#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hms h ASP 2 N 0.00 0.65 0.49 6.55 3.32 -2.03 -1.82 116.42 123.57 1hms h ASP 2 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1hms h ASP 2 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1hms h ASP 2 CO 0.00 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 1hms h ALA 3 N 1.62 1.00 0.00 3.45 0.00 -2.03 -2.22 119.26 121.08 1hms h ALA 3 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1hms h ALA 3 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hms h ALA 3 CO -0.04 0.00 -0.31 0.74 0.00 0.00 0.00 179.25 179.64 1hms h PHE 4 N 0.00 0.00 -3.93 0.00 0.04 -1.75 -3.47 116.94 107.82 1hms h PHE 4 Ca 0.00 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.26 1hms h PHE 4 Cb 0.24 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.45 1hms h PHE 4 CO 0.00 0.00 0.52 -0.51 -0.60 0.00 0.00 178.31 177.72 1hms s LEU 5 N -4.82 4.22 0.00 1.54 1.43 -0.84 -4.71 118.68 115.51 1hms s LEU 5 Ca 0.07 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1hms s LEU 5 Cb 0.11 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1hms s LEU 5 CO 0.67 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1hms n GLY 6 N 0.67 0.86 3.37 -3.19 0.00 -0.56 -4.98 105.19 101.36 1hms n GLY 6 Ca 0.04 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1hms n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hms s THR 7 N -2.08 3.43 0.03 2.61 2.01 -1.26 -1.09 115.64 119.30 1hms s THR 7 Ca 0.00 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1hms s THR 7 Cb 0.00 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1hms s THR 7 CO 0.00 0.46 -0.18 0.26 -0.69 0.00 0.00 174.62 174.48 1hms s TRP 8 N 0.95 1.55 -0.02 4.92 0.52 0.15 -0.45 118.94 126.55 1hms s TRP 8 Ca -0.01 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.82 1hms s TRP 8 Cb -0.15 -0.93 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 1hms s TRP 8 CO 0.01 0.05 -0.20 0.15 0.02 0.00 0.00 176.95 176.98 1hms s LYS 9 N -1.03 1.68 0.24 4.98 1.02 -0.15 -0.92 119.74 125.55 1hms s LYS 9 Ca 0.05 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 1hms s LYS 9 Cb -0.08 -1.59 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1hms s LYS 9 CO 0.01 0.40 1.29 -1.17 -0.92 0.00 0.00 175.35 174.97 1hms s LEU 10 N -0.38 4.43 0.00 3.17 2.96 -0.92 -1.13 118.68 126.81 1hms s LEU 10 Ca 0.05 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1hms s LEU 10 Cb -0.09 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1hms s LEU 10 CO -0.00 -0.50 0.00 1.33 -1.32 0.00 0.00 176.35 175.86 1hms n VAL 11 N 2.09 0.00 -3.62 1.68 0.24 -0.05 -4.87 118.33 113.81 1hms n VAL 11 Ca 0.04 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1hms n VAL 11 Cb 0.43 0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 1hms n VAL 11 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hms s ASP 12 N -0.80 -0.36 -0.20 -1.34 2.15 -1.09 -5.00 116.67 110.03 1hms s ASP 12 Ca 0.00 0.06 -0.12 0.00 0.43 0.00 0.00 52.55 52.92 1hms s ASP 12 Cb 0.00 0.46 0.06 0.00 -0.30 0.00 0.00 42.92 43.15 1hms s ASP 12 CO 0.00 -0.71 0.50 -0.55 -0.17 0.00 0.00 175.17 174.24 1hms s SER 13 N -2.06 -0.63 -0.08 -0.34 0.15 -1.26 -1.36 113.70 108.11 1hms s SER 13 Ca -0.05 1.07 0.02 0.00 0.70 0.00 0.00 55.95 57.70 1hms s SER 13 Cb -0.01 0.97 0.01 0.00 -1.71 0.00 0.00 66.02 65.29 1hms s SER 13 CO -0.03 -0.20 -0.14 -0.54 1.20 0.00 0.00 173.24 173.53 1hms s LYS 14 N 1.29 1.94 -1.18 5.44 1.02 -0.12 -4.84 119.74 123.28 1hms s LYS 14 Ca -0.08 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 1hms s LYS 14 Cb -0.07 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 1hms s LYS 14 CO -0.13 0.01 0.25 0.09 -0.92 0.00 0.00 175.35 174.65 1hms n ASN 15 N 3.94 -4.69 0.07 2.83 3.02 -1.26 -1.85 115.26 117.32 1hms n ASN 15 Ca -0.21 -0.12 -0.03 0.00 -0.03 0.00 0.00 54.58 54.19 1hms n ASN 15 Cb 0.52 -3.67 0.22 0.00 -0.61 0.00 0.00 39.78 36.23 1hms n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1hms h PHE 16 N -0.56 0.38 -0.77 3.10 3.57 -1.90 -2.67 116.94 118.08 1hms h PHE 16 Ca -0.37 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1hms h PHE 16 Cb 1.26 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1hms h PHE 16 CO 0.38 0.65 0.30 0.22 -2.23 0.00 0.00 178.31 177.63 1hms h ASP 17 N 0.28 1.07 -0.64 0.41 3.58 -1.96 -0.75 116.42 118.41 1hms h ASP 17 Ca 0.03 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 1hms h ASP 17 Cb 0.76 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1hms h ASP 17 CO 0.06 0.96 0.19 0.44 -2.88 0.00 0.00 