#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw n SER 2 N 0.00 -1.67 -4.68 1.61 3.41 -1.26 -4.70 113.62 106.33 2crw n SER 2 Ca 0.00 1.01 -0.48 0.00 -0.26 0.00 0.00 58.87 59.14 2crw n SER 2 Cb 0.00 -0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 63.00 2crw n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2crw n SER 3 N 2.04 3.52 -4.63 4.04 3.41 -1.26 -4.85 113.62 115.90 2crw n SER 3 Ca 0.16 0.96 -0.49 0.00 -0.26 0.00 0.00 58.87 59.23 2crw n SER 3 Cb 0.29 -1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 62.80 2crw n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crw n GLY 4 N 4.45 0.76 3.91 5.00 0.00 -1.26 -4.98 105.19 113.06 2crw n GLY 4 Ca 0.23 0.68 -0.25 0.00 0.00 0.00 0.00 46.02 46.68 2crw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crw s SER 5 N 0.71 4.70 0.18 1.61 1.04 -1.26 -5.03 113.70 115.65 2crw s SER 5 Ca 0.82 -1.16 -0.23 0.00 0.48 0.00 0.00 55.95 55.86 2crw s SER 5 Cb -0.84 0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.65 2crw s SER 5 CO 0.43 -1.07 1.58 0.28 0.98 0.00 0.00 173.24 175.44 2crw h SER 6 N 0.75 -1.29 -5.02 7.02 0.02 -2.05 -3.43 113.55 109.55 2crw h SER 6 Ca -0.37 0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 2crw h SER 6 Cb 1.30 0.61 -0.20 0.00 0.14 0.00 0.00 62.40 64.25 2crw h SER 6 CO 0.56 -0.32 -0.56 -0.83 -1.14 0.00 0.00 176.83 174.54 2crw s GLY 7 N -2.97 0.15 0.22 -3.77 0.00 -1.26 -5.17 107.32 94.53 2crw s GLY 7 Ca -0.14 -0.42 0.11 0.00 0.00 0.00 0.00 44.72 44.26 2crw s GLY 7 CO 0.68 -0.54 -0.16 -3.16 0.00 0.00 0.00 173.10 169.91 2crw s MET 8 N -1.89 1.79 0.56 2.90 0.00 -1.26 -5.11 119.30 116.30 2crw s MET 8 Ca -0.11 -1.52 -0.20 0.00 0.00 0.00 0.00 55.69 53.85 2crw s MET 8 Cb -0.06 -1.94 -0.06 0.00 0.00 0.00 0.00 34.83 32.78 2crw s MET 8 CO -0.01 0.38 1.07 0.41 0.00 0.00 0.00 175.02 176.87 2crw n GLY 9 N -0.19 -0.03 3.87 3.16 0.00 -1.26 -4.98 105.19 105.75 2crw n GLY 9 Ca -0.09 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2crw n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2crw s ASP 10 N -1.10 6.56 0.24 1.61 1.01 -1.26 -4.98 116.67 118.75 2crw s ASP 10 Ca 0.73 1.13 -0.30 0.00 0.71 0.00 0.00 52.55 54.82 2crw s ASP 10 Cb -0.44 -2.32 -0.09 0.00 1.01 0.00 0.00 42.92 41.08 2crw s ASP 10 CO 0.49 -0.35 1.27 -2.16 0.21 0.00 0.00 175.17 174.63 2crw s PRO 11 N -3.66 4.42 0.67 8.23 0.04 -1.26 -5.03 135.00 138.41 2crw s PRO 11 Ca 0.51 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 2crw s PRO 11 Cb -0.10 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2crw s PRO 11 CO 0.29 -0.16 1.07 -1.12 0.04 0.00 0.00 177.00 177.11 2crw s SER 12 N -0.06 5.72 0.13 6.66 0.01 -1.26 -4.76 113.70 120.15 2crw s SER 12 Ca 0.53 1.29 -0.32 0.00 1.31 0.00 0.00 55.95 58.76 2crw s SER 12 Cb -0.37 -2.20 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 2crw s SER 12 CO 0.42 -1.18 1.53 0.50 0.41 0.00 0.00 173.24 174.92 2crw h LYS 13 N -0.54 -0.33 -0.85 12.44 3.64 -1.96 -0.90 116.57 128.07 2crw h LYS 13 Ca -0.45 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.07 2crw h LYS 13 Cb 1.22 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.99 2crw h LYS 13 CO 0.62 -0.22 -0.47 1.96 -2.27 0.00 0.00 179.45 179.07 2crw h GLN 14 N -0.34 -0.08 -0.48 1.90 1.08 -1.99 0.25 115.11 115.45 2crw h GLN 14 Ca 0.08 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.38 2crw h GLN 14 Cb 0.56 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.93 2crw h GLN 14 CO -0.62 -0.05 -0.00 -0.44 -0.95 0.00 0.00 178.83 176.77 2crw h ASP 15 N -0.08 -0.20 -0.51 1.46 3.32 -1.65 0.36 116.42 119.12 2crw h ASP 15 Ca 0.23 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2crw h ASP 15 Cb 0.53 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2crw h ASP 15 CO -0.87 -0.07 0.34 0.40 -1.72 0.00 0.00 179.24 177.32 2crw h ILE 16 N 0.11 1.04 -0.24 0.35 2.04 0.67 -1.15 117.51 120.33 2crw h ILE 16 Ca 0.24 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 2crw h ILE 16 Cb 0.36 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2crw h ILE 16 CO -0.40 0.10 -0.28 -0.07 0.00 0.00 0.00 178.15 177.50 2crw h LEU 17 N 0.55 0.48 -0.51 1.44 3.38 0.13 -2.57 115.31 118.20 2crw h LEU 17 Ca 0.21 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2crw h LEU 17 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2crw h LEU 17 CO -0.05 0.74 -0.44 0.74 0.09 0.00 0.00 178.44 179.52 2crw h THR 18 N 0.41 1.29 -0.06 0.22 2.02 -0.37 0.18 112.91 116.61 2crw h THR 18 Ca 0.06 -1.63 -0.09 0.00 0.77 0.00 0.00 66.41 65.52 2crw h THR 18 Cb 0.70 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2crw h THR 18 CO 0.05 0.53 -0.36 0.40 0.37 0.00 0.00 175.52 176.51 2crw h ILE 19 N 0.58 1.27 0.04 3.11 2.04 -1.24 -2.84 117.51 120.47 2crw h ILE 19 Ca 0.04 -1.32 -0.17 