#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9m n LEU 2 N 0.00 5.35 0.25 -0.89 4.77 -1.26 -4.66 117.00 120.56 2b9m n LEU 2 Ca 0.00 -3.18 0.13 0.00 -0.03 0.00 0.00 56.01 52.93 2b9m n LEU 2 Cb 0.00 -1.21 0.58 0.00 -2.33 0.00 0.00 43.42 40.47 2b9m n LEU 2 CO 0.00 0.58 0.89 0.74 -1.33 0.00 0.00 177.39 178.27 2b9m h THR 3 N 3.71 0.39 -1.06 -5.08 2.02 -2.04 -3.39 112.91 107.46 2b9m h THR 3 Ca 0.53 -0.83 0.13 0.00 0.77 0.00 0.00 66.41 67.01 2b9m h THR 3 Cb 0.35 1.61 -0.21 0.00 -1.74 0.00 0.00 68.15 68.16 2b9m h THR 3 CO 1.66 0.14 -0.07 -0.62 0.37 0.00 0.00 175.52 177.00 2b9m s ASP 4 N -6.02 -1.01 0.61 4.18 -1.08 -1.26 -4.95 116.67 107.14 2b9m s ASP 4 Ca 0.00 0.88 0.36 0.00 -0.52 0.00 0.00 52.55 53.27 2b9m s ASP 4 Cb 0.10 1.95 2.02 0.00 -1.46 0.00 0.00 42.92 45.53 2b9m s ASP 4 CO 0.60 -0.19 2.28 -0.65 0.52 0.00 0.00 175.17 177.72 2b9m h PRO 5 N 7.92 0.00 -0.02 4.34 0.11 -1.97 -0.16 132.00 142.22 2b9m h PRO 5 Ca -0.19 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.67 2b9m h PRO 5 Cb 1.14 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.27 2b9m h PRO 5 CO 0.12 0.01 -0.99 0.97 -0.21 0.00 0.00 178.00 177.90 2b9m h ILE 6 N 0.00 1.31 -0.58 4.15 -0.00 -1.97 -2.00 117.51 118.42 2b9m h ILE 6 Ca -0.00 -2.26 -0.03 0.00 -0.00 0.00 0.00 64.86 62.57 2b9m h ILE 6 Cb 0.06 2.35 -0.03 0.00 -0.00 0.00 0.00 36.82 39.20 2b9m h ILE 6 CO 0.00 0.70 0.25 0.00 -0.00 0.00 0.00 178.15 179.09 2b9m h ALA 7 N 0.50 0.76 0.00 0.18 0.00 -1.49 -2.41 119.26 116.80 2b9m h ALA 7 Ca -0.11 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2b9m h ALA 7 Cb 1.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2b9m h ALA 7 CO 0.19 0.36 -0.58 0.38 0.00 0.00 0.00 179.25 179.60 2b9m h ASP 8 N 0.80 0.00 0.03 0.00 3.04 -1.25 -3.14 116.42 115.90 2b9m h ASP 8 Ca 0.20 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.98 2b9m h ASP 8 Cb 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 2b9m h ASP 8 CO -0.02 0.58 -0.01 -0.03 -2.04 0.00 0.00 179.24 177.71 2b9m h MET 9 N 0.00 -0.04 -0.89 4.15 4.05 -1.08 0.60 114.93 121.72 2b9m h MET 9 Ca -0.01 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.65 2b9m h MET 9 Cb 1.07 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.75 2b9m h MET 9 CO 0.07 0.01 0.31 -0.07 0.23 0.00 0.00 176.91 177.46 2b9m h LEU 10 N -0.08 0.15 0.02 3.39 3.38 -1.39 -0.47 115.31 120.31 2b9m h LEU 10 Ca -0.00 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2b9m h LEU 10 Cb 0.07 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2b9m h LEU 10 CO 0.01 -0.10 -0.01 0.71 0.09 0.00 0.00 178.44 179.13 2b9m h THR 11 N 0.28 1.14 -1.46 0.22 1.35 -1.48 -2.42 112.91 110.54 2b9m h THR 11 Ca 0.56 -1.79 0.42 0.00 -0.55 0.00 0.00 66.41 65.06 2b9m h THR 11 Cb 1.13 2.13 -0.06 0.00 -1.73 0.00 0.00 68.15 69.62 2b9m h THR 11 CO -0.61 0.38 1.07 0.03 -0.25 0.00 0.00 175.52 176.14 2b9m h ARG 12 N -0.98 0.00 0.07 4.72 3.08 -0.67 0.87 114.38 121.47 2b9m h ARG 12 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2b9m h ARG 12 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2b9m h ARG 12 CO 0.00 0.00 -0.03 0.82 -1.07 0.00 0.00 179.97 179.69 2b9m h ILE 13 N 0.00 0.00 -0.22 2.04 2.04 -1.01 -3.20 117.51 117.17 2b9m h ILE 13 Ca 0.69 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 66.45 2b9m h ILE 13 Cb 2.82 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2b9m h ILE 13 CO -0.01 0.00 -0.07 0.08 0.00 0.00 0.00 178.15 178.16 2b9m h ARG 14 N -0.15 0.34 -0.41 2.37 -0.00 -0.71 -1.73 114.38 114.08 2b9m h ARG 14 Ca -0.01 -0.07 -0.10 0.00 -0.00 0.00 0.00 59.98 59.80 2b9m h ARG 14 Cb 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 29.97 2b9m h ARG 14 CO 0.02 0.42 -0.14 -0.91 -0.00 0.00 0.00 179.97 179.36 2b9m h ASN 15 N 0.32 0.75 1.63 0.08 2.35 -1.05 -2.17 115.58 117.49 2b9m h ASN 15 Ca 0.07 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2b9m h ASN 15 Cb 0.33 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2b9m h ASN 15 CO 0.02 0.90 -0.19 0.00 -1.65 0.00 0.00 177.43 176.51 2b9m h ALA 16 N 1.17 0.90 0.00 -0.83 0.00 -1.49 -3.28 119.26 115.72 2b9m h ALA 16 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2b9m h ALA 16 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2b9m h ALA 16 CO 0.04 0.00 -0.58 1.15 0.00 0.00 0.00 179.25 179.86 2b9m h THR 17 N 0.00 1.11 -0.01 0.00 2.02 -0.84 -1.08 112.91 114.10 2b9m h THR 17 Ca 0.00 -2.24 -0.18 0.00 0.77 0.00 0.00 66.41 64.76 2b9m h THR 17 Cb 0.91 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 2b9m h THR 17 CO 0.00 0.57 -0.79 0.03 0.37 0.00 0.00 175.52 175.70 2b9m h ARG 18 N 0.00 0.15 0.00 6.66 -0.00 -1.47 -3.29 114.38 116.43 2b9m h ARG 18 