#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nam h LYS 2 N 0.00 -0.24 -5.07 2.61 1.79 -1.94 -3.39 116.57 110.34 1nam h LYS 2 Ca 0.00 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.83 1nam h LYS 2 Cb 0.00 0.05 -0.34 0.00 -1.58 0.00 0.00 32.23 30.36 1nam h LYS 2 CO 0.00 -0.16 -0.86 0.08 -1.08 0.00 0.00 179.45 177.43 1nam s VAL 3 N -6.14 1.95 -0.16 0.50 1.01 -1.26 0.10 120.40 116.40 1nam s VAL 3 Ca -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1nam s VAL 3 Cb 0.08 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1nam s VAL 3 CO 0.66 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 175.24 1nam s THR 4 N 0.98 1.73 -0.57 3.92 2.01 0.87 -4.17 115.64 120.41 1nam s THR 4 Ca -0.04 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1nam s THR 4 Cb -0.15 -1.59 0.15 0.00 0.01 0.00 0.00 72.50 70.91 1nam s THR 4 CO -0.05 0.48 0.43 -1.10 -0.69 0.00 0.00 174.62 173.70 1nam s GLN 5 N 1.41 2.66 0.47 4.92 -0.21 -1.26 -1.55 119.66 126.10 1nam s GLN 5 Ca 0.05 -2.07 0.20 0.00 0.02 0.00 0.00 55.36 53.56 1nam s GLN 5 Cb -0.13 -3.95 1.20 0.00 1.00 0.00 0.00 33.01 31.13 1nam s GLN 5 CO -0.11 -1.20 1.93 1.15 -2.12 0.00 0.00 175.29 174.93 1nam h THR 6 N 5.71 0.73 -3.18 -0.19 2.02 -1.96 -3.43 112.91 112.62 1nam h THR 6 Ca -0.11 -0.09 -0.60 0.00 0.77 0.00 0.00 66.41 66.39 1nam h THR 6 Cb 1.04 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 1nam h THR 6 CO 0.80 0.05 -0.28 -1.10 0.37 0.00 0.00 175.52 175.36 1nam s GLN 7 N -5.26 4.13 -0.11 6.66 -0.21 -1.26 -4.98 119.66 118.63 1nam s GLN 7 Ca -0.07 0.21 -0.27 0.00 0.02 0.00 0.00 55.36 55.25 1nam s GLN 7 Cb 0.21 -3.36 -0.23 0.00 1.00 0.00 0.00 33.01 30.62 1nam s GLN 7 CO 0.76 0.37 0.87 1.15 -2.12 0.00 0.00 175.29 176.32 1nam h THR 8 N 4.41 1.60 -3.92 -0.19 2.02 -1.84 -3.39 112.91 111.59 1nam h THR 8 Ca -0.45 -1.97 -0.10 0.00 0.77 0.00 0.00 66.41 64.67 1nam h THR 8 Cb 1.18 2.91 -0.15 0.00 -1.74 0.00 0.00 68.15 70.36 1nam h THR 8 CO 0.71 0.50 -0.48 -0.94 0.37 0.00 0.00 175.52 175.68 1nam s SER 9 N -6.04 0.23 -0.02 4.18 1.04 -1.26 -0.63 113.70 111.20 1nam s SER 9 Ca -0.17 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.55 1nam s SER 9 Cb -0.02 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1nam s SER 9 CO 0.65 -0.66 -0.08 -0.63 0.98 0.00 0.00 173.24 173.50 1nam s ILE 10 N -3.70 0.71 -0.14 -1.02 -1.09 0.55 -4.90 121.20 111.61 1nam s ILE 10 Ca 0.04 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1nam s ILE 10 Cb 0.05 -0.63 0.01 0.00 -1.58 0.00 0.00 42.46 40.30 1nam s ILE 10 CO -0.10 0.22 -0.21 -0.55 -1.23 0.00 0.00 174.94 173.08 1nam s SER 11 N 0.15 3.25 0.22 3.58 0.15 -1.26 0.07 113.70 119.86 1nam s SER 11 Ca -0.02 -0.56 -0.03 0.00 0.70 0.00 0.00 55.95 56.04 1nam s SER 11 Cb -0.08 -1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 1nam s SER 11 CO 0.00 0.09 0.22 0.68 1.20 0.00 0.00 173.24 175.44 1nam s VAL 12 N 0.74 0.00 0.57 4.45 -7.23 0.19 -4.98 120.40 114.14 1nam s VAL 12 Ca -0.08 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.15 1nam s VAL 12 Cb -0.16 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1nam s VAL 12 CO 0.00 0.00 0.92 -0.04 -0.31 0.00 0.00 175.10 175.67 1nam s MET 13 N -4.05 3.34 0.87 4.82 -1.94 -1.26 -0.10 119.30 120.98 1nam s MET 13 Ca 0.35 0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 54.55 1nam