0.00 1.00 0.00 0.00 64.86 64.41 2crw h ILE 19 Cb 1.00 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2crw h ILE 19 CO 0.09 0.39 -0.89 -0.26 0.00 0.00 0.00 178.15 177.48 2crw h PHE 20 N 0.10 0.15 -1.05 1.37 0.04 -1.32 -3.33 116.94 112.90 2crw h PHE 20 Ca 0.01 -0.11 0.27 0.00 2.80 0.00 0.00 57.97 60.94 2crw h PHE 20 Cb 0.68 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.73 2crw h PHE 20 CO 0.01 1.35 0.67 1.57 -0.60 0.00 0.00 178.31 181.30 2crw h LYS 21 N -0.77 0.39 -0.58 1.51 2.10 -0.65 0.53 116.57 119.10 2crw h LYS 21 Ca -0.22 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.34 2crw h LYS 21 Cb 1.35 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 2crw h LYS 21 CO -0.05 0.26 0.08 0.00 -2.00 0.00 0.00 179.45 177.74 2crw h ARG 22 N 0.40 0.93 0.00 0.07 3.08 -1.63 -2.63 114.38 114.60 2crw h ARG 22 Ca 0.62 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2crw h ARG 22 Cb 1.52 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 2crw h ARG 22 CO -0.33 0.87 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.29 2crw h LEU 23 N 0.88 0.00 -0.96 3.04 3.38 -0.31 -3.36 115.31 117.98 2crw h LEU 23 Ca 0.18 -0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.26 2crw h LEU 23 Cb 0.40 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.97 2crw h LEU 23 CO 0.01 0.61 -0.00 0.54 0.09 0.00 0.00 178.44 179.69 2crw n ARG 24 N -4.73 -0.08 -0.32 1.13 1.74 0.14 -0.13 116.66 114.41 2crw n ARG 24 Ca -0.03 1.45 0.03 0.00 -0.77 0.00 0.00 57.85 58.53 2crw n ARG 24 Cb 0.11 -2.29 0.09 0.00 -1.02 0.00 0.00 32.46 29.35 2crw n ARG 24 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2crw n SER 25 N -5.45 -0.40 -4.63 0.55 2.88 -0.99 -3.19 113.62 102.38 2crw n SER 25 Ca 0.22 1.48 -0.46 0.00 -1.33 0.00 0.00 58.87 58.78 2crw n SER 25 Cb 0.72 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 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 -5.35 0.92 0.97 2.46 0.31 0.81 -4.81 118.33 113.64 2crw n VAL 26 Ca 0.12 -0.23 0.03 0.00 -0.01 0.00 0.00 64.34 64.25 2crw n VAL 26 Cb 0.40 -1.22 0.19 0.00 -0.91 0.00 0.00 33.84 32.29 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 1.93 0.48 -0.00 5.55 -0.04 -1.26 -1.91 135.00 139.74 2crw n PRO 27 Ca 0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2crw n PRO 27 Cb 0.29 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.70 0.00 -0.08 0.52 -2.24 -1.26 -4.64 114.28 105.88 2crw n THR 28 Ca 0.05 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 2crw n THR 28 Cb 0.02 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.44 0.02 0.00 3.42 3.02 -0.81 -4.18 115.26 115.29 2crw n ASN 29 Ca -0.00 0.01 0.05 0.00 -0.03 0.00 0.00 54.58 54.61 2crw n ASN 29 Cb 0.11 1.16 0.29 0.00 -0.61 0.00 0.00 39.78 40.73 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 -2.67 0.78 -4.06 3.52 2.85 -0.93 -4.63 118.16 113.02 2crw n LYS 30 Ca -0.27 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.78 2crw n LYS 30 Cb 1.05 -1.20 -0.17 0.00 -0.65 0.00 0.00 35.03 34.07 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 0.49 -0.43 0.58 -7.23 -1.26 -0.57 120.40 109.98 2crw s VAL 31 Ca 0.15 -0.06 -0.42 0.00 -1.81 0.00 0.00 61.98 59.83 2crw s VAL 31 Cb 0.07 -0.54 -0.17 0.00 0.56 0.00 0.00 36.38 36.29 2crw s VAL 31 CO 0.11 0.23 1.94 0.00 -0.31 0.00 0.00 175.10 177.07 2crw h PHE 33 N 8.28 0.04 0.00 0.00 3.04 -1.33 1.34 116.94 128.31 2crw h PHE 33 Ca -0.28 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.67 2crw h PHE 33 Cb 1.37 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.87 2crw h PHE 33 CO 0.85 0.01 0.00 -3.47 -2.02 0.00 0.00 178.31 173.68 2crw n ASP 34 N -4.29 0.00 -0.13 0.41 -0.08 -1.26 -4.65 116.55 106.55 2crw n ASP 34 Ca 0.19 0.76 -0.27 0.00 -1.51 0.00 0.00 54.79 53.96 2crw n ASP 34 Cb 0.94 -0.43 -0.11 0.00 2.34 0.00 0.00 41.12 43.86 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 1.46 0.68 3.69 0.00 0.00 0.46 -4.92 105.19 106.56 2crw n GLY 36 Ca -0.49 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.77 4.61 0.00 -1.26 -3.79 120.51 118.15 2crw n ALA 37 Ca 0.00 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 2crw n ALA 37 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 3.08 3.80 -1.02 0.00 1.02 -1.26 -0.95 119.74 124.40 2crw s LYS 38 Ca 0.95 2.09 -0.02 0.00 0.02 0.00 0.00 55.97 59.01 2crw s LYS 38 Cb -1.00 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2crw s LYS 38 CO 0.61 -0.61 0.87 0.09 -0.92 0.00 0.00 175.35 175.39 2crw n ASN 39 N -0.17 -3.48 -4.58 2.83 3.02 0.27 -4.86 115.26 108.29 2crw n ASN 39 Ca 0.05 -0.58 -0.28 0.00 -0.03 0.00 0.00 54.58 53.74 2crw n ASN 39 Cb 0.45 -4.66 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 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 -4.87 2.50 0.29 3.52 