Ca -0.01 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 2b9m h ARG 18 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.29 2b9m h ARG 18 CO 0.08 0.86 -0.85 1.33 0.00 0.00 0.00 179.97 181.39 2b9m n VAL 19 N -3.70 0.03 -2.96 2.04 0.24 -1.20 -5.00 118.33 107.78 2b9m n VAL 19 Ca -0.03 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2b9m n VAL 19 Cb 0.75 0.57 0.03 0.00 -1.47 0.00 0.00 33.84 33.72 2b9m n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2b9m n TYR 20 N -1.60 -1.24 -1.91 6.34 4.01 -0.49 -4.97 117.16 117.30 2b9m n TYR 20 Ca 0.04 0.43 -0.38 0.00 -0.16 0.00 0.00 57.90 57.83 2b9m n TYR 20 Cb 0.36 -2.75 -0.03 0.00 -0.31 0.00 0.00 39.34 36.60 2b9m n TYR 20 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2b9m s LYS 21 N -5.55 2.56 0.26 -0.72 -0.14 -0.72 -4.88 119.74 110.55 2b9m s LYS 21 Ca 0.25 0.89 -0.05 0.00 -1.36 0.00 0.00 55.97 55.70 2b9m s LYS 21 Cb -0.11 -4.42 0.51 0.00 -1.68 0.00 0.00 37.83 32.13 2b9m s LYS 21 CO 0.31 -2.79 1.63 0.93 -0.76 0.00 0.00 175.35 174.67 2b9m h GLU 22 N 15.93 0.10 -6.24 1.68 5.08 -1.93 -3.40 114.58 125.80 2b9m h GLU 22 Ca -0.26 -0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.59 2b9m h GLU 22 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2b9m h GLU 22 CO 1.19 0.07 -0.29 -1.54 -1.00 0.00 0.00 179.01 177.44 2b9m s SER 23 N -5.16 5.03 -0.30 1.42 1.04 -1.26 -3.75 113.70 110.72 2b9m s SER 23 Ca -0.13 -0.85 -0.15 0.00 0.48 0.00 0.00 55.95 55.30 2b9m s SER 23 Cb 0.24 -0.16 0.16 0.00 0.10 0.00 0.00 66.02 66.35 2b9m s SER 23 CO 0.76 -0.92 0.96 0.28 0.98 0.00 0.00 173.24 175.31 2b9m s THR 24 N -2.57 -0.39 0.31 2.02 -1.32 -0.01 -4.93 115.64 108.74 2b9m s THR 24 Ca 0.48 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.69 2b9m s THR 24 Cb -0.04 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 2b9m s THR 24 CO 0.29 0.00 1.02 -1.81 -2.21 0.00 0.00 174.62 171.91 2b9m s ASP 25 N 2.18 7.23 0.02 8.08 1.11 -1.26 -0.79 116.67 133.24 2b9m s ASP 25 Ca -0.05 2.05 -0.13 0.00 0.18 0.00 0.00 52.55 54.61 2b9m s ASP 25 Cb -0.06 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.35 2b9m s ASP 25 CO -0.17 -0.15 0.27 0.54 1.18 0.00 0.00 175.17 176.84 2b9m s VAL 26 N -1.39 0.08 0.56 -1.27 0.11 0.23 -4.96 120.40 113.77 2b9m s VAL 26 Ca 0.48 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 2b9m s VAL 26 Cb -0.25 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 2b9m s VAL 26 CO 0.32 -0.37 1.24 -2.65 -3.33 0.00 0.00 175.10 170.31 2b9m n PRO 27 N 0.84 1.41 -2.91 1.54 -0.02 -1.26 -0.63 135.00 133.97 2b9m n PRO 27 Ca -0.20 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 2b9m n PRO 27 Cb 0.58 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 2b9m n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b9m s ALA 28 N -1.35 3.23 -0.10 3.55 0.00 -1.26 -4.29 121.76 121.54 2b9m s ALA 28 Ca 0.73 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 2b9m s ALA 28 Cb -0.42 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.13 2b9m s ALA 28 CO 0.48 -2.18 0.27 0.45 0.00 0.00 0.00 175.76 174.77 2b9m s SER 29 N 2.58 -0.28 0.35 0.00 0.15 -1.26 -4.97 113.70 110.26 2b9m s SER 29 Ca 0.29 0.55 0.09 0.00 0.70 0.00 0.00 55.95 57.57 2b9m s SER 29 Cb -0.13 0.52 0.82 0.00 -1.71 0.00 0.00 66.02 65.52 2b9m s SER 29 CO 0.20 -0.11 1.84 0.03 1.20 0.00 0.00 173.24 176.39 2b9m h ARG 30 N 6.15 0.67 0.06 5.44 3.08 -1.99 0.65 114.38 128.44 2b9m h ARG 30 Ca -0.30 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.56 2b9m h ARG 30 Cb 1.18 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.10 2b9m h ARG 30 CO 0.35 0.44 -0.60 0.35 -1.07 0.00 0.00 179.97 179.44 2b9m h PHE 31 N 0.69 0.50 0.00 3.04 3.57 -1.99 -2.92 116.94 119.83 2b9m h PHE 31 Ca 0.49 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2b9m h PHE 31 Cb 0.83 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2b9m h PHE 31 CO -0.00 1.18 0.00 1.57 -2.23 0.00 0.00 178.31 178.82 2b9m h LYS 32 N -0.32 0.00 -0.10 1.11 2.10 -1.85 -1.81 116.57 115.70 2b9m h LYS 32 Ca -0.09 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.33 2b9m h LYS 32 Cb 1.39 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.72 2b9m h LYS 32 CO 0.12 0.00 -0.83 1.49 -2.00 0.00 0.00 179.45 178.23 2b9m h GLU 33 N 0.00 0.68 0.00 0.07 4.22 -0.91 -3.02 114.58 115.61 2b9m h GLU 33 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.85 2b9m h GLU 33 Cb 0.43 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2b9m h GLU 33 CO 0.00 1.20 0.00 0.93 -2.18 0.00 0.00 179.01 178.96 2b9m h GLU 34 N 0.44 0.00 0.39 1.92 5.08 -1.15 0.67 114.58 121.93 2b9m h GLU 34 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2b9m h GLU 