179.24 178.01 1hms h ASP 18 N 1.12 0.93 -0.24 2.28 3.32 -1.89 0.83 116.42 122.78 1hms h ASP 18 Ca 0.26 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1hms h ASP 18 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1hms h ASP 18 CO -0.02 0.90 0.12 0.22 -1.72 0.00 0.00 179.24 178.73 1hms h TYR 19 N 0.92 0.35 -0.55 4.55 3.20 -1.32 -1.53 116.97 122.59 1hms h TYR 19 Ca 0.20 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1hms h TYR 19 Cb 0.30 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1hms h TYR 19 CO 0.02 0.33 0.27 0.52 -1.64 0.00 0.00 178.16 177.67 1hms h MET 20 N 0.26 0.78 -0.85 1.82 2.86 -0.88 -2.38 114.93 116.54 1hms h MET 20 Ca 0.08 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1hms h MET 20 Cb 0.12 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1hms h MET 20 CO -0.01 0.63 0.48 0.87 1.06 0.00 0.00 176.91 179.94 1hms h LYS 21 N 0.73 1.17 -0.30 1.72 1.57 -0.63 -1.61 116.57 119.22 1hms h LYS 21 Ca 0.19 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1hms h LYS 21 Cb 0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1hms h LYS 21 CO -0.03 0.84 0.20 1.03 -0.57 0.00 0.00 179.45 180.93 1hms h SER 22 N 1.18 0.33 0.61 0.86 0.87 -0.80 -1.92 113.55 114.69 1hms h SER 22 Ca 0.30 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1hms h SER 22 Cb -0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1hms h SER 22 CO -0.05 0.23 -0.24 0.18 -0.53 0.00 0.00 176.83 176.43 1hms n LEU 23 N -4.49 0.36 0.00 2.23 4.77 -0.85 -4.92 117.00 114.10 1hms n LEU 23 Ca 0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1hms n LEU 23 Cb 0.09 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1hms n LEU 23 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1hms n GLY 24 N 1.44 0.87 3.75 -0.72 0.00 -0.72 -5.04 105.19 104.78 1hms n GLY 24 Ca 0.08 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1hms n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hms s VAL 25 N -2.00 3.09 0.71 1.61 1.01 -0.67 -4.99 120.40 119.17 1hms s VAL 25 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 1hms s VAL 25 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1hms s VAL 25 CO 0.00 0.21 1.08 -0.83 0.00 0.00 0.00 175.10 175.56 1hms s GLY 26 N -0.26 1.63 0.27 4.51 0.00 -1.26 -4.61 107.32 107.61 1hms s GLY 26 Ca 0.51 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 1hms s GLY 26 CO 0.44 0.12 1.92 0.27 0.00 0.00 0.00 173.10 175.85 1hms h PHE 27 N -0.70 1.20 -0.36 1.90 -5.15 -1.99 -1.66 116.94 110.17 1hms h PHE 27 Ca -0.45 0.03 -0.11 0.00 -0.20 0.00 0.00 57.97 57.23 1hms h PHE 27 Cb 1.24 -0.40 -0.01 0.00 0.22 0.00 0.00 35.95 37.00 1hms h PHE 27 CO 0.53 0.70 -0.24 0.00 -2.00 0.00 0.00 178.31 177.30 1hms h ALA 28 N 1.43 0.90 -0.07 12.09 0.00 -2.01 -1.31 119.26 130.29 1hms h ALA 28 Ca 0.38 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1hms h ALA 28 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hms h ALA 28 CO -0.11 0.62 -0.65 1.15 0.00 0.00 0.00 179.25 180.26 1hms h THR 29 N 0.63 1.39 -0.30 0.00 2.02 -1.83 -2.89 112.91 111.94 1hms h THR 29 Ca 0.09 -2.06 -0.06 0.00 0.77 0.00 0.00 66.41 65.14 1hms h THR 29 Cb 0.73 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1hms h THR 29 CO 0.06 0.61 -0.08 0.03 0.37 0.00 0.00 175.52 176.51 1hms h ARG 30 N 0.20 0.48 0.32 6.66 3.08 -0.90 -1.32 114.38 122.90 1hms h ARG 30 Ca -0.01 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1hms h ARG 30 Cb 1.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1hms h ARG 30 CO 0.10 0.57 -0.24 1.96 -1.07 0.00 0.00 179.97 181.30 1hms h GLN 31 N 0.45 -0.54 -0.49 0.04 4.20 -1.04 -1.94 115.11 115.79 1hms h GLN 31 Ca 0.09 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1hms h GLN 31 Cb 0.42 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1hms h GLN 31 CO 0.02 -0.36 0.20 0.28 -0.67 0.00 0.00 178.83 178.31 1hms h VAL 32 N -0.56 1.21 -0.40 -0.54 2.07 -1.39 -2.86 116.25 113.78 1hms h VAL 32 Ca -0.02 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1hms h VAL 32 Cb 0.48 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1hms h VAL 32 CO -0.00 0.24 0.28 0.00 0.02 0.00 0.00 177.57 178.10 1hms h ALA 33 N 1.05 2.11 0.00 1.67 0.00 -1.17 -2.25 119.26 120.68 1hms h ALA 33 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hms h ALA 33 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1hms h ALA 33 CO -0.01 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 179.69 1hms h SER 34 N 0.20 0.00 -0.31 0.00 4.64 -1.11 -2.84 113.55 114.13 1hms h SER 34 