0.04 -1.23 -4.79 135.00 130.46 2crw s PRO 40 Ca 0.14 -0.98 0.03 0.00 0.04 0.00 0.00 61.00 60.24 2crw s PRO 40 Cb -0.02 -5.20 0.73 0.00 0.04 0.00 0.00 34.50 30.04 2crw s PRO 40 CO 0.65 -3.87 1.69 0.66 0.04 0.00 0.00 177.00 176.17 2crw h SER 41 N 10.06 0.27 -3.88 6.66 4.64 -1.89 -3.41 113.55 125.99 2crw h SER 41 Ca 0.19 0.16 -0.50 0.00 -0.47 0.00 0.00 61.79 61.17 2crw h SER 41 Cb 0.95 0.16 0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2crw h SER 41 CO 1.22 -0.04 0.48 0.26 -0.87 0.00 0.00 176.83 177.89 2crw s TRP 42 N -5.89 3.34 -0.15 4.77 0.52 -1.14 -3.31 118.94 117.07 2crw s TRP 42 Ca -0.12 1.63 -0.07 0.00 0.02 0.00 0.00 56.10 57.56 2crw s TRP 42 Cb 0.25 -3.31 0.06 0.00 -1.15 0.00 0.00 33.47 29.33 2crw s TRP 42 CO 0.78 -0.87 0.34 0.00 0.02 0.00 0.00 176.95 177.21 2crw s ALA 43 N -1.33 -0.84 -0.37 0.98 0.00 -1.12 -0.09 121.76 119.00 2crw s ALA 43 Ca 0.51 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.51 2crw s ALA 43 Cb -0.30 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2crw s ALA 43 CO 0.39 -0.45 0.71 0.45 0.00 0.00 0.00 175.76 176.86 2crw s SER 44 N 1.88 6.48 0.12 0.00 0.15 0.13 -1.94 113.70 120.51 2crw s SER 44 Ca -0.05 0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.65 2crw s SER 44 Cb -0.11 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 2crw s SER 44 CO -0.11 -0.68 1.56 0.40 1.20 0.00 0.00 173.24 175.61 2crw h ILE 45 N 5.74 1.26 -0.85 6.45 2.04 -1.73 0.33 117.51 130.75 2crw h ILE 45 Ca -0.25 -1.04 0.13 0.00 1.00 0.00 0.00 64.86 64.70 2crw h ILE 45 Cb 1.10 1.16 -0.14 0.00 -0.74 0.00 0.00 36.82 38.20 2crw h ILE 45 CO 0.88 0.35 -0.40 0.74 0.00 0.00 0.00 178.15 179.72 2crw h THR 46 N 0.52 0.05 -0.57 -0.27 2.02 -1.93 0.29 112.91 113.02 2crw h THR 46 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2crw h THR 46 Cb 0.50 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2crw h THR 46 CO 0.02 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 2crw n TYR 47 N -5.44 0.75 -4.13 3.16 4.02 -1.21 -4.47 117.16 109.85 2crw n TYR 47 Ca 0.07 -0.38 -0.31 0.00 -0.01 0.00 0.00 57.90 57.27 2crw n TYR 47 Cb 0.37 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.66 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 1.59 -0.30 3.45 2.72 0.00 0.10 -4.48 105.19 108.27 2crw n GLY 48 Ca 0.22 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.73 1.73 -0.18 1.61 -7.23 -0.14 -1.44 120.40 111.03 2crw s VAL 49 Ca 0.32 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 2crw s VAL 49 Cb -0.18 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2crw s VAL 49 CO 0.92 -0.28 0.10 -0.36 -0.31 0.00 0.00 175.10 175.18 2crw s PHE 50 N -2.95 3.37 0.42 2.82 0.08 -1.26 0.17 117.98 120.63 2crw s PHE 50 Ca 0.30 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.65 2crw s PHE 50 Cb 0.04 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 2crw s PHE 50 CO 0.13 0.32 0.06 -0.51 -0.10 0.00 0.00 175.22 175.12 2crw s LEU 51 N 0.09 2.22 0.15 -0.37 1.43 0.88 -0.96 118.68 122.11 2crw s LEU 51 Ca 0.08 -1.58 0.11 0.00 -1.03 0.00 0.00 54.13 51.70 2crw s LEU 51 Cb -0.12 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2crw s LEU 51 CO -0.00 -0.79 -0.25 0.00 0.23 0.00 0.00 176.35 175.54 2crw n ILE 53 N 0.71 -0.30 0.00 0.00 0.13 -1.26 0.35 119.36 118.99 2crw n ILE 53 Ca -0.16 1.47 0.00 0.00 -1.10 0.00 0.00 62.75 62.96 2crw n ILE 53 Cb 0.54 -2.33 0.00 0.00 -0.84 0.00 0.00 39.64 37.00 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 -4.68 0.00 0.04 9.51 9.92 -1.26 -3.21 116.55 126.87 2crw n ASP 54 Ca 0.25 0.66 -0.13 0.00 -0.53 0.00 0.00 54.79 55.04 2crw n ASP 54 Cb 0.84 -0.26 -0.07 0.00 -0.64 0.00 0.00 41.12 41.00 2crw n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crw n SER 56 N -5.44 0.19 -0.08 0.00 3.41 0.15 0.19 113.62 112.05 2crw n SER 56 Ca -0.05 0.96 -0.07 0.00 -0.26 0.00 0.00 58.87 59.45 2crw n SER 56 Cb 0.37 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.22 0.14 5.00 0.00 -1.22 -1.43 103.07 105.79 2crw h GLY 57 Ca 0.49 0.08 0.18 0.00 0.00 0.00 0.00 47.33 48.08 2crw h GLY 57 CO -0.45 -0.10 0.60 1.76 0.00 0.00 0.00 176.54 178.35 2crw h SER 58 N 0.02 0.77 -0.35 0.19 0.02 0.20 -0.38 113.55 114.01 2crw h SER 58 Ca 0.14 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2crw h SER 58 Cb 0.21 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2crw h SER 58 CO -0.28 0.28 -0.11 0.45 -1.14 0.00 0.00 176.83 176.03 2crw h HIS 59 N 0.76 0.77 -0.79 3.45 3.86 -1.30 -2.90 115.15 119.01 2crw h HIS 59 Ca 0.57 -0.17 0.17 0.00 -1.16 0.00 0.00 60.37 59.77 2crw h HIS 59 Cb 0.86 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 29.10 2crw h HIS 59 CO -0.01 0.86 0.53 0.00 0.86 0.00 0.00 177.93 180.17 2crw h ARG 60 N 0.47 0.38 0.04 2.45 3.08 -0.09 -1.78 114.38 118.94 