34 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2b9m h GLU 34 CO 0.16 0.00 -0.19 0.82 -1.00 0.00 0.00 179.01 178.80 2b9m h ILE 35 N 0.00 0.28 0.00 3.13 1.08 -1.36 -1.57 117.51 119.07 2b9m h ILE 35 Ca 0.00 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2b9m h ILE 35 Cb 0.52 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 2b9m h ILE 35 CO 0.00 0.06 0.00 0.17 -0.69 0.00 0.00 178.15 177.69 2b9m h LEU 36 N -1.05 0.00 -0.28 1.44 8.10 -1.52 0.29 115.31 122.30 2b9m h LEU 36 Ca -0.05 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.84 2b9m h LEU 36 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 2b9m h LEU 36 CO 0.09 0.00 -0.18 -0.09 -4.11 0.00 0.00 178.44 174.15 2b9m h ARG 37 N 0.00 0.62 -0.00 0.17 1.12 -0.88 -1.85 114.38 113.56 2b9m h ARG 37 Ca 0.00 -0.29 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2b9m h ARG 37 Cb 0.34 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 2b9m h ARG 37 CO 0.00 0.88 -0.03 -0.89 -3.11 0.00 0.00 179.97 176.82 2b9m n ILE 38 N -4.38 0.00 -0.04 1.20 2.08 -0.20 -1.45 119.36 116.57 2b9m n ILE 38 Ca -0.04 -0.05 -0.18 0.00 0.56 0.00 0.00 62.75 63.04 2b9m n ILE 38 Cb 0.40 -0.25 -0.13 0.00 -0.75 0.00 0.00 39.64 38.91 2b9m n ILE 38 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2b9m h LEU 39 N 0.50 0.16 -0.31 1.39 -0.00 -0.35 -3.35 115.31 113.35 2b9m h LEU 39 Ca 0.00 -0.85 -0.18 0.00 -0.00 0.00 0.00 57.88 56.84 2b9m h LEU 39 Cb 0.21 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 2b9m h LEU 39 CO 0.00 1.31 -0.85 0.00 -0.00 0.00 0.00 178.44 178.89 2b9m h ALA 40 N -0.10 0.58 0.00 1.53 0.00 -1.29 -3.10 119.26 116.87 2b9m h ALA 40 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2b9m h ALA 40 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2b9m h ALA 40 CO -0.01 1.00 0.00 -0.09 0.00 0.00 0.00 179.25 180.16 2b9m h ARG 41 N 0.03 0.00 -0.17 0.00 1.12 -1.45 -3.01 114.38 110.90 2b9m h ARG 41 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2b9m h ARG 41 Cb 1.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.45 2b9m h ARG 41 CO 0.12 0.00 0.00 0.39 -3.11 0.00 0.00 179.97 177.37 2b9m n GLU 42 N -2.75 2.70 0.00 0.20 -0.58 -1.23 -5.06 120.64 113.91 2b9m n GLU 42 Ca 0.02 -2.09 0.00 0.00 -0.42 0.00 0.00 57.16 54.67 2b9m n GLU 42 Cb 0.34 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2b9m n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b9m n GLY 43 N -0.27 0.84 5.80 0.62 0.00 -1.14 -5.02 105.19 106.03 2b9m n GLY 43 Ca 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2b9m n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b9m n PHE 44 N 0.00 0.00 -3.49 1.61 3.72 -1.23 -3.96 117.46 114.11 2b9m n PHE 44 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2b9m n PHE 44 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 2b9m n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2b9m s ILE 45 N 0.00 5.20 0.41 4.37 -4.36 -1.23 -3.97 121.20 121.63 2b9m s ILE 45 Ca 0.00 0.72 0.16 0.00 -0.26 0.00 0.00 60.65 61.27 2b9m s ILE 45 Cb 0.00 -3.69 0.17 0.00 1.25 0.00 0.00 42.46 40.19 2b9m s ILE 45 CO 0.00 0.44 1.94 0.11 0.24 0.00 0.00 174.94 177.67 2b9m h LYS 46 N 6.00 0.00 -1.05 0.37 1.57 -1.17 -3.39 116.57 118.90 2b9m h LYS 46 Ca -0.45 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.53 2b9m h LYS 46 Cb 1.19 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.17 2b9m h LYS 46 CO 0.70 0.25 0.90 0.20 -0.57 0.00 0.00 179.45 180.93 2b9m s GLY 47 N -4.24 0.36 0.30 3.86 0.00 -1.23 -4.99 107.32 101.39 2b9m s GLY 47 Ca -0.03 3.52 0.09 0.00 0.00 0.00 0.00 44.72 48.29 2b9m s GLY 47 CO 0.69 1.89 0.10 -2.52 0.00 0.00 0.00 173.10 173.26 2b9m s TYR 48 N -0.05 2.75 0.11 1.90 -0.85 -1.26 0.80 117.35 120.76 2b9m s TYR 48 Ca 0.08 -0.29 -0.07 0.00 -0.52 0.00 0.00 57.07 56.27 2b9m s TYR 48 Cb -0.05 -1.45 0.03 0.00 0.38 0.00 0.00 41.96 40.87 2b9m s TYR 48 CO -0.16 0.46 0.34 -0.85 -1.52 0.00 0.00 175.55 173.83 2b9m n GLU 49 N -1.06 0.34 -3.88 -3.49 -0.00 0.13 -4.96 120.64 107.72 2b9m n GLU 49 Ca -0.05 -0.71 -0.29 0.00 -0.00 0.00 0.00 57.16 56.11 2b9m n GLU 49 Cb 0.60 0.91 -0.16 0.00 -0.00 0.00 0.00 31.44 32.79 2b9m n GLU 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2b9m s ARG 50 N -2.03 1.38 0.10 3.44 3.00 -1.26 -1.65 118.95 121.93 2b9m s ARG 50 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 55.73 55.17 2b9m s ARG 50 Cb -0.01 -2.23 -0.04 0.00 0.00 0.00 0.00 34.95 32.67 2b9m s ARG 50 CO 0.03 -0.52 0.09 0.08 0.00 0.00 0.00 175.30 174.98 2b9m s VAL 51 N 1.59 4.49 -0.23 3.52 1.01 -0.42 -4.95 120.40 125.41 2b9m s VAL 51 Ca -0.02 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 2b9m s VAL 51 Cb -0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2b9m s VAL 51 CO -0.07 0.07 0.32 -1.81 0.00 0.00 0.00 175.10 173.61 2b9m s ASP 52 N -2.55 6.30 -0.27 3.32 -0.00 -1.26 -1.23 116.67 120.98 2b9m s ASP 52 Ca 0.29 0.34 -0.02 0.00 -0.00 0.00 0.00 52.55 53.17 2b9m s ASP 52 Cb -0.12 -2.19 0.04 0.00 -0.00 0.00 0.00 42.92 40.65 2b9m s ASP 52 CO 0.22 -0.06 -0.04 -0.69 -0.00 0.00 0.00 175.17 174.60 2b9m s VAL 53 N 1.41 2.91 0.00 -1.27 1.01 -0.92 -4.72 120.40 118.81 2b9m s VAL 53 Ca 0.15 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2b9m s VAL 53 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2b9m s VAL 53 CO 0.07 0.07 0.00 0.47 0.00 0.00 0.00 175.10 175.71 2b9m n ASP 54 N 4.64 0.00 0.00 3.32 9.92 -1.26 -1.45 116.55 131.72 2b9m n ASP 54 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 2b9m n ASP 54 Cb 0.45 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 2b9m n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2b9m n GLY 55 N -1.00 4.70 3.67 0.44 0.00 -1.26 -5.11 105.19 106.63 2b9m n GLY 55 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2b9m n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9m s LYS 56 N 0.00 4.16 0.47 1.61 3.01 -0.53 -4.96 119.74 123.50 2b9m s LYS 56 Ca 0.00 2.45 -0.24 0.00 -1.01 0.00 0.00 55.97 57.17 2b9m s LYS 56 Cb 0.00 -4.00 -0.07 0.00 -1.01 0.00 0.00 37.83 32.75 2b9m s LYS 56 CO 0.00 -0.89 1.38 -1.25 0.51 0.00 0.00 175.35 175.10 2b9m s PRO 57 N 4.00 3.56 -0.01 -1.68 0.04 -1.26 -2.17 135.00 137.48 2b9m s PRO 57 Ca 0.82 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 64.14 2b9m s PRO 57 Cb -0.40 -2.54 -0.00 0.00 0.04 0.00 0.00 34.50 31.60 2b9m s PRO 57 CO 0.36 -0.88 0.07 0.71 0.04 0.00 0.00 177.00 177.30 2b9m s TYR 58 N -1.25 0.03 -0.40 0.56 1.51 -0.37 -4.32 117.35 113.12 2b9m s TYR 58 Ca 0.64 -0.06 -0.12 0.00 -1.01 0.00 0.00 57.07 56.52 2b9m s TYR 58 Cb -0.42 -0.04 0.04 0.00 -0.11 0.00 0.00 41.96 41.43 2b9m s TYR 58 CO 0.52 -0.14 0.25 -1.17 -1.11 0.00 0.00 175.55 173.90 2b9m s LEU 59 N -0.69 4.93 0.00 -1.29 0.20 0.20 -1.30 118.68 120.74 2b9m s LEU 59 Ca -0.08 -1.06 0.02 0.00 0.69 0.00 0.00 54.13 53.70 2b9m s LEU 59 Cb -0.05 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 2b9m s LEU 59 CO 0.00 -0.44 -0.01 -0.60 -0.29 0.00 0.00 176.35 175.01 2b9m s ARG 60 N 1.57 2.73 0.12 1.98 3.52 -0.66 0.76 118.95 128.98 2b9m s ARG 60 Ca 0.03 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 2b9m s ARG 60 Cb -0.20 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2b9m s ARG 60 CO 0.07 0.62 -0.11 0.08 -0.81 0.00 0.00 175.30 175.15 2b9m s VAL 61 N -1.07 1.12 -0.05 7.11 1.01 0.03 0.20 120.40 128.76 2b9m s VAL 61 Ca 0.19 -1.77 0.05 0.00 0.00 0.00 0.00 61.98 60.46 2b9m s VAL 61 Cb -0.11 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2b9m s VAL 61 CO 0.10 -0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 174.13 2b9m s TYR 62 N -2.56 2.54 0.00 5.22 2.02 0.24 -0.83 117.35 123.98 2b9m s TYR 62 Ca 0.09 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2b9m s TYR 62 Cb -0.02 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2b9m s TYR 62 CO 0.01 0.01 0.00 1.47 -1.57 0.00 0.00 175.55 175.47 2b9m n LEU 63 N 2.55 0.00 -3.59 -1.29 -0.00 -1.25 -1.97 117.00 111.46 2b9m n LEU 63 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.82 2b9m n LEU 63 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.88 2b9m n LEU 63 CO 0.25 -0.68 0.49 -0.75 -0.00 0.00 0.00 177.39 176.70 2b9m s LYS 64 N -2.35 0.48 0.00 1.47 2.20 -1.25 -2.67 119.74 117.62 2b9m s LYS 64 Ca 0.00 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2b9m s LYS 64 Cb 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 2b9m s LYS 64 CO 0.00 -0.13 0.00 2.48 -0.36 0.00 0.00 175.35 177.34 2b9m n TYR 65 N 4.51 0.00 0.00 4.03 0.18 -1.26 -2.79 117.16 121.83 2b9m n TYR 65 Ca -0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.63 2b9m n TYR 65 Cb 0.55 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 2b9m n TYR 65 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2b9m n GLY 66 N 0.00 0.88 3.51 -7.48 0.00 -1.26 -4.90 105.19 95.94 2b9m n GLY 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2b9m n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b9m s PRO 67 N -0.01 3.31 0.12 1.61 0.04 -1.26 -4.88 135.00 133.93 2b9m s PRO 67 Ca 0.00 -0.81 -0.31 0.00 0.04 0.00 0.00 61.00 59.92 2b9m s PRO 67 Cb 0.00 -4.55 -0.08 0.00 0.04 0.00 0.00 34.50 29.92 2b9m s PRO 67 CO 0.00 -2.01 1.35 0.50 0.04 0.00 0.00 177.00 176.87 2b9m s ARG 68 N 4.67 4.35 0.25 4.56 3.00 -1.26 -4.02 118.95 130.50 2b9m s ARG 68 Ca 0.33 2.02 0.02 0.00 -1.00 0.00 0.00 55.73 57.11 2b9m s ARG 68 Cb -0.08 -3.25 -0.01 