7.02 -1.26 -5.08 117.44 112.89 2crw n TRP 78 Ca 0.10 -0.48 -0.20 0.00 -1.02 0.00 0.00 57.50 55.89 2crw n TRP 78 Cb 0.54 -0.54 -0.13 0.00 -2.42 0.00 0.00 31.31 28.77 2crw n TRP 78 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2crw s SER 79 N -2.96 1.87 0.41 -0.99 0.15 -1.26 -4.71 113.70 106.21 2crw s SER 79 Ca 0.34 -0.57 0.17 0.00 0.70 0.00 0.00 55.95 56.59 2crw s SER 79 Cb -0.03 -0.09 1.06 0.00 -1.71 0.00 0.00 66.02 65.24 2crw s SER 79 CO 0.26 -0.00 1.85 -0.50 1.20 0.00 0.00 173.24 176.05 2crw h TRP 80 N 4.52 0.58 -0.09 3.44 -0.00 -1.95 0.40 115.95 122.85 2crw h TRP 80 Ca -0.41 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.44 2crw h TRP 80 Cb 1.18 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 30.17 2crw h TRP 80 CO 0.59 0.15 -0.18 0.35 -0.00 0.00 0.00 178.44 179.35 2crw h PHE 81 N 0.43 0.35 0.00 0.49 3.57 -1.96 -2.91 116.94 116.92 2crw h PHE 81 Ca 0.47 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 2crw h PHE 81 Cb 1.14 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2crw h PHE 81 CO -0.00 0.79 -0.31 1.96 -2.23 0.00 0.00 178.31 178.52 2crw h GLN 82 N -0.18 0.00 0.60 1.11 4.20 -1.59 -2.06 115.11 117.19 2crw h GLN 82 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2crw h GLN 82 Cb 0.77 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.55 2crw h GLN 82 CO 0.04 0.31 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.15 2crw h LEU 83 N 0.00 -0.68 -1.77 1.46 -0.00 -0.22 -3.15 115.31 110.95 2crw h LEU 83 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2crw h LEU 83 Cb 0.63 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2crw h LEU 83 CO 0.04 -0.40 0.15 0.03 -0.00 0.00 0.00 178.44 178.27 2crw h ARG 84 N -0.98 0.31 -1.14 1.13 2.47 -1.54 -1.89 114.38 112.73 2crw h ARG 84 Ca -0.08 -0.02 0.33 0.00 -1.26 0.00 0.00 59.98 58.95 2crw h ARG 84 Cb 0.62 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 2crw h ARG 84 CO 0.13 0.20 0.81 0.00 0.56 0.00 0.00 179.97 181.68 2crw h MET 86 N 0.03 0.44 0.61 0.00 2.86 -1.38 -3.17 114.93 114.32 2crw h MET 86 Ca 0.55 -0.46 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2crw h MET 86 Cb 2.14 0.13 0.01 0.00 0.06 0.00 0.00 31.60 33.93 2crw h MET 86 CO -0.03 1.11 -0.29 1.96 1.06 0.00 0.00 176.91 180.72 2crw h GLN 87 N -0.05 -0.79 -0.00 1.72 4.20 -0.67 -2.84 115.11 116.69 2crw h GLN 87 Ca -0.07 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2crw h GLN 87 Cb 1.32 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.28 2crw h GLN 87 CO 0.12 -0.49 0.58 -0.39 -0.67 0.00 0.00 178.83 177.99 2crw h VAL 88 N -1.14 0.00 0.00 -0.54 -1.51 -1.07 -3.37 116.25 108.61 2crw h VAL 88 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2crw h VAL 88 Cb 0.66 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 2crw h VAL 88 CO 0.14 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 2crw n GLY 89 N -1.32 0.50 0.00 5.19 0.00 -1.08 -4.97 105.19 103.50 2crw n GLY 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2crw n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crw n GLY 90 N 5.00 3.73 0.12 -0.02 0.00 -0.99 -4.70 105.19 108.32 2crw n GLY 90 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 2crw n GLY 90 