2crw h ARG 60 Ca 0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2crw h ARG 60 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2crw h ARG 60 CO 0.04 0.25 -0.02 0.77 -1.07 0.00 0.00 179.97 179.94 2crw h SER 61 N 0.39 -0.05 -0.91 7.04 0.02 -1.24 -3.21 113.55 115.61 2crw h SER 61 Ca 0.40 -0.39 0.20 0.00 -0.84 0.00 0.00 61.79 61.16 2crw h SER 61 Cb 0.96 0.01 -0.17 0.00 0.14 0.00 0.00 62.40 63.34 2crw h SER 61 CO -0.13 0.37 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.71 2crw h LEU 62 N -0.47 -0.72 0.00 5.07 3.38 -1.20 -3.46 115.31 117.90 2crw h LEU 62 Ca -0.01 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2crw h LEU 62 Cb 0.43 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2crw h LEU 62 CO 0.01 -0.30 0.00 0.61 0.09 0.00 0.00 178.44 178.85 2crw n GLY 63 N -1.55 3.98 0.48 0.83 0.00 -1.16 -4.71 105.19 103.07 2crw n GLY 63 Ca 0.16 -0.94 0.40 0.00 0.00 0.00 0.00 46.02 45.64 2crw n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2crw n VAL 64 N 0.00 -0.20 -0.15 1.61 0.24 -1.26 0.19 118.33 118.76 2crw n VAL 64 Ca 0.00 1.66 -0.09 0.00 -2.04 0.00 0.00 64.34 63.86 2crw n VAL 64 Cb 0.00 -2.72 -0.00 0.00 -1.47 0.00 0.00 33.84 29.65 2crw n VAL 64 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 2crw h HIS 65 N 0.00 0.73 -0.19 6.34 -0.00 -1.97 -2.88 115.15 117.18 2crw h HIS 65 Ca 0.84 -0.09 -0.13 0.00 -0.00 0.00 0.00 60.37 60.99 2crw h HIS 65 Cb 2.82 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 30.02 2crw h HIS 65 CO -0.00 0.68 -0.40 1.25 -0.00 0.00 0.00 177.93 179.45 2crw h LEU 66 N 0.58 0.69 -6.37 6.12 6.46 0.18 -3.44 115.31 119.53 2crw h LEU 66 Ca 0.14 -0.55 0.03 0.00 -0.12 0.00 0.00 57.88 57.38 2crw h LEU 66 Cb 0.31 -0.20 -0.23 0.00 -0.73 0.00 0.00 40.66 39.81 2crw h LEU 66 CO 0.00 1.12 -0.28 -0.44 -0.62 0.00 0.00 178.44 178.21 2crw s SER 67 N -6.62 -0.98 -0.02 1.25 0.01 -0.28 -4.93 113.70 102.14 2crw s SER 67 Ca -0.12 0.93 -0.23 0.00 1.31 0.00 0.00 55.95 57.83 2crw s SER 67 Cb 0.07 1.96 -0.05 0.00 0.21 0.00 0.00 66.02 68.22 2crw s SER 67 CO 0.83 -0.26 0.70 0.12 0.41 0.00 0.00 173.24 175.04 2crw s PHE 68 N 2.80 3.65 -0.13 2.43 2.19 -1.10 -4.14 117.98 123.68 2crw s PHE 68 Ca 0.12 1.31 -0.03 0.00 0.33 0.00 0.00 56.93 58.66 2crw s PHE 68 Cb -0.14 -2.77 -0.03 0.00 -1.31 0.00 0.00 43.02 38.77 2crw s PHE 68 CO -0.19 0.21 -0.01 0.42 1.83 0.00 0.00 175.22 177.48 2crw s ILE 69 N 0.30 4.17 -0.11 3.12 -1.09 -1.26 -2.34 121.20 123.99 2crw s ILE 69 Ca 0.36 -0.27 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2crw s ILE 69 Cb -0.19 -2.81 0.05 0.00 -1.58 0.00 0.00 42.46 37.94 2crw s ILE 69 CO 0.19 0.53 0.26 -0.13 -1.23 0.00 0.00 174.94 174.56 2crw s ARG 70 N -0.12 0.20 0.95 2.79 1.81 -0.82 -4.99 118.95 118.76 2crw s ARG 70 Ca 0.04 0.59 -0.16 0.00 -1.72 0.00 0.00 55.73 54.48 2crw s ARG 70 Cb -0.13 -0.10 0.24 0.00 -0.45 0.00 0.00 34.95 34.51 2crw s ARG 70 CO 0.02 -0.19 0.81 0.43 -0.68 0.00 0.00 175.30 175.69 2crw n SER 71 N 4.49 -2.00 0.00 0.23 7.64 -1.26 -2.79 113.62 119.92 2crw n SER 71 Ca -0.21 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2crw n SER 71 Cb 0.52 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2crw n SER 71 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2crw n THR 72 N -4.37 0.00 0.12 0.44 -2.24 -1.21 -4.36 114.28 102.66 2crw n THR 72 Ca 0.11 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.69 2crw n THR 72 Cb 0.45 -0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.00 0.40 0.00 -0.78 5.08 -1.96 -3.40 114.58 113.91 2crw h GLU 73 Ca 0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 2crw h GLU 73 Cb 0.73 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2crw h GLU 73 CO 0.00 1.32 -0.44 1.28 -1.00 0.00 0.00 179.01 180.17 2crw n LEU 74 N -3.62 1.36 -4.61 1.33 4.32 -1.26 -4.85 117.00 109.67 2crw n LEU 74 Ca -0.12 0.49 -0.43 0.00 -0.02 0.00 0.00 56.01 55.93 2crw n LEU 74 Cb 1.06 -0.76 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 2crw n LEU 74 CO 0.57 -0.46 1.80 0.47 -1.22 0.00 0.00 177.39 178.55 2crw n ASP 75 N -4.01 3.49 -0.01 -1.43 8.00 -1.26 -4.79 116.55 116.54 2crw n ASP 75 Ca -0.06 0.37 0.02 0.00 0.71 0.00 0.00 54.79 55.83 2crw n ASP 75 Cb 0.23 -1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 39.71 2crw n ASP 75 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2crw n SER 76 N 10.72 3.12 -2.51 -2.24 3.41 -1.26 -4.41 113.62 120.46 2crw n SER 76 Ca 0.28 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.71 2crw n SER 76 Cb 0.44 1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 65.48 2crw n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2crw n ASN 77 N -1.92 5.21 -4.75 4.04 3.02 -1.26 -4.74 115.26 114.86 2crw n ASN 77 Ca -0.04 -2.35 -0.40 0.00 -0.03 0.00 0.00 54.58 51.76 2crw n