0.00 0.00 0.00 0.00 34.95 31.60 2b9m s ARG 68 CO 0.05 -0.38 0.28 2.89 0.00 0.00 0.00 175.30 178.14 2b9m n ARG 69 N 3.72 0.41 -1.10 5.12 1.85 -1.26 -5.02 116.66 120.37 2b9m n ARG 69 Ca 0.10 -2.22 0.14 0.00 -1.00 0.00 0.00 57.85 54.87 2b9m n ARG 69 Cb 0.43 1.97 -0.07 0.00 -1.05 0.00 0.00 32.46 33.74 2b9m n ARG 69 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2b9m n GLN 70 N -0.44 -2.49 0.00 2.89 1.13 -1.26 -4.29 117.38 112.92 2b9m n GLN 70 Ca 0.03 1.98 0.00 0.00 -1.94 0.00 0.00 57.00 57.07 2b9m n GLN 70 Cb 0.43 -2.92 0.00 0.00 0.11 0.00 0.00 30.24 27.86 2b9m n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2b9m n GLY 71 N -3.82 -0.20 3.55 1.08 0.00 -1.26 -4.76 105.19 99.78 2b9m n GLY 71 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2b9m n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b9m s PRO 72 N -0.71 2.51 -0.02 1.61 0.04 -1.26 -4.48 135.00 132.69 2b9m s PRO 72 Ca 0.00 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 2b9m s PRO 72 Cb 0.00 -4.43 0.01 0.00 0.04 0.00 0.00 34.50 30.11 2b9m s PRO 72 CO 0.00 -2.84 0.04 -3.47 0.04 0.00 0.00 177.00 170.76 2b9m n ASP 73 N 13.52 -4.55 0.00 6.66 4.64 -1.26 -5.07 116.55 130.49 2b9m n ASP 73 Ca 0.25 0.90 0.00 0.00 -1.38 0.00 0.00 54.79 54.56 2b9m n ASP 73 Cb 0.53 -3.21 0.00 0.00 -1.04 0.00 0.00 41.12 37.39 2b9m n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2b9m n PRO 74 N 0.94 0.00 -1.92 -0.67 -0.04 -1.26 -4.76 135.00 127.29 2b9m n PRO 74 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2b9m n PRO 74 Cb 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 2b9m n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2b9m n ARG 75 N 0.00 -5.05 -0.65 0.54 1.74 -1.26 -4.65 116.66 107.32 2b9m n ARG 75 Ca 0.00 3.64 -0.32 0.00 -0.77 0.00 0.00 57.85 60.41 2b9m n ARG 75 Cb 0.00 -4.05 0.18 0.00 -1.02 0.00 0.00 32.46 27.57 2b9m n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2b9m n PRO 76 N 0.58 -1.55 0.00 5.56 -0.02 -1.26 -4.64 135.00 133.67 2b9m n PRO 76 Ca 0.00 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 2b9m n PRO 76 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2b9m n PRO 76 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2b9m n GLU 77 N -2.66 0.25 -3.67 -0.52 2.13 -1.26 -4.97 120.64 109.93 2b9m n GLU 77 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.76 2b9m n GLU 77 Cb 0.59 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.21 2b9m n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2b9m s GLN 78 N 0.39 0.41 -0.11 5.31 -1.52 -1.26 -4.82 119.66 118.06 2b9m s GLN 78 Ca 0.00 0.98 -0.08 0.00 -1.95 0.00 0.00 55.36 54.32 2b9m s GLN 78 Cb 0.00 0.20 -0.07 0.00 -0.22 0.00 0.00 33.01 32.92 2b9m s GLN 78 CO 0.00 -0.20 0.21 0.28 -0.25 0.00 0.00 175.29 175.33 2b9m h VAL 79 N 5.77 0.49 -0.28 1.09 2.07 -1.87 -3.37 116.25 120.15 2b9m h VAL 79 Ca -0.26 -1.37 -0.54 0.00 0.82 0.00 0.00 66.70 65.35 2b9m h VAL 79 Cb 1.15 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2b9m h VAL 79 CO 0.20 0.17 1.92 -0.38 0.02 0.00 0.00 177.57 179.49 2b9m n ILE 80 N -4.73 2.30 -0.06 4.57 -0.00 -1.26 -4.75 119.36 115.43 2b9m n ILE 80 Ca -0.03 -2.21 -0.09 0.00 -0.00 0.00 0.00 62.75 60.42 2b9m n ILE 80 Cb 0.13 -2.30 -0.09 0.00 -0.00 0.00 0.00 39.64 37.39 2b9m n ILE 80 CO 0.00 0.00 0.00 -0.74 -0.00 0.00 0.00 176.55 175.81 2b9m h HIS 81 N 8.33 -0.01 -3.08 1.39 2.76 -1.71 -3.44 115.15 119.39 2b9m h HIS 81 Ca 0.37 -0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 58.01 2b9m h HIS 81 Cb 0.79 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.35 2b9m h HIS 81 CO 1.28 0.64 -0.76 -1.58 -1.30 0.00 0.00 177.93 176.20 2b9m s HIS 82 N -2.07 0.84 -0.19 5.26 5.65 -1.26 -5.00 115.29 118.52 2b9m s HIS 82 Ca -0.13 -0.95 -0.04 0.00 0.25 0.00 0.00 55.06 54.19 2b9m s HIS 82 Cb -0.02 -1.08 -0.02 0.00 -1.18 0.00 0.00 32.58 30.28 2b9m s HIS 82 CO 0.46 -0.71 -0.02 -1.50 -0.65 0.00 0.00 174.74 172.32 2b9m s ILE 83 N 1.92 3.77 -0.17 0.89 2.07 -1.26 -3.35 121.20 125.07 2b9m s ILE 83 Ca 0.04 -0.38 -0.26 0.00 -1.41 0.00 0.00 60.65 58.65 2b9m s ILE 83 Cb -0.17 -2.69 0.07 0.00 0.13 0.00 0.00 42.46 39.79 2b9m s ILE 83 CO -0.19 0.44 0.66 -0.60 -1.91 0.00 0.00 174.94 173.34 2b9m s ARG 84 N 0.99 0.89 0.63 3.50 3.00 -1.08 -4.95 118.95 121.93 2b9m s ARG 84 Ca 0.01 0.64 -0.15 0.00 -1.00 0.00 0.00 55.73 55.23 2b9m s ARG 84 Cb -0.14 0.43 -0.02 0.00 0.00 0.00 0.00 34.95 35.21 2b9m s ARG 84 CO 0.01 -0.19 1.07 0.50 0.00 0.00 0.00 175.30 176.70 2b9m s ARG 85 N -0.29 3.11 -0.08 5.12 6.06 -1.26 -2.58 118.95 129.02 2b9m s ARG 85 Ca -0.05 1.20 0.11 0.00 -2.50 0.00 0.00 55.73 54.49 2b9m s ARG 85 Cb -0.03 -2.00 -0.16 0.00 0.06 0.00 0.00 34.95 