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crw h ASN 91 N 0.00 -0.17 0.08 1.61 4.21 -1.81 -3.14 115.58 116.36 2crw h ASN 91 Ca 0.00 -0.06 0.01 0.00 1.21 0.00 0.00 56.30 57.47 2crw h ASN 91 Cb 0.00 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2crw h ASN 91 CO 0.00 -0.05 -0.16 0.00 -1.29 0.00 0.00 177.43 175.93 2crw h ALA 92 N 0.56 -0.25 -0.81 -0.83 0.00 -1.92 -1.01 119.26 114.99 2crw h ALA 92 Ca -0.02 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2crw h ALA 92 Cb 0.22 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 2crw h ALA 92 CO 0.03 -0.68 -0.37 0.43 0.00 0.00 0.00 179.25 178.67 2crw n SER 93 N -5.29 -0.63 -0.06 0.00 7.64 -1.19 0.11 113.62 114.20 2crw n SER 93 Ca -0.06 1.42 -0.13 0.00 1.01 0.00 0.00 58.87 61.11 2crw n SER 93 Cb 0.21 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crw h ALA 94 N 0.89 0.25 -1.00 -0.43 0.00 -1.48 -0.26 119.26 117.23 2crw h ALA 94 Ca 0.23 -0.31 0.38 0.00 0.00 0.00 0.00 54.91 55.21 2crw h ALA 94 Cb 0.44 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 2crw h ALA 94 CO -0.79 0.12 0.61 0.45 0.00 0.00 0.00 179.25 179.63 2crw n SER 95 N -4.55 0.23 -0.13 0.00 2.88 0.12 -1.24 113.62 110.93 2crw n SER 95 Ca -0.05 1.26 -0.29 0.00 -1.33 0.00 0.00 58.87 58.46 2crw n SER 95 Cb 0.35 -0.62 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 2crw n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crw n SER 96 N -4.61 1.95 -0.29 -3.46 7.64 -0.88 -4.38 113.62 109.58 2crw n SER 96 Ca 0.33 0.35 0.05 0.00 1.01 0.00 0.00 58.87 60.61 2crw n SER 96 Cb 1.20 -0.83 0.12 0.00 -1.01 0.00 0.00 64.21 63.69 2crw n SER 96 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2crw n PHE 97 N -4.27 0.30 0.11 1.43 -0.00 -0.12 -0.58 117.46 114.33 2crw n PHE 97 Ca -0.51 0.99 -0.09 0.00 -0.00 0.00 0.00 57.45 57.83 2crw n PHE 97 Cb 0.86 -0.98 -0.05 0.00 -0.00 0.00 0.00 39.48 39.31 2crw n PHE 97 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2crw h PHE 98 N 0.00 -0.78 -0.21 -5.13 -1.00 -1.43 -1.11 116.94 107.27 2crw h PHE 98 Ca 0.39 0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.24 2crw h PHE 98 Cb 0.61 0.32 -0.07 0.00 3.61 0.00 0.00 35.95 40.42 2crw h PHE 98 CO -0.62 -0.34 -0.33 1.25 -1.61 0.00 0.00 178.31 176.67 2crw h HIS 99 N -0.47 -0.91 -0.99 -0.55 2.76 -0.27 -0.30 115.15 114.42 2crw h HIS 99 Ca -0.02 0.04 0.30 0.00 -2.20 0.00 0.00 60.37 58.49 2crw h HIS 99 Cb 0.44 0.43 -0.14 0.00 1.55 0.00 0.00 27.41 29.69 2crw h HIS 99 CO -0.27 -0.40 0.55 1.96 -1.30 0.00 0.00 177.93 178.47 2crw h GLN 100 N -0.36 0.36 -1.40 5.26 4.20 -0.73 0.61 115.11 123.06 2crw h GLN 100 Ca 0.12 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.47 2crw h GLN 100 Cb 0.55 -0.08 -0.15 0.00 0.30 0.00 0.00 27.48 28.09 2crw h GLN 100 CO -0.41 0.24 0.43 0.72 -0.67 0.00 0.00 178.83 179.14 2crw n HIS 101 N -5.03 1.64 -3.76 2.96 8.25 -0.17 -4.87 115.22 114.23 2crw n HIS 101 Ca 0.30 -1.88 -0.28 0.00 -0.26 0.00 0.00 57.72 55.60 2crw n HIS 101 Cb 0.91 -0.92 0.01 0.00 1.12 0.00 0.00 29.99 31.11 2crw n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 102 N 0.15 -1.17 3.15 -1.41 0.00 0.21 -4.60 105.19 101.52 2crw n GLY 102 Ca 0.32 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.90 