ASN 77 Cb 0.36 -1.21 -0.05 0.00 -0.61 0.00 0.00 39.78 38.26 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2crw s TRP 78 N 1.88 3.71 -0.02 3.10 0.52 -1.26 -5.04 118.94 121.83 2crw s TRP 78 Ca 0.54 1.40 -0.28 0.00 0.02 0.00 0.00 56.10 57.78 2crw s TRP 78 Cb 0.22 -2.77 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 2crw s TRP 78 CO -0.02 0.28 0.91 -1.54 0.02 0.00 0.00 176.95 176.60 2crw s SER 79 N -0.02 7.27 0.25 2.95 1.04 -1.26 -4.36 113.70 119.56 2crw s SER 79 Ca 0.37 1.54 0.15 0.00 0.48 0.00 0.00 55.95 58.48 2crw s SER 79 Cb -0.20 -2.53 0.89 0.00 0.10 0.00 0.00 66.02 64.28 2crw s SER 79 CO 0.21 -0.23 1.02 0.79 0.98 0.00 0.00 173.24 176.02 2crw n TRP 80 N 3.90 0.71 0.27 5.02 7.02 -1.26 0.84 117.44 133.95 2crw n TRP 80 Ca 0.04 0.72 -0.12 0.00 -1.02 0.00 0.00 57.50 57.12 2crw n TRP 80 Cb 0.51 -1.15 -0.06 0.00 -2.42 0.00 0.00 31.31 28.19 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 2crw h PHE 81 N 0.00 -0.68 -1.00 -5.99 3.57 -1.90 -2.96 116.94 107.97 2crw h PHE 81 Ca 0.55 -0.02 0.28 0.00 3.53 0.00 0.00 57.97 62.31 2crw h PHE 81 Cb 1.51 0.23 -0.13 0.00 2.79 0.00 0.00 35.95 40.34 2crw h PHE 81 CO -0.01 -0.39 0.59 1.96 -2.23 0.00 0.00 178.31 178.23 2crw h GLN 82 N -1.15 0.47 0.48 1.11 4.20 0.07 -0.80 115.11 119.50 2crw h GLN 82 Ca -0.08 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2crw h GLN 82 Cb 0.60 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2crw h GLN 82 CO 0.12 0.31 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.20 2crw h LEU 83 N 0.48 -0.84 -0.65 1.46 3.38 -1.21 -2.98 115.31 114.96 2crw h LEU 83 Ca 0.68 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.83 2crw h LEU 83 Cb 1.40 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 42.31 2crw h LEU 83 CO -0.52 -0.48 0.15 0.03 0.09 0.00 0.00 178.44 177.70 2crw h ARG 84 N -0.77 0.26 -1.65 1.13 2.47 -1.16 -0.03 114.38 114.65 2crw h ARG 84 Ca -0.06 -0.02 0.51 0.00 -1.26 0.00 0.00 59.98 59.15 2crw h ARG 84 Cb 0.62 -0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.78 2crw h ARG 84 CO 0.05 0.17 1.14 0.00 0.56 0.00 0.00 179.97 181.89 2crw h MET 86 N 0.00 0.32 0.73 0.00 2.86 -0.99 -3.11 114.93 114.74 2crw h MET 86 Ca 0.88 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 58.25 2crw h MET 86 Cb 3.24 0.04 0.01 0.00 0.06 0.00 0.00 31.60 34.95 2crw h MET 86 CO -0.22 0.87 -0.35 1.96 1.06 0.00 0.00 176.91 180.23 2crw h GLN 87 N -0.18 -0.94 -0.38 1.72 4.20 0.15 -2.79 115.11 116.88 2crw h GLN 87 Ca -0.01 0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.87 2crw h GLN 87 Cb 0.91 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 2crw h GLN 87 CO 0.06 -0.63 0.79 -0.39 -0.67 0.00 0.00 178.83 177.99 2crw h VAL 88 N -1.25 0.08 0.00 -0.54 -1.51 -1.21 -3.37 116.25 108.44 2crw h VAL 88 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2crw h VAL 88 Cb 0.76 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 2crw h VAL 88 CO 0.16 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.11 2crw n GLY 89 N -1.49 0.68 0.00 5.19 0.00 -1.07 -4.98 105.19 103.53 2crw n GLY 89 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 3.50 0.43 -0.02 0.00 -0.52 -4.69 105.19 108.89 2crw n GLY 90 Ca 0.00 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.92 -0.40 1.61 4.21 -1.79 -3.19 115.58 115.10 2crw h ASN 91 Ca 0.00 0.03 0.08 0.00 1.21 0.00 0.00 56.30 57.63 2crw h ASN 91 Cb 0.00 0.24 -0.09 0.00 -1.12 0.00 0.00 38.32 37.35 2crw h ASN 91 CO 0.00 -0.62 -0.19 0.00 -1.29 0.00 0.00 177.43 175.33 2crw h ALA 92 N -1.44 0.11 -0.72 -0.83 0.00 -1.93 -1.80 119.26 112.67 2crw h ALA 92 Ca -0.11 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2crw h ALA 92 Cb 0.83 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 2crw h ALA 92 CO 0.18 -0.55 -0.28 0.43 0.00 0.00 0.00 179.25 179.04 2crw n SER 93 N -5.37 -0.46 0.06 0.00 7.64 -1.21 -0.30 113.62 113.98 2crw n SER 93 Ca 0.02 1.25 -0.12 0.00 1.01 0.00 0.00 58.87 61.03 2crw n SER 93 Cb 0.28 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.01 -0.20 -1.00 -0.43 0.00 -1.38 0.51 119.26 117.77 2crw h ALA 94 Ca 0.25 -0.23 0.35 0.00 0.00 0.00 0.00 54.91 55.29 2crw h ALA 94 Cb 0.43 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2crw h ALA 94 CO -0.71 -0.34 0.63 0.45 0.00 0.00 0.00 179.25 179.28 2crw n SER 95 N -4.95 0.17 -0.12 0.00 2.88 0.59 -0.67 113.62 111.53 2crw n SER 95 Ca -0.08 1.06 -0.23 0.00 -1.33 0.00 0.00 58.87 58.29 2crw n SER 95 Cb 0.26 -0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.12 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 -4.25 1.92 -0.32 -3.46 7.64 -0.65 -4.39 113.62 110.12 2crw n SER 96 Ca 0.30 0.38 -0.04 0.00 1.01 0.00 0.00 58.87 60.53 2crw n SER 96 Cb 1.15 -0.85 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 