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1hms h SER 34 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1hms h SER 34 CO -0.03 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.16 1hms n MET 35 N -2.89 2.51 -3.63 4.77 2.81 -0.86 -5.00 117.12 114.82 1hms n MET 35 Ca 0.01 -1.95 -0.37 0.00 -1.81 0.00 0.00 57.70 53.58 1hms n MET 35 Cb 0.32 -1.28 -0.06 0.00 -0.71 0.00 0.00 33.22 31.49 1hms n MET 35 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1hms s THR 36 N -1.00 5.27 -0.43 2.03 2.01 -1.08 -5.07 115.64 117.38 1hms s THR 36 Ca 0.23 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1hms s THR 36 Cb 0.12 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 69.17 1hms s THR 36 CO 0.17 0.53 0.18 -0.54 -0.69 0.00 0.00 174.62 174.26 1hms s LYS 37 N -0.53 1.81 0.81 4.92 1.02 -1.26 -5.01 119.74 121.50 1hms s LYS 37 Ca 0.18 -2.17 -0.11 0.00 0.02 0.00 0.00 55.97 53.89 1hms s LYS 37 Cb -0.14 -3.35 0.08 0.00 -0.52 0.00 0.00 37.83 33.90 1hms s LYS 37 CO 0.07 -1.03 1.09 -2.14 -0.92 0.00 0.00 175.35 172.42 1hms s PRO 38 N 0.46 1.97 -0.18 -1.68 0.02 -1.26 -4.75 135.00 129.58 1hms s PRO 38 Ca 0.13 0.80 -0.02 0.00 0.02 0.00 0.00 61.00 61.93 1hms s PRO 38 Cb -0.22 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 1hms s PRO 38 CO -0.04 -1.74 -0.08 0.99 -0.33 0.00 0.00 177.00 175.79 1hms s THR 39 N -3.05 3.22 -0.14 0.99 2.01 -0.29 -2.17 115.64 116.21 1hms s THR 39 Ca 0.61 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1hms s THR 39 Cb -0.16 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1hms s THR 39 CO 0.55 0.47 -0.05 -0.89 -0.69 0.00 0.00 174.62 174.01 1hms s THR 40 N 0.99 3.78 -0.16 -0.82 2.01 -0.10 -0.36 115.64 120.96 1hms s THR 40 Ca -0.01 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1hms s THR 40 Cb -0.15 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1hms s THR 40 CO -0.00 0.51 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.61 1hms s ILE 41 N 0.24 2.21 -0.15 1.82 1.01 0.11 -0.67 121.20 125.77 1hms s ILE 41 Ca -0.04 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1hms s ILE 41 Cb -0.14 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1hms s ILE 41 CO 0.03 0.53 -0.17 -0.63 0.00 0.00 0.00 174.94 174.71 1hms s ILE 42 N 1.05 2.51 0.13 2.92 1.01 -0.25 -0.57 121.20 128.01 1hms s ILE 42 Ca -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1hms s ILE 42 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1hms s ILE 42 CO -0.06 0.52 -0.03 -1.61 0.00 0.00 0.00 174.94 173.76 1hms s GLU 43 N 0.79 0.94 0.01 2.79 2.02 -0.52 -1.50 118.70 123.23 1hms s GLU 43 Ca -0.06 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.52 1hms s GLU 43 Cb -0.15 -0.18 -0.01 0.00 0.10 0.00 0.00 34.13 33.89 1hms s GLU 43 CO -0.00 -0.08 -0.05 -1.59 0.02 0.00 0.00 175.26 173.56 1hms s LYS 44 N -3.89 0.35 -0.36 1.61 -2.85 -1.26 -1.22 119.74 112.13 1hms s LYS 44 Ca 0.17 -0.27 -0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1hms s LYS 44 Cb 0.06 -0.28 0.12 0.00 -2.06 0.00 0.00 37.83 35.67 1hms s LYS 44 CO -0.01 0.07 0.17 1.21 0.10 0.00 0.00 175.35 176.89 1hms s ASN 45 N -0.42 3.61 1.69 0.03 3.04 -0.17 -5.01 114.94 117.71 1hms s ASN 45 Ca -0.01 -2.02 0.00 0.00 0.04 0.00 0.00 52.86 50.86 1hms s ASN 45 Cb -0.03 -0.74 0.00 0.00 -1.54 0.00 0.00 41.25 38.93 1hms s ASN 45 CO -0.00 -0.35 0.00 0.61 -3.04 0.00 0.00 177.10 174.32 1hms n GLY 46 N 4.32 2.94 1.07 1.21 0.00 -1.26 -1.77 105.19 111.69 1hms n GLY 46 Ca 0.04 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1hms n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hms n ASP 47 N 6.65 3.12 -4.50 1.61 5.68 -1.26 -4.85 116.55 122.99 1hms n ASP 47 Ca 0.00 -2.18 -0.36 0.00 -0.50 0.00 0.00 54.79 51.75 1hms n ASP 47 Cb 0.00 -0.42 -0.12 0.00 -1.14 0.00 0.00 41.12 39.44 1hms n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1hms s ILE 48 N -1.58 4.38 -0.02 2.12 -1.09 -0.73 -4.41 121.20 119.87 1hms s ILE 48 Ca 0.34 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.55 1hms s ILE 48 Cb 0.20 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1hms s ILE 48 CO 0.19 0.39 0.21 -0.76 -1.23 0.00 0.00 174.94 173.75 1hms s LEU 49 N 1.12 4.37 -0.11 2.97 1.43 0.26 -1.00 118.68 127.72 1hms s LEU 49 Ca 0.04 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1hms s LEU 49 Cb -0.14 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.54 1hms s LEU 49 CO 0.03 0.28 -0.14 -0.89 0.23 0.00 0.00 176.35 175.86 1hms s THR 50 N -1.26 1.46 -0.23 5.49 2.01 -0.36 -0.63 115.64 122.11 1hms s THR 50 Ca 0.25 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1hms