32.82 2b9m s ARG 85 CO 0.04 -0.98 0.12 -0.89 -2.50 0.00 0.00 175.30 171.09 2b9m n ILE 86 N -2.35 0.50 -3.52 4.11 -0.00 -0.79 -4.85 119.36 112.47 2b9m n ILE 86 Ca 0.09 -0.41 -0.32 0.00 -0.00 0.00 0.00 62.75 62.11 2b9m n ILE 86 Cb 0.53 -0.38 -0.07 0.00 -0.00 0.00 0.00 39.64 39.71 2b9m n ILE 86 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2b9m n SER 87 N -2.24 4.15 -4.72 4.38 7.64 -1.16 -4.55 113.62 117.12 2b9m n SER 87 Ca -0.13 -3.30 -0.42 0.00 1.01 0.00 0.00 58.87 56.03 2b9m n SER 87 Cb 0.68 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 2b9m n SER 87 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2b9m s LYS 88 N -2.00 4.13 -0.23 1.43 1.02 -1.00 -4.68 119.74 118.40 2b9m s LYS 88 Ca 0.32 2.60 -0.10 0.00 0.02 0.00 0.00 55.97 58.81 2b9m s LYS 88 Cb 0.03 -3.12 -0.11 0.00 -0.52 0.00 0.00 37.83 34.11 2b9m s LYS 88 CO -0.06 -0.76 1.19 -2.30 -0.92 0.00 0.00 175.35 172.51 2b9m n PRO 89 N 4.12 0.02 0.00 -1.68 -0.02 -1.26 0.58 135.00 136.76 2b9m n PRO 89 Ca 0.16 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2b9m n PRO 89 Cb 0.35 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2b9m n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b9m n GLY 90 N 4.66 0.24 3.18 -1.23 0.00 -1.26 -5.04 105.19 105.73 2b9m n GLY 90 Ca 0.16 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 2b9m n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2b9m s ARG 91 N 0.00 2.67 -0.41 1.61 3.52 0.20 -5.06 118.95 121.48 2b9m s ARG 91 Ca 0.00 -2.21 -0.21 0.00 -0.13 0.00 0.00 55.73 53.19 2b9m s ARG 91 Cb 0.00 -3.91 0.02 0.00 -1.56 0.00 0.00 34.95 29.50 2b9m s ARG 91 CO 0.00 -1.19 0.64 1.03 -0.81 0.00 0.00 175.30 174.97 2b9m s ARG 92 N 0.54 3.41 -0.41 5.12 3.00 -1.26 -2.38 118.95 126.97 2b9m s ARG 92 Ca 0.13 -0.23 -0.23 0.00 0.00 0.00 0.00 55.73 55.40 2b9m s ARG 92 Cb -0.21 -3.90 0.02 0.00 0.00 0.00 0.00 34.95 30.86 2b9m s ARG 92 CO -0.04 -0.92 0.76 0.08 0.00 0.00 0.00 175.30 175.19 2b9m s VAL 93 N 2.78 4.71 -0.35 3.52 1.01 -1.26 -5.01 120.40 125.80 2b9m s VAL 93 Ca 0.23 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 2b9m s VAL 93 Cb -0.14 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.00 2b9m s VAL 93 CO 0.18 -0.59 0.15 -0.31 0.00 0.00 0.00 175.10 174.53 2b9m s TYR 94 N 3.15 3.23 0.20 5.22 1.51 -1.26 -0.12 117.35 129.28 2b9m s TYR 94 Ca 0.29 -1.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.32 2b9m s TYR 94 Cb -0.13 -2.35 -0.05 0.00 -0.11 0.00 0.00 41.96 39.32 2b9m s TYR 94 CO 0.20 -0.64 -0.01 0.14 -1.11 0.00 0.00 175.55 174.13 2b9m s VAL 95 N 1.51 0.88 0.00 0.71 -7.23 0.53 -4.93 120.40 111.87 2b9m s VAL 95 Ca 0.01 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2b9m s VAL 95 Cb -0.19 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2b9m s VAL 95 CO 0.05 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 2b9m n GLY 96 N -0.32 4.76 0.00 2.32 0.00 -1.26 0.04 105.19 110.73 2b9m n GLY 96 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2b9m n GLY 96 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2b9m n VAL 97 N 0.00 0.00 -0.56 1.61 3.14 -1.26 -2.14 118.33 119.12 2b9m n VAL 97 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 2b9m n VAL 97 Cb 0.00 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.04 2b9m n VAL 97 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2b9m n LYS 98 N 0.00 3.18 0.00 1.45 0.00 -1.26 -4.47 118.16 117.06 2b9m n LYS 98 Ca 0.00 -2.57 0.00 0.00 -0.00 0.00 0.00 58.31 55.74 2b9m n LYS 98 Cb 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 35.03 33.39 2b9m n LYS 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2b9m n GLU 99 N 0.46 0.63 -2.58 -1.58 1.02 -0.91 -4.73 120.64 112.95 2b9m n GLU 99 Ca 0.19 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 2b9m n GLU 99 Cb 0.72 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.80 2b9m n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2b9m s ILE 100 N -0.92 4.44 -1.30 -3.67 1.09 -1.26 -4.93 121.20 114.64 2b9m s ILE 100 Ca 0.00 1.78 0.28 0.00 -1.10 0.00 0.00 60.65 61.61 2b9m s ILE 100 Cb 0.00 -4.14 0.29 0.00 -1.06 0.00 0.00 42.46 37.55 2b9m s ILE 100 CO 0.00 0.15 1.78 -0.81 -0.10 0.00 0.00 174.94 175.96 2b9m n PRO 101 N 3.78 0.32 -3.04 2.79 -0.05 -1.26 -4.99 135.00 132.55 2b9m n PRO 101 Ca 0.07 -0.11 -0.12 0.00 -0.05 0.00 0.00 63.50 63.29 2b9m n PRO 101 Cb 0.49 -1.50 0.01 0.00 -0.05 0.00 0.00 33.50 32.45 2b9m n PRO 101 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2b9m n ARG 102 N -1.24 -2.09 -2.04 0.54 1.74 -1.26 -4.90 116.66 107.41 2b9m n ARG 102 Ca 0.10 1.84 -0.41 0.00 -0.77 0.00 0.00 57.85 58.61 2b9m n ARG 102 Cb 0.31 -4.95 -0.02 0.00 -1.02 0.00 