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 -4.36 -0.11 -0.22 1.43 -0.00 0.17 0.68 117.46 115.06 2crw n PHE 97 Ca -0.39 0.99 -0.02 0.00 -0.00 0.00 0.00 57.45 58.02 2crw n PHE 97 Cb 0.73 -0.72 0.04 0.00 -0.00 0.00 0.00 39.48 39.54 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 -0.64 0.51 -5.13 0.04 -1.47 -0.90 116.94 109.34 2crw h PHE 98 Ca 0.23 0.07 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 2crw h PHE 98 Cb 0.43 0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.96 2crw h PHE 98 CO -0.74 -0.34 -0.24 1.25 -0.60 0.00 0.00 178.31 177.63 2crw h HIS 99 N -0.08 -0.63 -0.84 -0.55 2.76 0.08 -2.21 115.15 113.68 2crw h HIS 99 Ca 0.28 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.69 2crw h HIS 99 Cb 0.53 0.21 -0.16 0.00 1.55 0.00 0.00 27.41 29.54 2crw h HIS 99 CO -0.60 -0.32 0.10 1.04 -1.30 0.00 0.00 177.93 176.86 2crw n GLN 100 N -5.25 -0.06 -0.00 5.26 1.13 0.11 0.99 117.38 119.56 2crw n GLN 100 Ca -0.10 1.24 -0.13 0.00 -1.94 0.00 0.00 57.00 56.07 2crw n GLN 100 Cb 0.30 -2.01 -0.09 0.00 0.11 0.00 0.00 30.24 28.56 2crw n GLN 100 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crw h HIS 101 N 0.00 0.03 0.00 1.08 2.76 -1.17 -3.48 115.15 114.36 2crw h HIS 101 Ca 0.55 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 2crw h HIS 101 Cb 1.21 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.17 2crw h HIS 101 CO -0.34 0.34 0.00 0.41 -1.30 0.00 0.00 177.93 177.04 2crw n GLY 102 N -0.22 0.75 2.90 5.26 0.00 0.28 -5.10 105.19 109.05 2crw n GLY 102 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw s SER 104 N 1.59 5.28 0.01 0.00 1.04 -1.26 -4.23 113.70 116.12 2crw s SER 104 Ca -0.00 -3.57 0.02 0.00 0.48 0.00 0.00 55.95 52.88 2crw s SER 104 Cb -0.16 -1.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 2crw s SER 104 CO -0.08 -0.18 -0.07 -0.89 0.98 0.00 0.00 173.24 173.00 2crw s THR 105 N -1.09 0.54 -0.27 2.02 2.01 -1.26 -5.06 115.64 112.53 2crw s THR 105 Ca 0.24 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2crw s THR 105 Cb -0.10 -0.50 -0.14 0.00 0.01 0.00 0.00 72.50 71.77 2crw s THR 105 CO -0.11 -0.02 -0.27 -0.46 -0.69 0.00 0.00 174.62 173.06 2crw n ASN 106 N 2.44 1.96 -3.09 3.53 0.23 -1.26 -4.68 115.26 114.38 2crw n ASN 106 Ca -0.16 0.25 -0.40 0.00 -0.53 0.00 0.00 54.58 53.74 2crw n ASN 106 Cb 0.57 -0.75 -0.05 0.00 -2.08 0.00 0.00 39.78 37.46 2crw n ASN 106 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2crw n ASP 107 N -4.05 -0.10 0.08 0.53 8.00 -1.26 -4.63 116.55 115.12 2crw n ASP 107 Ca -0.51 0.80 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 2crw n ASP 107 Cb 0.90 -0.64 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 2crw n ASP 107 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2crw h THR 108 N 1.92 1.46 0.00 -3.53 2.02 -1.98 0.58 112.91 113.39 2crw h THR 108 Ca -0.34 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.37 2crw h THR 108 Cb 0.99 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2crw h THR 108 CO 0.44 0.73 -0.06 -3.20 0.37 0.00 0.00 175.52 173.80 2crw n ASN 109 N -3.71 0.12 -0.02 4.18 2.85 -1.26 -3.38 115.26 114.04 2crw n ASN 109 Ca -0.04 0.42 -0.05 0.00 -0.11 0.00 0.00 54.58 54.81 2crw n ASN 109 Cb 0.78 -0.44 -0.02 0.00 1.24 0.00 0.00 39.78 41.34 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 -1.53 2.03 -0.31 5.20 0.00 -1.15 -3.96 120.51 120.79 2crw n ALA 110 Ca 0.07 -0.39 0.17 0.00 0.00 0.00 0.00 53.44 53.28 2crw n ALA 110 Cb 0.35 0.16 0.35 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.46 0.24 0.03 0.00 3.64 0.00 0.53 116.57 120.54 2crw h LYS 111 Ca -0.03 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 2crw h LYS 111 Cb 0.53 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2crw h LYS 111 CO -0.02 0.16 -1.01 1.88 -2.27 0.00 0.00 179.45 178.19 2crw h TYR 112 N 0.24 0.15 -0.20 1.91 0.05 -1.71 -3.18 116.97 114.23 2crw h TYR 112 Ca 0.62 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 59.26 2crw h TYR 112 Cb 1.31 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.02 2crw h TYR 112 CO -0.18 1.03 0.05 0.09 -1.05 0.00 0.00 178.16 178.09 2crw n ASN 113 N -3.46 2.58 -5.01 3.88 3.02 0.17 -4.36 115.26 112.07 2crw n ASN 113 Ca -0.02 -2.32 -0.19 0.00 -0.03 0.00 0.00 54.58 52.02 2crw n ASN 113 Cb 0.92 -0.56 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 2crw n ASN 113 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2crw s SER 114 N -0.09 5.23 0.01 6.41 1.04 -0.31 -4.94 113.70 121.05 2crw s SER 114 Ca 0.16 -0.75 -0.25 0.00 0.48 0.00 0.00 55.95 55.59 2crw s SER 114 Cb 0.12 -0.03 -0.17 0.00 0.10 0.00 0.00 66.02 66.04 2crw s SER 114 CO 0.04 -1.11 1.29 -0.09 0.98 0.00 0.00 173.24 174.35 2crw h ARG 115 N 0.41 -0.29 -0.53 4.02 9.65 -1.89 -2.71 114.38 123.05 2crw h ARG 