s THR 50 Cb -0.13 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.07 1hms s THR 50 CO 0.15 0.43 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.18 1hms s LEU 51 N 1.09 3.00 -0.13 4.42 0.20 -0.36 -1.44 118.68 125.46 1hms s LEU 51 Ca -0.05 -1.00 -0.02 0.00 0.69 0.00 0.00 54.13 53.76 1hms s LEU 51 Cb -0.14 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1hms s LEU 51 CO -0.03 -0.12 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.30 1hms s LYS 52 N 1.24 3.38 -0.18 1.98 1.02 0.27 -1.88 119.74 125.57 1hms s LYS 52 Ca -0.02 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1hms s LYS 52 Cb -0.17 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1hms s LYS 52 CO -0.07 0.32 -0.19 0.99 -0.92 0.00 0.00 175.35 175.49 1hms s THR 53 N 0.11 1.97 0.01 2.17 2.01 -0.09 -0.71 115.64 121.11 1hms s THR 53 Ca -0.03 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1hms s THR 53 Cb -0.14 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1hms s THR 53 CO 0.03 0.51 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.31 1hms s HIS 54 N 1.32 2.61 0.40 4.92 3.76 0.51 -1.08 115.29 127.73 1hms s HIS 54 Ca 0.05 -0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 1hms s HIS 54 Cb -0.13 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.09 1hms s HIS 54 CO -0.12 0.22 0.80 -1.54 -0.85 0.00 0.00 174.74 173.24 1hms s SER 55 N -1.15 0.03 0.06 1.40 1.04 -1.14 -1.14 113.70 112.79 1hms s SER 55 Ca 0.13 -1.20 0.26 0.00 0.48 0.00 0.00 55.95 55.63 1hms s SER 55 Cb -0.11 0.87 1.06 0.00 0.10 0.00 0.00 66.02 67.94 1hms s SER 55 CO 0.03 -1.73 1.83 0.35 0.98 0.00 0.00 173.24 174.71 1hms n THR 56 N -0.54 0.28 -0.09 2.02 -2.24 -1.26 -4.17 114.28 108.28 1hms n THR 56 Ca -0.09 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1hms n THR 56 Cb 0.60 -0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1hms n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1hms n PHE 57 N -1.70 0.00 -4.16 4.78 7.35 -1.26 -5.05 117.46 117.42 1hms n PHE 57 Ca 0.06 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.64 1hms n PHE 57 Cb 0.34 -0.56 -0.10 0.00 0.35 0.00 0.00 39.48 39.51 1hms n PHE 57 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1hms s LYS 58 N -2.75 0.82 -0.02 -4.13 1.02 -1.26 -5.16 119.74 108.27 1hms s LYS 58 Ca -0.28 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.47 1hms s LYS 58 Cb 0.06 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 1hms s LYS 58 CO 0.40 0.01 -0.08 -0.80 -0.92 0.00 0.00 175.35 173.96 1hms s ASN 59 N -2.83 1.09 0.15 2.83 0.01 -1.26 -2.89 114.94 112.04 1hms s ASN 59 Ca 0.09 -0.17 0.09 0.00 -0.71 0.00 0.00 52.86 52.16 1hms s ASN 59 Cb 0.03 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 1hms s ASN 59 CO -0.03 0.07 -0.19 0.42 -1.51 0.00 0.00 177.10 175.86 1hms s THR 60 N 0.10 1.81 -0.12 1.60 -4.23 -0.24 -5.00 115.64 109.56 1hms s THR 60 Ca -0.01 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1hms s THR 60 Cb -0.07 -1.80 0.05 0.00 1.34 0.00 0.00 72.50 72.02 1hms s THR 60 CO 0.00 -0.26 0.28 -0.70 -0.54 0.00 0.00 174.62 173.40 1hms s GLU 61 N -2.62 0.25 0.06 3.99 2.12 -1.26 -0.91 118.70 120.32 1hms s GLU 61 Ca 0.14 0.57 0.07 0.00 0.36 0.00 0.00 54.97 56.11 1hms s GLU 61 Cb -0.07 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 1hms s GLU 61 CO 0.06 -0.16 -0.18 0.96 -0.54 0.00 0.00 175.26 175.40 1hms s ILE 62 N 1.23 1.48 -0.05 -3.70 -4.36 -0.79 -5.01 121.20 110.00 1hms s ILE 62 Ca -0.09 -1.23 0.05 0.00 -0.26 0.00 0.00 60.65 59.12 1hms s ILE 62 Cb -0.10 -1.32 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 1hms s ILE 62 CO -0.09 0.06 -0.19 -0.44 0.24 0.00 0.00 174.94 174.52 1hms s SER 63 N -1.37 2.38 0.18 4.36 0.01 -1.26 -1.23 113.70 116.77 1hms s SER 63 Ca 0.05 -0.39 -0.15 0.00 1.31 0.00 0.00 55.95 56.77 1hms s SER 63 Cb -0.09 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.50 1hms s SER 63 CO 0.02 0.17 0.45 0.72 0.41 0.00 0.00 173.24 175.01 1hms s PHE 64 N -0.00 0.00 -0.06 2.43 -0.12 0.19 -4.99 117.98 115.43 1hms s PHE 64 Ca -0.04 -0.35 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1hms s PHE 64 Cb -0.12 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1hms s PHE 64 CO 0.03 -0.84 0.05 0.15 -0.05 0.00 0.00 175.22 174.56 1hms s LYS 65 N -3.89 3.08 0.33 1.99 1.02 -1.26 -0.58 119.74 120.43 1hms s LYS 65 Ca 0.10 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1hms s LYS 65 Cb 0.00 -2.88 -0.11 0.00 -0.52 0.00 0.00 37.83 34.32 1hms s LYS 65 CO -0.03 0.69 1.51 -0.51 -0.92 0.00 0.00 175.35 