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n SER 104 N 5.41 3.60 -4.74 0.00 7.64 -1.26 -2.08 113.62 122.19 2crw n SER 104 Ca 0.00 -3.20 -0.40 0.00 1.01 0.00 0.00 58.87 56.27 2crw n SER 104 Cb 0.53 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2crw s THR 105 N -4.44 4.60 -0.05 0.44 2.01 -1.26 -4.96 115.64 111.97 2crw s THR 105 Ca 0.41 1.86 0.01 0.00 0.31 0.00 0.00 61.69 64.29 2crw s THR 105 Cb 0.40 -4.23 -0.25 0.00 0.01 0.00 0.00 72.50 68.43 2crw s THR 105 CO -0.04 0.34 0.63 0.78 -0.69 0.00 0.00 174.62 175.65 2crw h ASN 106 N 5.59 0.26 -1.75 3.53 2.35 -1.98 -3.43 115.58 120.15 2crw h ASN 106 Ca -0.43 -0.49 -0.29 0.00 -0.55 0.00 0.00 56.30 54.54 2crw h ASN 106 Cb 1.21 -0.08 0.16 0.00 0.05 0.00 0.00 38.32 39.65 2crw h ASN 106 CO 0.71 1.43 -0.82 0.47 -1.65 0.00 0.00 177.43 177.57 2crw n ASP 107 N -3.32 -2.74 -0.04 5.81 9.92 -1.26 -4.88 116.55 120.04 2crw n ASP 107 Ca -0.22 -0.22 -0.07 0.00 -0.53 0.00 0.00 54.79 53.76 2crw n ASP 107 Cb 1.05 -0.73 -0.04 0.00 -0.64 0.00 0.00 41.12 40.76 2crw n ASP 107 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2crw n THR 108 N -4.08 0.49 1.59 -3.53 -1.04 -1.26 -3.64 114.28 102.81 2crw n THR 108 Ca 0.03 -0.17 0.14 0.00 -2.04 0.00 0.00 64.05 62.00 2crw n THR 108 Cb 0.43 -0.96 0.79 0.00 -1.82 0.00 0.00 70.33 68.78 2crw n THR 108 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2crw n ASN 109 N -2.87 0.00 -0.00 8.00 2.85 -1.26 -2.97 115.26 119.01 2crw n ASN 109 Ca -0.16 -0.55 -0.01 0.00 -0.11 0.00 0.00 54.58 53.76 2crw n ASN 109 Cb 0.65 -0.13 -0.00 0.00 1.24 0.00 0.00 39.78 41.54 2crw n ASN 109 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2crw n ALA 110 N -1.13 2.96 -0.28 5.20 0.00 -1.26 -4.21 120.51 121.79 2crw n ALA 110 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.63 2crw n ALA 110 Cb 0.16 0.48 0.16 0.00 0.00 0.00 0.00 19.45 20.25 2crw n ALA 110 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crw h LYS 111 N -0.02 0.70 0.00 0.00 3.64 -1.69 -1.03 116.57 118.18 2crw h LYS 111 Ca -0.01 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2crw h LYS 111 Cb 0.96 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2crw h LYS 111 CO -0.01 0.47 -0.74 1.88 -2.27 0.00 0.00 179.45 178.78 2crw h TYR 112 N 0.72 0.00 -0.21 1.91 0.05 -1.78 -3.22 116.97 114.45 2crw h TYR 112 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.17 2crw h TYR 112 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2crw h TYR 112 CO -0.08 0.55 0.00 0.09 -1.05 0.00 0.00 178.16 177.67 2crw n ASN 113 N -3.16 2.40 -4.40 3.88 3.02 -0.48 -4.44 115.26 112.08 2crw n ASN 113 Ca -0.01 -2.26 -0.17 0.00 -0.03 0.00 0.00 54.58 52.11 2crw n ASN 113 Cb 0.77 -0.49 0.07 0.00 -0.61 0.00 0.00 39.78 39.52 2crw n ASN 113 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2crw n SER 114 N 0.22 1.60 0.05 6.41 3.41 -0.67 -4.95 113.62 119.70 2crw n SER 114 Ca 0.09 -2.21 -0.20 0.00 -0.26 0.00 0.00 58.87 56.30 2crw n SER 114 Cb 0.51 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 2crw n SER 114 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2crw h ARG 115 N 0.00 0.32 -1.00 4.33 9.65 -1.89 -3.15 114.38 122.65 2crw h ARG 115 Ca -0.24 -0.53 0.09 0.00 -1.10 