115 Ca -0.34 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.67 2crw h ARG 115 Cb 1.29 0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 29.83 2crw h ARG 115 CO 0.44 0.03 -0.14 0.00 2.80 0.00 0.00 179.97 183.10 2crw h ALA 116 N 0.03 0.33 -0.54 2.80 0.00 -1.93 -0.42 119.26 119.53 2crw h ALA 116 Ca -0.03 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2crw h ALA 116 Cb 0.46 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2crw h ALA 116 CO 0.05 -0.45 0.21 0.00 0.00 0.00 0.00 179.25 179.06 2crw h ALA 117 N 1.50 0.68 0.92 0.00 0.00 -1.75 -2.31 119.26 118.30 2crw h ALA 117 Ca 0.25 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2crw h ALA 117 Cb 0.40 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2crw h ALA 117 CO -0.55 -0.19 -0.46 1.96 0.00 0.00 0.00 179.25 180.01 2crw h GLN 118 N 0.40 -1.21 -1.33 0.00 1.08 -0.80 -2.43 115.11 110.82 2crw h GLN 118 Ca 0.26 0.08 0.40 0.00 -1.45 0.00 0.00 58.65 57.94 2crw h GLN 118 Cb 0.28 0.28 -0.10 0.00 -0.05 0.00 0.00 27.48 27.89 2crw h GLN 118 CO -0.26 -0.81 0.90 -0.07 -0.95 0.00 0.00 178.83 177.64 2crw h LEU 119 N -1.26 0.20 -0.02 1.46 3.38 -0.94 0.33 115.31 118.47 2crw h LEU 119 Ca -0.12 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2crw h LEU 119 Cb 0.97 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2crw h LEU 119 CO 0.19 -0.06 0.01 0.22 0.09 0.00 0.00 178.44 178.89 2crw h TYR 120 N 0.12 0.04 0.58 1.13 5.03 -0.93 -2.04 116.97 120.91 2crw h TYR 120 Ca 0.73 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 62.02 2crw h TYR 120 Cb 2.45 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 40.70 2crw h TYR 120 CO -0.00 0.27 -0.45 0.00 -1.32 0.00 0.00 178.16 176.66 2crw h ARG 121 N -0.20 -0.96 -0.96 1.82 3.08 -0.09 -1.51 114.38 115.57 2crw h ARG 121 Ca 0.01 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.33 2crw h ARG 121 Cb 0.25 0.22 -0.11 0.00 0.08 0.00 0.00 29.97 30.40 2crw h ARG 121 CO 0.00 -0.64 0.54 1.05 -1.07 0.00 0.00 179.97 179.84 2crw h GLU 122 N -1.00 0.60 -0.26 0.04 4.11 -1.47 -0.14 114.58 116.47 2crw h GLU 122 Ca -0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2crw h GLU 122 Cb 0.84 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2crw h GLU 122 CO 0.01 0.40 0.17 -0.22 0.07 0.00 0.00 179.01 179.43 2crw h LYS 123 N 0.62 0.34 -0.63 1.06 3.64 -0.89 -2.09 116.57 118.61 2crw h LYS 123 Ca 0.58 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 60.07 2crw h LYS 123 Cb 0.99 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 2crw h LYS 123 CO -0.44 0.24 0.43 0.82 -2.27 0.00 0.00 179.45 178.24 2crw h ILE 124 N 0.34 0.79 0.25 2.00 1.08 0.00 -1.47 117.51 120.50 2crw h ILE 124 Ca 0.09 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2crw h ILE 124 Cb -0.02 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 2crw h ILE 124 CO -0.02 0.05 -0.12 0.50 -0.69 0.00 0.00 178.15 177.87 2crw h LYS 125 N 0.25 -0.33 -0.11 2.37 3.64 -0.97 0.74 116.57 122.17 2crw h LYS 125 Ca 0.30 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2crw h LYS 125 Cb 0.85 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2crw h LYS 125 CO -0.07 -0.06 0.00 1.03 -2.27 0.00 0.00 179.45 178.09 2crw h SER 126 N -0.58 -0.03 0.94 4.20 0.87 -1.17 -3.03 113.55 114.75 2crw h SER 126 Ca -0.03 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2crw h SER 126 Cb 0.42 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2crw h SER 126 CO 0.06 0.00 -0.46 -0.07 -0.53 0.00 0.00 176.83 175.83 2crw h LEU 127 N 0.04 -1.10 -1.51 2.23 3.38 -1.31 -2.44 115.31 114.60 2crw h LEU 127 Ca 0.05 0.04 0.46 0.00 0.09 0.00 0.00 57.88 58.52 2crw h LEU 127 Cb 0.06 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2crw h LEU 127 CO -0.08 -0.78 1.07 0.00 0.09 0.00 0.00 178.44 178.74 2crw n ALA 128 N -2.65 1.46 -0.09 1.53 0.00 0.25 0.23 120.51 121.25 2crw n ALA 128 Ca -0.16 0.59 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 2crw n ALA 128 Cb 0.51 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 2crw n ALA 128 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2crw h SER 129 N 0.00 0.55 -0.74 0.00 0.02 -1.31 0.22 113.55 112.29 2crw h SER 129 Ca 0.77 -0.41 0.14 0.00 -0.84 0.00 0.00 61.79 61.45 2crw h SER 129 Cb 2.93 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 65.23 2crw h SER 129 CO -0.11 0.83 0.30 0.06 -1.14 0.00 0.00 176.83 176.77 2crw h GLN 130 N 0.26 0.44 0.08 3.45 3.07 0.29 0.38 115.11 123.08 2crw h GLN 130 Ca 0.06 -0.03 -0.29 0.00 0.09 0.00 0.00 58.65 58.48 2crw h GLN 130 Cb 0.62 -0.10 0.03 0.00 0.08 0.00 0.00 27.48 28.11 2crw h GLN 130 CO 0.04 0.29 -1.17 0.00 0.09 0.00 0.00 178.83 178.08 2crw h ALA 131 N 1.53 0.03 0.10 0.06 0.00 -1.48 -3.05 119.26 116.46 2crw h ALA 131 Ca 0.40 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2crw h ALA 131 Cb 0.