176.09 1hms s LEU 66 N -1.25 4.34 0.00 3.17 1.43 -1.26 -2.81 118.68 122.31 1hms s LEU 66 Ca 0.17 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 1hms s LEU 66 Cb -0.12 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1hms s LEU 66 CO 0.07 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1hms n GLY 67 N 1.35 0.74 3.04 -3.19 0.00 0.02 -5.01 105.19 102.14 1hms n GLY 67 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1hms n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hms s VAL 68 N -2.88 1.50 0.47 1.61 1.01 -1.12 -5.01 120.40 115.98 1hms s VAL 68 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1hms s VAL 68 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 1hms s VAL 68 CO 0.00 0.44 1.22 -0.70 0.00 0.00 0.00 175.10 176.06 1hms s GLU 69 N 1.15 3.67 0.05 2.72 2.12 -1.26 -4.67 118.70 122.47 1hms s GLU 69 Ca -0.03 1.90 -0.00 0.00 0.36 0.00 0.00 54.97 57.20 1hms s GLU 69 Cb -0.14 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 1hms s GLU 69 CO -0.04 -0.66 -0.04 -0.59 -0.54 0.00 0.00 175.26 173.39 1hms s PHE 70 N -1.46 0.49 0.17 5.30 -0.71 -0.19 -4.97 117.98 116.60 1hms s PHE 70 Ca 0.64 -0.86 -0.28 0.00 -1.04 0.00 0.00 56.93 55.40 1hms s PHE 70 Cb -0.32 -0.34 -0.08 0.00 -1.21 0.00 0.00 43.02 41.07 1hms s PHE 70 CO 0.39 -0.28 0.86 -0.51 -1.34 0.00 0.00 175.22 174.34 1hms s ASP 71 N -2.42 7.49 -0.00 1.98 1.01 -1.26 -0.80 116.67 122.67 1hms s ASP 71 Ca -0.00 1.76 0.00 0.00 0.71 0.00 0.00 52.55 55.02 1hms s ASP 71 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1hms s ASP 71 CO -0.06 0.13 -0.00 -0.70 0.21 0.00 0.00 175.17 174.75 1hms s GLU 72 N -0.89 0.04 -0.20 8.23 2.12 -0.72 -4.94 118.70 122.34 1hms s GLU 72 Ca 0.40 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.69 1hms s GLU 72 Cb -0.24 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 1hms s GLU 72 CO 0.29 -0.02 -0.02 0.99 -0.54 0.00 0.00 175.26 175.96 1hms s THR 73 N 0.17 3.74 0.71 -1.70 2.01 -1.26 -1.10 115.64 118.21 1hms s THR 73 Ca -0.01 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 1hms s THR 73 Cb -0.02 -2.68 0.06 0.00 0.01 0.00 0.00 72.50 69.86 1hms s THR 73 CO -0.00 0.44 1.02 0.42 -0.69 0.00 0.00 174.62 175.80 1hms s THR 74 N 1.02 2.27 0.44 -0.82 -4.23 -0.23 -4.91 115.64 109.18 1hms s THR 74 Ca 0.01 -0.27 0.14 0.00 -1.18 0.00 0.00 61.69 60.39 1hms s THR 74 Cb -0.14 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.03 1hms s THR 74 CO 0.01 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.07 1hms h ALA 75 N -0.61 2.03 -0.16 3.99 0.00 -1.96 -0.12 119.26 122.44 1hms h ALA 75 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1hms h ALA 75 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1hms h ALA 75 CO 0.60 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.28 1hms n ASP 76 N -4.47 1.12 -0.89 0.00 5.75 -1.26 -4.95 116.55 111.86 1hms n ASP 76 Ca 0.10 -1.77 -0.07 0.00 -0.01 0.00 0.00 54.79 53.03 1hms n ASP 76 Cb 0.38 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1hms n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1hms n ASP 77 N 0.02 -2.78 -4.80 -1.12 8.00 -0.06 -5.03 116.55 110.78 1hms n ASP 77 Ca 0.12 -0.02 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 1hms n ASP 77 Cb 0.21 -2.04 -0.06 0.00 -0.02 0.00 0.00 41.12 39.22 1hms n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hms s ARG 78 N -4.46 4.36 -0.37 -1.24 0.52 -1.26 -4.83 118.95 111.68 1hms s ARG 78 Ca 0.02 0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 56.09 1hms s ARG 78 Cb -0.01 -2.99 0.01 0.00 0.52 0.00 0.00 34.95 32.48 1hms s ARG 78 CO 0.02 0.44 0.23 -1.59 0.02 0.00 0.00 175.30 174.42 1hms s LYS 79 N -1.71 3.07 0.28 3.54 0.00 -1.26 -1.07 119.74 122.58 1hms s LYS 79 Ca 0.41 -0.93 0.07 0.00 0.00 0.00 0.00 55.97 55.52 1hms s LYS 79 Cb -0.19 -3.78 -0.06 0.00 0.00 0.00 0.00 37.83 33.81 1hms s LYS 79 CO 0.23 -0.62 -0.07 0.14 0.00 0.00 0.00 175.35 175.02 1hms s VAL 80 N 1.62 1.71 -0.24 1.79 -7.23 -0.26 -4.81 120.40 112.99 1hms s VAL 80 Ca 0.04 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 57.99 1hms s VAL 80 Cb -0.18 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1hms s VAL 80 CO 0.08 -0.32 0.07 -0.54 -0.31 0.00 0.00 175.10 174.08 1hms s LYS 81 N -3.71 3.73 0.19 4.82 -0.14 -0.49 -1.76 119.74 122.39 1hms s LYS 81 Ca 0.29 -0.44 0.11 0.00 -1.36 0.00 0.00 55.97 54.57 1hms s LYS 81 Cb 0.03 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1hms s LYS 81 CO 0.12 -0.09 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.27 1hms s SER 82 N 1.36 3.50 -0.11 2.83 0.01 0.02 -0.67 113.70 120.64 1hms s SER 82 Ca 0.05 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 1hms s SER 82 Cb -0.15 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.83 1hms s SER 82 CO 0.04 0.12 0.27 -0.51 0.41 0.00 0.00 173.24 173.57 1hms s ILE 83 N -1.67 -0.01 -0.09 1.44 2.07 -0.80 -1.02 121.20 121.12 1hms s ILE 83 Ca 0.21 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.52 1hms s ILE 83 Cb -0.08 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 1hms s ILE 83 CO 0.10 0.01 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.25 1hms s VAL 84 N 0.40 2.46 0.16 4.00 1.01 -1.26 -1.33 120.40 125.85 1hms s VAL 84 Ca -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1hms s VAL 84 Cb -0.04 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1hms s VAL 84 CO -0.02 0.56 0.13 0.42 0.00 0.00 0.00 175.10 176.19 1hms s THR 85 N 0.05 0.06 -0.25 3.92 -4.23 -0.26 -0.80 115.64 114.12 1hms s THR 85 Ca -0.08 -1.84 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 1hms s THR 85 Cb -0.15 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1hms s THR 85 CO 0.05 -0.28 0.12 -0.22 -0.54 0.00 0.00 174.62 173.76 1hms s LEU 86 N -3.07 3.78 -0.15 4.79 2.96 -1.26 -0.44 118.68 125.29 1hms s LEU 86 Ca 0.28 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1hms s LEU 86 Cb 0.06 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.79 1hms s LEU 86 CO 0.05 -0.00 0.07 -0.62 -1.32 0.00 0.00 176.35 174.53 1hms s ASP 87 N 1.44 2.26 -1.36 3.68 -1.08 -0.44 -4.82 116.67 116.36 1hms s ASP 87 Ca 0.06 -0.54 -0.06 0.00 -0.52 0.00 0.00 52.55 51.49 1hms s ASP 87 Cb -0.15 -0.30 0.04 0.00 -1.46 0.00 0.00 42.92 41.05 1hms s ASP 87 CO 0.06 -0.32 0.44 0.61 0.52 0.00 0.00 175.17 176.48 1hms n GLY 88 N 5.24 -0.50 2.08 2.66 0.00 -1.26 -1.19 105.19 112.21 1hms n GLY 88 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1hms n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hms n GLY 89 N -1.23 1.01 3.90 -0.02 0.00 -1.26 -5.04 105.19 102.55 1hms n GLY 89 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1hms n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hms s LYS 90 N -0.31 3.49 -0.30 1.61 1.02 -0.34 -4.77 119.74 120.14 1hms s LYS 90 Ca 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 1hms s LYS 90 Cb 0.00 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1hms s LYS 90 CO 0.00 0.63 0.48 -1.17 -0.92 0.00 0.00 175.35 174.37 1hms s LEU 91 N -2.15 4.19 -0.25 3.17 2.96 -0.35 -1.33 118.68 124.92 1hms s LEU 91 Ca 0.31 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1hms s LEU 91 Cb -0.13 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 44.01 1hms s LEU 91 CO 0.22 -0.35 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.17 1hms s VAL 92 N 2.29 3.17 -0.23 1.68 1.01 0.42 -0.99 120.40 127.75 1hms s VAL 92 Ca 0.18 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1hms s VAL 92 Cb -0.16 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1hms s VAL 92 CO 0.11 0.25 0.02 -2.28 0.00 0.00 0.00 175.10 173.21 1hms s HIS 93 N 1.40 3.04 -0.13 5.22 2.46 -0.11 -1.11 115.29 126.06 1hms s HIS 93 Ca 0.02 -0.56 -0.01 0.00 0.47 0.00 0.00 55.06 54.98 1hms s HIS 93 Cb -0.16 -2.16 -0.02 0.00 -0.13 0.00 0.00 32.58 30.11 1hms s HIS 93 CO -0.03 -0.38 -0.10 -1.17 -2.47 0.00 0.00 174.74 170.59 1hms s LEU 94 N 1.42 2.89 -0.10 8.88 2.96 -0.44 -0.62 118.68 133.68 1hms s LEU 94 Ca 0.05 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1hms s LEU 94 Cb -0.15 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1hms s LEU 94 CO 0.01 0.18 -0.11 -1.10 -1.32 0.00 0.00 176.35 174.01 1hms s GLN 95 N 0.29 3.03 -0.00 1.98 -0.21 -0.47 -1.91 119.66 122.37 1hms s GLN 95 Ca -0.08 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.70 1hms s GLN 95 Cb -0.15 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 1hms s GLN 95 CO 0.05 0.43 -0.14 0.15 -2.12 0.00 0.00 175.29 173.65 1hms s LYS 96 N -0.20 1.09 -0.28 2.91 1.02 0.16 -1.58 119.74 122.87 1hms s LYS 96 Ca 0.01 -0.55 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 1hms s LYS 96 Cb -0.13 -1.07 0.09 0.00 -0.52 0.00 0.00 37.83 36.20 1hms s LYS 96 CO 0.03 0.29 0.79 1.67 -0.92 0.00 0.00 175.35 177.21 1hms s TRP 97 N -0.43 -0.80 -1.52 3.18 -2.14 -0.89 -1.40 118.94 114.95 1hms s TRP 97 Ca 0.05 1.78 -0.09 0.00 2.66 0.00 0.00 56.10 60.49 1hms s TRP 97 Cb -0.06 0.40 0.07 0.00 -3.10 0.00 0.00 33.47 30.79 1hms s TRP 97 CO -0.00 -0.39 0.71 -0.25 -2.66 0.00 0.00 176.95 174.36 1hms n ASP 98 N 3.18 -2.50 0.00 -2.66 8.00 -1.26 -0.18 116.55 121.14 