0.00 0.00 59.98 58.20 2crw h ARG 115 Cb 1.05 0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 29.75 2crw h ARG 115 CO 0.32 1.25 0.64 0.00 2.80 0.00 0.00 179.97 184.97 2crw h ALA 116 N 0.11 1.48 0.06 2.80 0.00 -1.91 -2.31 119.26 119.48 2crw h ALA 116 Ca -0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2crw h ALA 116 Cb 1.65 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2crw h ALA 116 CO 0.16 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 2crw h ALA 117 N 1.50 -0.08 -0.20 0.00 0.00 -1.77 -3.05 119.26 115.67 2crw h ALA 117 Ca 0.46 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.31 2crw h ALA 117 Cb 0.34 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2crw h ALA 117 CO -0.22 -0.43 -0.37 1.96 0.00 0.00 0.00 179.25 180.19 2crw h GLN 118 N -0.30 -0.39 -1.12 0.00 1.08 -1.39 0.71 115.11 113.70 2crw h GLN 118 Ca -0.01 0.03 0.31 0.00 -1.45 0.00 0.00 58.65 57.53 2crw h GLN 118 Cb 0.26 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.69 2crw h GLN 118 CO 0.01 -0.26 0.74 -0.07 -0.95 0.00 0.00 178.83 178.30 2crw h LEU 119 N -0.40 0.32 -0.23 1.46 3.38 -1.44 0.19 115.31 118.58 2crw h LEU 119 Ca 0.10 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2crw h LEU 119 Cb 0.58 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2crw h LEU 119 CO -0.42 0.02 0.12 0.22 0.09 0.00 0.00 178.44 178.47 2crw h TYR 120 N 0.26 0.33 0.76 1.13 5.03 -0.75 -0.95 116.97 122.79 2crw h TYR 120 Ca 0.63 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.89 2crw h TYR 120 Cb 1.85 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 40.02 2crw h TYR 120 CO -0.00 0.31 -0.43 0.00 -1.32 0.00 0.00 178.16 176.72 2crw h ARG 121 N 0.26 -1.06 -0.93 1.82 3.08 -0.37 -1.37 114.38 115.81 2crw h ARG 121 Ca 0.08 0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.36 2crw h ARG 121 Cb 0.09 0.24 -0.10 0.00 0.08 0.00 0.00 29.97 30.29 2crw h ARG 121 CO -0.01 -0.71 0.53 1.05 -1.07 0.00 0.00 179.97 179.76 2crw h GLU 122 N -1.10 0.72 -0.47 0.04 4.11 -1.44 -0.78 114.58 115.66 2crw h GLU 122 Ca -0.10 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.30 2crw h GLU 122 Cb 0.87 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2crw h GLU 122 CO 0.13 0.47 0.31 -0.22 0.07 0.00 0.00 179.01 179.77 2crw h LYS 123 N 0.74 0.60 -0.44 1.06 3.64 -0.87 -2.04 116.57 119.26 2crw h LYS 123 Ca 0.51 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.88 2crw h LYS 123 Cb 0.71 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2crw h LYS 123 CO -0.35 0.40 0.30 0.82 -2.27 0.00 0.00 179.45 178.34 2crw h ILE 124 N 0.62 1.05 -0.74 2.00 1.08 -0.01 -1.70 117.51 119.80 2crw h ILE 124 Ca 0.18 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2crw h ILE 124 Cb -0.05 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 2crw h ILE 124 CO -0.05 0.09 0.29 0.50 -0.69 0.00 0.00 178.15 178.29 2crw h LYS 125 N 0.50 1.12 0.26 2.37 3.64 -0.83 0.28 116.57 123.91 2crw h LYS 125 Ca 0.18 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2crw h LYS 125 Cb 0.