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2crw h ALA 131 CO -0.39 0.68 -0.05 1.15 0.00 0.00 0.00 179.25 180.64 2crw h THR 132 N 0.31 0.00 -0.99 0.00 2.02 -0.09 -3.16 112.91 111.00 2crw h THR 132 Ca -0.17 -0.02 0.32 0.00 0.77 0.00 0.00 66.41 67.30 2crw h THR 132 Cb 1.84 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 68.10 2crw h THR 132 CO 0.23 0.00 0.52 -0.09 0.37 0.00 0.00 175.52 176.55 2crw h ARG 133 N -0.16 0.29 -6.09 6.66 2.43 -0.46 -3.36 114.38 113.68 2crw h ARG 133 Ca -0.01 -0.02 -0.79 0.00 -0.81 0.00 0.00 59.98 58.35 2crw h ARG 133 Cb 0.11 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2crw h ARG 133 CO 0.02 0.19 0.79 1.63 -1.51 0.00 0.00 179.97 181.10 2crw n LYS 134 N -5.08 0.71 -4.28 0.20 4.76 -1.15 -0.44 118.16 112.87 2crw n LYS 134 Ca 0.31 0.26 -0.32 0.00 -2.87 0.00 0.00 58.31 55.68 2crw n LYS 134 Cb 0.96 -1.87 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 2crw n LYS 134 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2crw n HIS 135 N 4.71 -1.35 0.00 2.13 8.25 -1.26 -4.47 115.22 123.22 2crw n HIS 135 Ca 0.28 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 2crw n HIS 135 Cb 0.06 -2.83 0.00 0.00 1.12 0.00 0.00 29.99 28.35 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 136 N -2.11 1.09 2.13 -1.41 0.00 0.41 -0.20 105.19 105.10 2crw n GLY 136 Ca -0.21 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 3.17 -3.73 2.61 -2.24 -1.26 -4.73 114.28 108.10 2crw n THR 137 Ca 0.00 -1.70 -0.23 0.00 -2.27 0.00 0.00 64.05 59.85 2crw n THR 137 Cb 0.00 -2.14 -0.18 0.00 -2.10 0.00 0.00 70.33 65.92 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 2.15 1.58 -0.79 3.42 2.15 0.72 -5.06 116.67 120.84 2crw s ASP 138 Ca 0.63 -0.11 -0.13 0.00 0.43 0.00 0.00 52.55 53.37 2crw s ASP 138 Cb 0.26 -0.36 -0.23 0.00 -0.30 0.00 0.00 42.92 42.29 2crw s ASP 138 CO -0.02 -0.22 1.86 0.18 -0.17 0.00 0.00 175.17 176.80 2crw n LEU 139 N 5.19 -0.67 -0.18 -1.34 7.99 -1.26 -4.63 117.00 122.09 2crw n LEU 139 Ca -0.06 -0.23 0.16 0.00 -0.01 0.00 0.00 56.01 55.88 2crw n LEU 139 Cb 0.50 -0.53 0.30 0.00 -0.11 0.00 0.00 43.42 43.58 2crw n LEU 139 CO 0.09 -0.93 0.57 -2.67 -1.51 0.00 0.00 177.39 172.94 2crw n TRP 140 N 5.78 0.61 -1.02 -1.77 2.14 -1.26 -4.50 117.44 117.42 2crw n TRP 140 Ca 0.53 0.67 -0.33 0.00 2.07 0.00 0.00 57.50 60.44 2crw n TRP 140 Cb 0.08 -1.08 0.02 0.00 -0.81 0.00 0.00 31.31 29.52 2crw n TRP 140 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2crw n LEU 141 N -4.35 -3.90 -4.29 5.67 4.32 -1.26 -4.72 117.00 108.48 2crw n LEU 141 Ca 0.20 0.43 -0.41 0.00 -0.02 0.00 0.00 56.01 56.21 2crw n LEU 141 Cb 0.68 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 2crw n LEU 141 CO -0.00 -4.55 -0.49 -0.90 -1.22 0.00 0.00 177.39 170.24 2crw n ASP 142 N 2.48 -3.06 -4.55 -1.43 5.75 -1.26 -4.70 116.55 109.78 2crw n ASP 142 Ca 0.04 0.77 -0.35 0.00 -0.01 0.00 0.00 54.79 55.24 2crw n ASP 142 Cb 0.44 -0.88 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 2crw n ASP 142 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2crw s SER 143 N -1.00 4.99 -0.20 -1.12 1.04 -1.26 -4.76 113.70 111.39 2crw s SER 143 Ca 0.59 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.23 2crw s SER 143 Cb -0.59 -2.53 -0.20 0.00 0.10 0.00 0.00 66.02 62.80 2crw s SER 143 CO 0.64 -2.63 0.11 -1.54 0.98 0.00 0.00 173.24 170.79 2crw n SER 144 N 13.97 1.99 -3.64 7.02 3.41 -1.26 -5.04 113.62 130.07 2crw n SER 144 Ca 0.28 0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 59.09 2crw n SER 144 Cb 0.51 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 2crw n SER 144 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2crw s GLY 145 N -5.50 0.12 -0.93 5.00 0.00 -1.26 -5.09 107.32 99.65 2crw s GLY 145 Ca -0.29 3.00 -0.24 0.00 0.00 0.00 0.00 44.72 47.18 2crw s GLY 145 CO 0.64 1.58 1.95 2.56 0.00 0.00 0.00 173.10 179.83 2crw s PRO 146 N -0.37 2.54 -0.61 2.90 0.04 -1.26 -4.90 135.00 133.35 2crw s PRO 146 Ca 0.06 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.69 2crw s PRO 146 Cb -0.03 -5.08 0.16 0.00 0.04 0.00 0.00 34.50 29.58 2crw s PRO 146 CO -0.10 -3.45 0.42 -1.12 0.04 0.00 0.00 177.00 172.79 2crw s SER 147 N 7.88 5.23 -0.16 6.66 0.01 -1.26 -4.91 113.70 127.15 2crw s SER 147 Ca 0.70 -2.79 -0.13 0.00 1.31 0.00 0.00 55.95 55.04 2crw s SER 147 Cb -0.06 -1.85 -0.09 0.00 0.21 0.00 0.00 66.02 64.23 2crw s SER 147 CO 0.01 -0.38 0.04 -1.28 0.41 0.00 0.00 173.24 172.03 2crw h SER 148 N 7.11 0.00 0.00 2.44 0.87 -1.99 -3.50 113.55 118.48 2crw h SER 148 Ca -0.03 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2crw h SER 148 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2crw h SER 148 CO 0.71 0.96 0.00 0.61 -0.53 0.00 0.00 176.83 178.58