1hms n ASP 98 Ca -0.16 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1hms n ASP 98 Cb 0.57 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 1hms n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hms n GLY 99 N -1.68 1.33 3.96 0.44 0.00 -1.26 -5.00 105.19 102.98 1hms n GLY 99 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1hms n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hms s GLN 100 N -0.15 2.56 -0.03 1.61 -0.21 0.75 -5.13 119.66 119.07 1hms s GLN 100 Ca 0.00 -1.50 -0.16 0.00 0.02 0.00 0.00 55.36 53.72 1hms s GLN 100 Cb 0.00 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.49 1hms s GLN 100 CO 0.00 -0.41 0.34 -1.83 -2.12 0.00 0.00 175.29 171.27 1hms s GLU 101 N -4.35 0.68 0.02 2.91 -1.05 -1.26 -2.10 118.70 113.56 1hms s GLU 101 Ca 0.52 -0.10 -0.00 0.00 -0.15 0.00 0.00 54.97 55.23 1hms s GLU 101 Cb -0.06 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 1hms s GLU 101 CO 0.32 -0.19 -0.02 0.99 0.95 0.00 0.00 175.26 177.31 1hms s THR 102 N -1.20 0.11 0.00 1.83 2.01 -0.61 -4.64 115.64 113.14 1hms s THR 102 Ca -0.12 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.01 1hms s THR 102 Cb -0.05 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1hms s THR 102 CO 0.04 -0.52 -0.24 0.28 -0.69 0.00 0.00 174.62 173.49 1hms s THR 103 N -1.59 1.93 -0.27 -0.82 -1.32 -1.02 -1.36 115.64 111.19 1hms s THR 103 Ca -0.15 -1.14 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1hms s THR 103 Cb -0.09 -1.63 0.07 0.00 -1.51 0.00 0.00 72.50 69.34 1hms s THR 103 CO -0.01 0.46 -0.06 -0.76 -2.21 0.00 0.00 174.62 172.04 1hms s LEU 104 N -0.80 3.35 -0.14 9.08 1.02 0.21 -1.67 118.68 129.73 1hms s LEU 104 Ca 0.10 -1.47 -0.01 0.00 0.02 0.00 0.00 54.13 52.77 1hms s LEU 104 Cb -0.09 -1.42 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1hms s LEU 104 CO 0.00 -0.25 -0.11 -0.69 0.02 0.00 0.00 176.35 175.33 1hms s VAL 105 N 1.18 3.28 -0.16 -1.59 1.01 0.00 -0.93 120.40 123.19 1hms s VAL 105 Ca -0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1hms s VAL 105 Cb -0.19 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1hms s VAL 105 CO -0.07 0.52 -0.11 -0.13 0.00 0.00 0.00 175.10 175.31 1hms s ARG 106 N 0.34 3.37 0.03 2.72 0.52 -0.16 -0.56 118.95 125.21 1hms s ARG 106 Ca -0.09 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1hms s ARG 106 Cb -0.15 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1hms s ARG 106 CO 0.05 0.08 -0.10 -1.83 0.02 0.00 0.00 175.30 173.52 1hms s GLU 107 N 0.71 0.68 -0.20 3.54 -1.05 -0.36 -1.21 118.70 120.81 1hms s GLU 107 Ca -0.05 -0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 53.97 1hms s GLU 107 Cb -0.15 -0.61 -0.04 0.00 -0.44 0.00 0.00 34.13 32.89 1hms s GLU 107 CO 0.02 0.14 0.39 -0.51 0.95 0.00 0.00 175.26 176.26 1hms s LEU 108 N -1.09 4.15 -0.06 1.83 2.01 -1.26 -0.09 118.68 124.17 1hms s LEU 108 Ca -0.02 0.51 -0.01 0.00 0.01 0.00 0.00 54.13 54.62 1hms s LEU 108 Cb -0.07 -2.51 0.03 0.00 0.01 0.00 0.00 46.19 43.64 1hms s LEU 108 CO 0.01 -0.08 -0.01 -0.63 1.01 0.00 0.00 176.35 176.66 1hms s ILE 109 N 1.31 0.38 -1.46 -0.59 1.01 -0.24 -4.82 121.20 116.80 1hms s ILE 109 Ca 0.19 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1hms s ILE 109 Cb -0.15 -0.52 0.04 0.00 0.01 0.00 0.00 42.46 41.85 1hms s ILE 109 CO 0.08 0.25 0.97 -0.90 0.00 0.00 0.00 174.94 175.34 1hms n ASP 110 N 4.89 -5.56 0.00 3.58 5.75 -1.26 -0.83 116.55 123.12 1hms n ASP 110 Ca -0.12 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1hms n ASP 110 Cb 0.50 -4.43 0.00 0.00 -1.03 0.00 0.00 41.12 36.17 1hms n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hms n GLY 111 N -1.76 0.91 3.89 6.12 0.00 -1.26 -4.99 105.19 108.11 1hms n GLY 111 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1hms n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hms s LYS 112 N -0.27 3.18 -0.32 1.61 1.02 -0.01 -4.64 119.74 120.32 1hms s LYS 112 Ca 0.00 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.04 1hms s LYS 112 Cb 0.00 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1hms s LYS 112 CO 0.00 0.44 0.15 -1.17 -0.92 0.00 0.00 175.35 173.85 1hms s LEU 113 N -3.71 4.19 -0.23 3.17 0.20 -0.44 -1.08 118.68 120.78 1hms s LEU 113 Ca 0.33 -0.67 -0.12 0.00 0.69 0.00 0.00 54.13 54.36 1hms s LEU 113 Cb -0.09 -1.98 -0.05 0.00 -0.43 0.00 0.00 46.19 43.64 1hms s LEU 113 CO 0.27 -0.24 0.22 -0.63 -0.29 0.00 0.00 176.35 175.68 1hms s ILE 114 N 1.58 5.32 -0.23 6.68 -1.09 0.87 -0.96 121.20 133.36 1hms s ILE 114 Ca 0.04 0.32 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1hms