0.00 32.46 26.78 2b9m n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2b9m s VAL 103 N -2.51 2.65 -1.51 1.55 1.01 -1.23 -2.62 120.40 117.74 2b9m s VAL 103 Ca 0.22 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 2b9m s VAL 103 Cb -0.05 -3.37 0.09 0.00 0.00 0.00 0.00 36.38 33.04 2b9m s VAL 103 CO 0.79 0.11 0.83 0.54 0.00 0.00 0.00 175.10 177.38 2b9m n ARG 104 N 1.62 -4.76 -3.91 2.72 5.12 -1.26 -0.06 116.66 116.13 2b9m n ARG 104 Ca 0.04 0.57 -0.29 0.00 -1.93 0.00 0.00 57.85 56.24 2b9m n ARG 104 Cb 0.41 -5.40 -0.00 0.00 -1.16 0.00 0.00 32.46 26.30 2b9m n ARG 104 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2b9m n ARG 105 N -4.40 -0.60 0.00 5.56 3.00 -1.08 -2.60 116.66 116.55 2b9m n ARG 105 Ca 0.03 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2b9m n ARG 105 Cb 0.53 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.49 2b9m n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2b9m n GLY 106 N -1.78 1.16 0.00 5.14 0.00 -1.23 -4.97 105.19 103.50 2b9m n GLY 106 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2b9m n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2b9m n LEU 107 N 0.00 0.55 -4.72 0.99 -0.00 -1.07 -5.05 117.00 107.69 2b9m n LEU 107 Ca 0.00 -0.66 -0.32 0.00 -0.00 0.00 0.00 56.01 55.02 2b9m n LEU 107 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2b9m n LEU 107 CO 0.00 0.14 -0.29 -0.83 -0.00 0.00 0.00 177.39 176.40 2b9m s GLY 108 N -0.24 1.94 0.04 1.47 0.00 0.91 -4.90 107.32 106.55 2b9m s GLY 108 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 2b9m s GLY 108 CO 0.00 -0.84 0.22 -0.26 0.00 0.00 0.00 173.10 172.22 2b9m s ILE 109 N -1.17 5.38 -0.05 0.90 -4.36 0.65 -3.56 121.20 118.99 2b9m s ILE 109 Ca 0.22 -0.25 0.07 0.00 -0.26 0.00 0.00 60.65 60.42 2b9m s ILE 109 Cb -0.12 -3.60 -0.01 0.00 1.25 0.00 0.00 42.46 39.98 2b9m s ILE 109 CO 0.13 0.20 -0.25 0.00 0.24 0.00 0.00 174.94 175.26 2b9m s ALA 110 N -1.45 2.17 -0.13 2.27 0.00 -1.26 -2.29 121.76 121.06 2b9m s ALA 110 Ca 0.33 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2b9m s ALA 110 Cb -0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2b9m s ALA 110 CO 0.24 0.44 -0.06 0.42 0.00 0.00 0.00 175.76 176.80 2b9m s ILE 111 N -0.26 3.70 -0.01 0.00 1.01 0.37 -2.97 121.20 123.04 2b9m s ILE 111 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2b9m s ILE 111 Cb -0.13 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.77 2b9m s ILE 111 CO 0.03 0.52 -0.01 -0.22 0.00 0.00 0.00 174.94 175.26 2b9m s LEU 112 N 0.11 1.57 -0.68 2.97 0.20 -0.09 -1.54 118.68 121.22 2b9m s LEU 112 Ca -0.02 -0.02 -0.14 0.00 0.69 0.00 0.00 54.13 54.63 2b9m s LEU 112 Cb -0.14 -0.14 0.17 0.00 -0.43 0.00 0.00 46.19 45.65 2b9m s LEU 112 CO 0.03 -0.04 0.63 -0.55 -0.29 0.00 0.00 176.35 176.13 2b9m s SER 113 N 0.49 6.44 0.08 3.68 0.15 -1.04 -0.46 113.70 123.03 2b9m s SER 113 Ca -0.05 -2.26 0.00 0.00 0.70 0.00 0.00 55.95 54.34 2b9m s SER 113 Cb -0.07 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2b9m s SER 113 CO -0.01 -0.70 0.00 0.35 1.20 0.00 0.00 173.24 174.08 2b9m n THR 114 N 4.57 0.00 1.03 6.45 -2.24 -0.88 -3.33 114.28 119.87 2b9m n THR 114 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2b9m n THR 114 Cb 0.43 -1.10 0.52 0.00 -2.10 0.00 0.00 70.33 68.09 2b9m n THR 114 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2b9m n SER 115 N -2.37 0.00 -1.71 3.42 2.88 -1.26 -2.83 113.62 111.75 2b9m n SER 115 Ca 0.00 -0.19 -0.17 0.00 -1.33 0.00 0.00 58.87 57.18 2b9m n SER 115 Cb 0.00 -0.20 0.14 0.00 -0.75 0.00 0.00 64.21 63.40 2b9m n SER 115 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2b9m n LYS 116 N -1.20 2.43 0.00 -1.46 4.01 -1.26 -5.07 118.16 115.61 2b9m n LYS 116 Ca 0.11 -3.40 0.00 0.00 -0.51 0.00 0.00 58.31 54.51 2b9m n LYS 116 Cb 0.13 -2.05 0.00 0.00 -0.51 0.00 0.00 35.03 32.60 2b9m n LYS 116 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2b9m n GLY 117 N -1.00 0.98 3.66 0.72 0.00 -1.13 -4.72 105.19 103.69 2b9m n GLY 117 Ca 0.45 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2b9m n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b9m s VAL 118 N 0.00 5.26 -0.02 1.61 1.01 -1.26 -2.08 120.40 124.92 2b9m s VAL 118 Ca 0.00 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2b9m s VAL 118 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2b9m s VAL 118 CO 0.00 0.28 -0.19 -0.76 0.00 0.00 0.00 175.10 174.43 2b9m s LEU 119 N 1.29 2.03 0.39 3.92 2.01 0.39 -4.99 118.68 123.72 2b9m s LEU 119 Ca 0.14 -0.35 0.08 0.00 0.01 0.00 0.00 54.13 54.01 2b9m s LEU 119 Cb -0.14 -1.00 -0.07 0.00 0.01 0.00 0.00 46.19 44.99 2b9m s LEU 119 CO 0.07 0.23 -0.01 0.42 1.01 0.00 0.00 176.35 178.07 