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2crw h LYS 125 CO -0.04 0.92 -0.12 0.77 -2.27 0.00 0.00 179.45 178.70 2crw h SER 126 N 1.08 -0.29 0.33 4.20 0.02 -1.09 -2.95 113.55 114.84 2crw h SER 126 Ca 0.25 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2crw h SER 126 Cb 0.23 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2crw h SER 126 CO -0.02 0.10 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.55 2crw h LEU 127 N -0.74 -0.38 -1.10 5.07 3.38 -1.37 -2.65 115.31 117.52 2crw h LEU 127 Ca -0.04 -0.03 0.36 0.00 0.09 0.00 0.00 57.88 58.27 2crw h LEU 127 Cb 0.50 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 2crw h LEU 127 CO 0.06 -0.22 0.63 0.00 0.09 0.00 0.00 178.44 179.00 2crw h ALA 128 N 0.15 2.18 -0.22 1.53 0.00 -0.53 1.29 119.26 123.66 2crw h ALA 128 Ca -0.05 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2crw h ALA 128 Cb 0.38 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2crw h ALA 128 CO 0.07 -0.82 -0.24 0.77 0.00 0.00 0.00 179.25 179.03 2crw h SER 129 N 0.21 0.40 0.51 0.00 0.02 -1.29 -1.73 113.55 111.67 2crw h SER 129 Ca 0.77 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.58 2crw h SER 129 Cb 1.97 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.39 2crw h SER 129 CO -0.59 0.64 -0.38 1.56 -1.14 0.00 0.00 176.83 176.93 2crw h GLN 130 N 0.36 -0.84 -0.68 3.45 4.20 0.18 0.22 115.11 122.00 2crw h GLN 130 Ca 0.06 0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2crw h GLN 130 Cb 0.62 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 2crw h GLN 130 CO 0.04 -0.56 0.18 0.00 -0.67 0.00 0.00 178.83 177.83 2crw h ALA 131 N -0.52 0.90 0.12 3.87 0.00 -1.50 0.54 119.26 122.68 2crw h ALA 131 Ca -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2crw h ALA 131 Cb 0.73 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2crw h ALA 131 CO 0.02 0.60 -0.08 1.15 0.00 0.00 0.00 179.25 180.94 2crw h THR 132 N 1.02 0.82 -0.04 0.00 2.02 -1.11 -2.93 112.91 112.69 2crw h THR 132 Ca 0.22 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.21 2crw h THR 132 Cb 0.34 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2crw h THR 132 CO -0.00 0.00 -0.77 -0.09 0.37 0.00 0.00 175.52 175.03 2crw h ARG 133 N -0.20 0.28 -0.40 6.66 2.43 -0.48 -2.65 114.38 120.01 2crw h ARG 133 Ca -0.01 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 2crw h ARG 133 Cb 0.18 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2crw h ARG 133 CO 0.00 0.92 -0.24 1.17 -1.51 0.00 0.00 179.97 180.32 2crw n LYS 134 N -3.77 -0.18 -2.36 0.20 3.00 0.19 -1.89 118.16 113.35 2crw n LYS 134 Ca -0.04 0.83 -0.18 0.00 -0.00 0.00 0.00 58.31 58.92 2crw n LYS 134 Cb 0.73 -1.22 0.02 0.00 0.00 0.00 0.00 35.03 34.56 2crw n LYS 134 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2crw n HIS 135 N -4.01 2.39 0.00 5.64 -0.00 -1.24 -5.06 115.22 112.93 2crw n HIS 135 Ca 0.01 -2.43 0.00 0.00 0.46 0.00 0.00 57.72 55.76 2crw n HIS 135 Cb 0.10 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 29.71 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2crw n GLY 136 N -0.58 0.51 2.57 1.57 0.00 -0.79 -0.76 105.19 107.70 2crw n GLY 136 Ca 0.31 0.59 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 2crw n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crw n THR 137 N 0.00 3.06 -3.64 2.61 -2.24 -1.26 -4.72 114.28 108.09 2crw n THR 137 Ca 0.00 -5.41 -0.10 0.00 -2.27 0.00 0.00 64.05 56.27 2crw n THR 137 Cb 0.00 -2.03 -0.07 0.00 -2.10 0.00 0.00 70.33 66.13 2crw n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2crw s ASP 138 N -2.41 -0.77 -0.63 3.42 -1.08 0.06 -5.08 116.67 110.18 2crw s ASP 138 Ca 0.39 1.37 -0.26 0.00 -0.52 0.00 0.00 52.55 53.53 2crw s ASP 138 Cb 0.14 1.36 -0.10 0.00 -1.46 0.00 0.00 42.92 42.86 2crw s ASP 138 CO 0.00 -0.23 2.42 0.18 0.52 0.00 0.00 175.17 178.07 2crw n LEU 139 N 3.31 2.05 -0.02 -1.34 7.99 -1.26 -4.66 117.00 123.07 2crw n LEU 139 Ca -0.16 -0.92 0.21 0.00 -0.01 0.00 0.00 56.01 55.13 2crw n LEU 139 Cb 0.57 -1.61 0.49 0.00 -0.11 0.00 0.00 43.42 42.76 2crw n LEU 139 CO 0.01 -2.02 1.19 4.11 -1.51 0.00 0.00 177.39 179.18 2crw h TRP 140 N 16.63 0.00 -2.55 -1.77 0.09 -1.93 -3.42 115.95 123.00 2crw h TRP 140 Ca -0.14 0.00 -0.58 0.00 0.09 0.00 0.00 58.89 58.26 2crw h TRP 140 Cb 1.16 0.00 0.19 0.00 0.08 0.00 0.00 29.16 30.58 2crw h TRP 140 CO 1.05 0.00 -0.85 1.28 0.09 0.00 0.00 178.44 180.01 2crw n LEU 141 N -3.23 -1.67 -4.53 0.11 7.99 -1.26 -4.70 117.00 109.71 2crw n LEU 141 Ca 0.14 0.61 -0.58 0.00 -0.01 0.00 0.00 56.01 56.16 2crw n LEU 141 Cb 1.13 -1.01 -0.08 0.00 -0.11 0.00 0.00 43.42 43.35 2crw n LEU 141 CO 0.20 -4.07 0.65 0.47 -1.51 0.00 0.00 177.39 173.14 2crw n ASP 142 N 1.39 0.33 -4.28 -1.43 8.00 -1.26 -4.87 116.55 114.42 2crw n ASP 142 Ca 0.08 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.30 2crw n ASP 142 Cb 0.49 -0.97 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 2crw n ASP 142 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2crw s SER 143 N 0.22 6.79 -0.18 -2.24 0.15 -1.26 -5.02 113.70 112.15 2crw s SER 143 Ca 0.90 -3.31 -0.04 0.00 0.70 0.00 0.00 55.95 54.21 2crw s SER 143 Cb -1.22 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 60.93 2crw s SER 143 CO 0.56 -0.36 -0.04 -0.94 1.20 0.00 0.00 173.24 173.67 2crw s SER 144 N 1.27 4.63 -1.03 5.45 1.04 -1.26 -4.72 113.70 119.08 2crw s SER 144 Ca 0.25 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.30 2crw s SER 144 Cb -0.10 -1.77 0.01 0.00 0.10 0.00 0.00 66.02 64.26 2crw s SER 144 CO -0.09 0.11 0.69 0.61 0.98 0.00 0.00 173.24 175.54 2crw n GLY 145 N 3.95 -1.07 3.77 7.32 0.00 -1.26 -4.90 105.19 113.00 2crw n GLY 145 Ca -0.18 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 2crw n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crw s PRO 146 N -5.86 3.42 0.05 1.61 0.04 -1.26 -5.06 135.00 127.93 2crw s PRO 146 Ca 0.29 1.63 0.05 0.00 0.04 0.00 0.00 61.00 63.01 2crw s PRO 146 Cb -0.13 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2crw s PRO 146 CO 0.90 -0.80 -0.14 0.45 0.04 0.00 0.00 177.00 177.45 2crw s SER 147 N -1.71 1.59 -0.28 6.66 0.15 -1.26 -5.09 113.70 113.76 2crw s SER 147 Ca 0.71 -0.53 -0.39 0.00 0.70 0.00 0.00 55.95 56.45 2crw s SER 147 Cb -0.24 -0.07 -0.15 0.00 -1.71 0.00 0.00 66.02 63.85 2crw s SER 147 CO 0.28 -0.03 1.84 -0.24 1.20 0.00 0.00 173.24 176.29 2crw n SER 148 N 1.62 2.44 -0.19 5.45 2.88 -1.26 -5.26 113.62 119.30 2crw n SER 148 Ca -0.20 0.95 0.15 0.00 -1.33 0.00 0.00 58.87 58.45 2crw n SER 148 Cb 0.54 -1.18 0.78 0.00 -0.75 0.00 0.00 64.21 63.61 2crw n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42