s ILE 114 Cb -0.18 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1hms s ILE 114 CO 0.06 0.32 0.02 -0.22 -1.23 0.00 0.00 174.94 173.88 1hms s LEU 115 N 1.16 3.19 -0.14 2.97 2.96 0.52 -1.22 118.68 128.12 1hms s LEU 115 Ca 0.10 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1hms s LEU 115 Cb -0.14 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1hms s LEU 115 CO 0.06 -0.02 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.07 1hms s THR 116 N 1.52 3.27 -0.11 3.68 2.01 0.28 -0.28 115.64 126.00 1hms s THR 116 Ca 0.06 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1hms s THR 116 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1hms s THR 116 CO 0.01 0.51 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.46 1hms s LEU 117 N 0.39 2.09 -0.06 4.42 1.43 0.03 -0.82 118.68 126.17 1hms s LEU 117 Ca -0.09 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1hms s LEU 117 Cb -0.15 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1hms s LEU 117 CO 0.05 0.13 -0.13 -0.89 0.23 0.00 0.00 176.35 175.74 1hms s THR 118 N 0.50 1.13 -0.14 5.49 2.01 -0.67 -0.71 115.64 123.25 1hms s THR 118 Ca -0.15 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1hms s THR 118 Cb -0.17 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 71.37 1hms s THR 118 CO 0.05 0.35 0.31 -2.28 -0.69 0.00 0.00 174.62 172.37 1hms s HIS 119 N 0.51 -0.46 0.00 4.92 5.04 -0.65 -2.45 115.29 122.20 1hms s HIS 119 Ca -0.11 1.02 0.00 0.00 -1.54 0.00 0.00 55.06 54.43 1hms s HIS 119 Cb -0.14 0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.60 1hms s HIS 119 CO 0.03 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 172.54 1hms n GLY 120 N 4.49 2.99 0.57 1.59 0.00 -1.26 -0.90 105.19 112.67 1hms n GLY 120 Ca -0.21 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1hms n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hms n THR 121 N 0.00 0.00 -3.29 2.61 -2.24 -1.26 -4.95 114.28 105.15 1hms n THR 121 Ca 0.00 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 1hms n THR 121 Cb 0.00 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 1hms n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hms s ALA 122 N -2.26 3.52 -0.10 6.98 0.00 -0.07 -5.05 121.76 124.77 1hms s ALA 122 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1hms s ALA 122 Cb 0.19 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.68 1hms s ALA 122 CO 0.44 0.15 -0.09 0.08 0.00 0.00 0.00 175.76 176.35 1hms s VAL 123 N -0.03 1.05 -0.06 0.00 1.01 -1.26 -1.63 120.40 119.48 1hms s VAL 123 Ca 0.28 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1hms s VAL 123 Cb -0.17 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1hms s VAL 123 CO 0.14 0.36 -0.21 0.00 0.00 0.00 0.00 175.10 175.39 1hms s THR 125 N -0.29 2.49 -0.07 0.00 -1.32 -0.77 -0.79 115.64 114.89 1hms s THR 125 Ca 0.01 -0.84 0.04 0.00 -1.21 0.00 0.00 61.69 59.69 1hms s THR 125 Cb -0.13 -2.03 -0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1hms s THR 125 CO 0.03 0.53 -0.21 -0.13 -2.21 0.00 0.00 174.62 172.63 1hms s ARG 126 N 0.70 2.45 -0.18 7.08 0.52 0.61 -0.95 118.95 129.19 1hms s ARG 126 Ca -0.08 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1hms s ARG 126 Cb -0.16 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 1hms s ARG 126 CO 0.01 0.21 0.01 0.99 0.02 0.00 0.00 175.30 176.55 1hms s THR 127 N 0.22 4.23 0.06 0.02 2.01 -0.47 -0.35 115.64 121.36 1hms s THR 127 Ca -0.12 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.75 1hms s THR 127 Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1hms s THR 127 CO 0.05 0.46 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.87 1hms s TYR 128 N 0.58 2.28 0.17 4.92 1.51 -0.13 -0.87 117.35 125.81 1hms s TYR 128 Ca -0.00 -0.41 0.11 0.00 -1.01 0.00 0.00 57.07 55.76 1hms s TYR 128 Cb -0.14 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1hms s TYR 128 CO 0.02 0.15 -0.24 -1.21 -1.11 0.00 0.00 175.55 173.17 1hms s GLU 129 N -1.35 1.53 0.11 -0.62 2.02 -0.29 -1.33 118.70 118.77 1hms s GLU 129 Ca 0.12 -1.44 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 1hms s GLU 129 Cb -0.10 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.18 1hms s GLU 129 CO 0.03 0.42 0.95 0.21 0.02 0.00 0.00 175.26 176.89 1hms s LYS 130 N -2.48 4.69 0.00 1.61 2.20 -1.26 -0.98 119.74 123.51 1hms s LYS 130 Ca 0.19 1.44 0.25 0.00 -0.36 0.00 0.00 55.97 57.48 1hms s LYS 130 Cb -0.09 -3.38 0.32 0.00 -1.51 0.00 0.00 37.83 33.18 1hms s LYS 130 CO 0.09 0.21 1.33 -1.91 -0.36 0.00 0.00 175.35 174.72