2b9m s THR 120 N -0.42 2.11 0.00 5.49 -4.23 -1.26 -0.92 115.64 116.41 2b9m s THR 120 Ca 0.07 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2b9m s THR 120 Cb -0.08 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2b9m s THR 120 CO -0.01 -0.07 0.00 0.47 -0.54 0.00 0.00 174.62 174.48 2b9m n ASP 121 N -0.93 0.00 0.10 3.99 9.92 -1.16 -1.97 116.55 126.51 2b9m n ASP 121 Ca -0.05 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.98 2b9m n ASP 121 Cb 0.66 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.98 2b9m n ASP 121 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2b9m h ARG 122 N 0.00 0.44 0.00 -1.24 -0.00 -1.96 -2.26 114.38 109.36 2b9m h ARG 122 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 59.98 59.23 2b9m h ARG 122 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 2b9m h ARG 122 CO 0.00 1.36 0.00 -0.85 -0.00 0.00 0.00 179.97 180.48 2b9m n GLU 123 N -3.84 0.06 -0.09 0.08 0.00 -0.83 0.09 120.64 116.11 2b9m n GLU 123 Ca -0.17 0.28 -0.07 0.00 0.00 0.00 0.00 57.16 57.20 2b9m n GLU 123 Cb 1.01 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.78 2b9m n GLU 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2b9m n ALA 124 N -1.39 1.69 -0.05 -1.84 0.00 -1.06 -3.82 120.51 114.04 2b9m n ALA 124 Ca 0.03 -1.21 -0.16 0.00 0.00 0.00 0.00 53.44 52.10 2b9m n ALA 124 Cb 0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 2b9m n ALA 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2b9m h ARG 125 N 0.00 0.81 0.08 0.00 2.43 0.28 -2.33 114.38 115.66 2b9m h ARG 125 Ca -0.46 -0.58 -0.28 0.00 -0.81 0.00 0.00 59.98 57.84 2b9m h ARG 125 Cb 2.06 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.69 2b9m h ARG 125 CO 0.03 1.20 -1.45 1.57 -1.51 0.00 0.00 179.97 179.81 2b9m h LYS 126 N 0.56 0.17 0.01 0.20 5.09 -0.78 -3.37 116.57 118.45 2b9m h LYS 126 Ca -0.02 -0.28 -0.17 0.00 0.09 0.00 0.00 60.65 60.27 2b9m h LYS 126 Cb 1.25 0.11 0.01 0.00 0.10 0.00 0.00 32.23 33.70 2b9m h LYS 126 CO 0.14 1.01 -0.66 1.25 -2.09 0.00 0.00 179.45 179.09 2b9m h LEU 127 N 0.05 0.56 -2.88 7.07 7.12 -1.67 -3.50 115.31 122.06 2b9m h LEU 127 Ca -0.20 -0.77 0.00 0.00 0.13 0.00 0.00 57.88 57.03 2b9m h LEU 127 Cb 1.97 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.92 2b9m h LEU 127 CO 0.14 1.27 -0.10 0.61 -0.13 0.00 0.00 178.44 180.23 2b9m n GLY 128 N 1.12 -1.46 3.69 3.75 0.00 -0.87 -5.08 105.19 106.34 2b9m n GLY 128 Ca -0.11 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 2b9m n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9m s VAL 129 N -0.95 0.00 0.11 1.61 0.11 -1.25 -4.84 120.40 115.19 2b9m s VAL 129 Ca 0.03 -0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2b9m s VAL 129 Cb -0.01 -1.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 2b9m s VAL 129 CO 0.12 0.00 0.35 0.61 -3.33 0.00 0.00 175.10 172.84 2b9m n GLY 130 N -0.42 1.33 0.00 6.54 0.00 -1.26 -4.08 105.19 107.30 2b9m n GLY 130 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2b9m n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b9m n GLY 131 N -0.24 -0.73 3.72 -0.02 0.00 0.11 -4.07 105.19 103.96 2b9m n GLY 131 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2b9m n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b9m s GLU 132 N -0.66 4.39 -0.62 1.61 2.12 -1.21 -0.34 118.70 123.98 2b9m s GLU 132 Ca 0.00 1.93 -0.27 0.00 0.36 0.00 0.00 54.97 56.99 2b9m s GLU 132 Cb 0.00 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 2b9m s GLU 132 CO 0.00 -0.32 1.62 -0.51 -0.54 0.00 0.00 175.26 175.51 2b9m s LEU 133 N 0.86 3.29 0.00 2.70 1.43 0.83 -2.51 118.68 125.27 2b9m s LEU 133 Ca 0.60 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2b9m s LEU 133 Cb -0.33 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2b9m s LEU 133 CO 0.31 -2.08 0.00 -0.38 0.23 0.00 0.00 176.35 174.44 2b9m n ILE 134 N 6.94 0.00 -4.38 -0.59 5.41 -0.59 -2.99 119.36 123.15 2b9m n ILE 134 Ca 0.14 0.33 -0.21 0.00 1.00 0.00 0.00 62.75 64.02 2b9m n ILE 134 Cb 0.50 -1.09 -0.09 0.00 -0.71 0.00 0.00 39.64 38.26 2b9m n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2b9m s GLU 136 N -3.78 0.65 0.11 0.00 1.03 -1.07 -0.47 118.70 115.16 2b9m s GLU 136 Ca 0.33 0.28 0.02 0.00 0.03 0.00 0.00 54.97 55.63 2b9m s GLU 136 Cb 0.05 0.30 -0.04 0.00 -0.80 0.00 0.00 34.13 33.64 2b9m s GLU 136 CO 0.17 -0.14 -0.06 0.08 -1.33 0.00 0.00 175.26 173.97 2b9m s VAL 137 N -0.52 0.77 0.00 1.83 1.01 -0.97 -2.64 120.40 119.88 2b9m s VAL 137 Ca -0.06 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 59.95 2b9m s VAL 137 Cb -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2b9m s VAL 137 CO 0.03 -0.81 0.00 -2.67 0.00 0.00 0.00 175.10 171.65