s MET 13 Cb 0.05 -2.23 0.09 0.00 2.01 0.00 0.00 34.83 34.75 1nam s MET 13 CO 0.13 -0.51 1.00 -1.91 -0.01 0.00 0.00 175.02 173.71 1nam n GLU 14 N -2.55 -0.13 -0.20 2.03 2.13 -0.46 -3.11 120.64 118.34 1nam n GLU 14 Ca 0.04 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1nam n GLU 14 Cb 0.56 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1nam n GLU 14 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1nam n LYS 15 N -3.18 0.00 -1.31 5.31 5.02 0.51 -4.87 118.16 119.63 1nam n LYS 15 Ca 0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 1nam n LYS 15 Cb 0.51 -3.09 0.24 0.00 -0.02 0.00 0.00 35.03 32.67 1nam n LYS 15 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1nam n THR 16 N -2.00 0.00 -4.53 -0.18 -1.04 -1.18 -4.31 114.28 101.05 1nam n THR 16 Ca 0.00 -0.63 -0.31 0.00 -2.04 0.00 0.00 64.05 61.07 1nam n THR 16 Cb 0.00 -1.32 -0.17 0.00 -1.82 0.00 0.00 70.33 67.03 1nam n THR 16 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nam s THR 17 N -3.28 1.78 0.00 12.58 2.01 -1.26 0.03 115.64 127.50 1nam s THR 17 Ca 0.73 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1nam s THR 17 Cb -0.06 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1nam s THR 17 CO 0.55 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.18 1nam s VAL 18 N 0.94 3.34 -0.15 3.82 1.01 -0.49 -4.98 120.40 123.89 1nam s VAL 18 Ca -0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1nam s VAL 18 Cb -0.15 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1nam s VAL 18 CO -0.03 0.42 -0.11 -0.89 0.00 0.00 0.00 175.10 174.49 1nam s THR 19 N -0.93 3.14 -0.21 3.92 2.01 -1.26 -1.04 115.64 121.27 1nam s THR 19 Ca 0.15 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1nam s THR 19 Cb -0.11 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1nam s THR 19 CO 0.06 0.51 0.03 -0.04 -0.69 0.00 0.00 174.62 174.48 1nam s MET 20 N 0.52 3.67 0.64 4.92 1.00 -0.30 -4.95 119.30 124.81 1nam s MET 20 Ca -0.08 -0.49 -0.15 0.00 0.00 0.00 0.00 55.69 54.98 1nam s MET 20 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 34.83 31.50 1nam s MET 20 CO 0.04 -0.01 1.08 -0.51 0.00 0.00 0.00 175.02 175.61 1nam s ASP 21 N 1.10 5.44 -0.27 3.03 1.01 -1.26 -1.59 116.67 124.13 1nam s ASP 21 Ca 0.03 1.86 -0.22 0.00 0.71 0.00 0.00 52.55 54.92 1nam s ASP 21 Cb -0.14 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.33 1nam s ASP 21 CO 0.02 -1.40 0.73 0.00 0.21 0.00 0.00 175.17 174.74 1nam s VAL 23 N 0.72 1.30 0.07 0.00 1.01 -0.59 -1.39 120.40 121.52 1nam s VAL 23 Ca -0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 1nam s VAL 23 Cb -0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1nam s VAL 23 CO -0.05 -0.25 0.06 -0.72 0.00 0.00 0.00 175.10 174.15 1nam s TYR 24 N -1.50 0.42 -0.02 5.22 -0.85 -0.43 -0.09 117.35 120.10 1nam s TYR 24 Ca 0.03 -0.91 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 1nam s TYR 24 Cb -0.09 -0.27 0.00 0.00 0.38 0.00 0.00 41.96 41.99 1nam s TYR 24 CO 0.03 -0.46 -0.07 -1.21 -1.52 0.00 0.00 175.55 172.32 1nam s GLU 25 N -3.91 0.71 -0.07 -3.49 2.02 0.11 -4.82 118.70 109.25 1nam s GLU 25 Ca 0.08 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 1nam s GLU 25 Cb 0.07 -0.69 0.07 0.00 0.10 0.00 0.00 34.13 33.67 1nam s GLU 25 CO -0.09 0.08 0.69 -0.08 0.02 0.00 0.00 175.26 175.88 1nam s THR 26 N 0.21 0.00 -1.34 3.63 -1.32 -1.26 -4.71 115.64 110.86 1nam s THR 26 Ca -0.03 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 1nam s THR 26 Cb -0.07 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.49 1nam s THR 26 CO 0.00 0.00 1.49 0.00 -2.21 0.00 0.00 174.62 173.90 1nam n GLN 27 N 1.06 3.08 -2.51 7.08 10.64 -1.26 -4.98 117.38 130.49 1nam n GLN 27 Ca -0.18 -2.59 -0.39 0.00 -1.83 0.00 0.00 57.00 52.01 1nam n GLN 27 Cb 0.57 -1.61 -0.04 0.00 -0.86 0.00 0.00 30.24 28.30 1nam n GLN 27 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1nam s ASP 28 N -1.04 7.11 0.09 2.61 1.11 -1.26 -4.97 116.67 120.33 1nam s ASP 28 Ca 0.43 2.18 -0.21 0.00 0.18 0.00 0.00 52.55 55.13 1nam s ASP 28 Cb 0.25 -2.61 -0.10 0.00 1.07 0.00 0.00 42.92 41.53 1nam s ASP 28 CO 0.25 -0.25 1.63 0.28 1.18 0.00 0.00 175.17 178.26 1nam h SER 29 N 3.39 0.23 -4.21 0.27 0.02 -2.05 -3.42 113.55 107.78 1nam h SER 29 Ca -0.47 -0.16 -0.69 0.00 -0.84 0.00 0.00 61.79 59.62 1nam h SER 29 Cb 1.21 -0.06 -0.27 0.00 0.14 0.00 0.00 62.40 63.43 1nam h SER 29 CO 0.65 0.33 -0.82 -0.44 -1.14 0.00 0.00 176.83 175.41 1nam s SER 30 N -5.56 3.59 0.23 3.07 0.01 -1.26 -4.93 113.70 108.85 1nam s SER 30 Ca -0.14 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1nam s SER 30 Cb 0.07 -0.70 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1nam s SER 30 CO 0.70 0.32 0.42 -0.72 0.41 0.00 0.00 173.24 174.38 1nam s TYR 30 N -0.59 0.44 -0.01 2.43 -0.85 -1.26 -5.04 117.35 112.47 1nam s TYR 30 Ca 0.09 -0.79 0.01 0.00 -0.52 0.00 0.00 57.07 55.86 1nam s TYR 30 Cb -0.11 0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.33 1nam s TYR 30 CO 0.00 -0.93 -0.01 -0.06 -1.52 0.00 0.00 175.55 173.03 1nam s PHE 31 N -4.03 0.21 -0.04 -3.49 0.40 -1.26 -1.52 117.98 108.26 1nam s PHE 31 Ca 0.23 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.60 1nam s PHE 31 Cb 0.01 -0.19 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 1nam s PHE 31 CO 0.08 -0.03 -0.20 -0.51 0.70 0.00 0.00 175.22 175.26 1nam s LEU 32 N 0.24 1.99 0.09 -0.37 1.43 -0.53 -1.69 118.68 119.84 1nam s LEU 32 Ca -0.02 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1nam s LEU 32 Cb -0.04 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1nam s LEU 32 CO -0.01 0.21 -0.07 -0.36 0.23 0.00 0.00 176.35 176.35 1nam s PHE 33 N -0.20 0.90 -0.05 0.29 0.40 0.19 -0.62 117.98 118.90 1nam s PHE 33 Ca 0.01 -0.82 0.05 0.00 -0.60 0.00 0.00 56.93 55.56 1nam s PHE 33 Cb -0.11 -0.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 1nam s PHE 33 CO 0.01 -0.11 -0.21 -1.58 0.70 0.00 0.00 175.22 174.03 1nam s TRP 34 N -3.18 2.06 0.17 0.36 0.52 -0.76 0.39 118.94 118.50 1nam s TRP 34 Ca 0.08 -0.62 0.07 0.00 0.02 0.00 0.00 56.10 55.65 1nam s TRP 34 Cb 0.02 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 1nam s TRP 34 CO -0.03 -0.20 -0.14 0.71 0.02 0.00 0.00 176.95 177.31 1nam s TYR 35 N -0.03 1.54 0.07 -1.98 1.51 0.53 -1.18 117.35 117.82 1nam s TYR 35 Ca -0.05 -0.61 0.06 0.00 -1.01 0.00 0.00 57.07 55.46 1nam s TYR 35 Cb -0.13 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1nam s TYR 35 CO 0.03 0.24 -0.15 -1.59 -1.11 0.00 0.00 175.55 172.97 1nam s LYS 36 N -3.39 0.87 -0.10 -0.62 -2.85 0.08 0.32 119.74 114.04 1nam s LYS 36 Ca 0.18 -0.97 0.03 0.00 -1.00 0.00 0.00 55.97 54.21 1nam s LYS 36 Cb -0.01 -0.91 -0.00 0.00 -2.06 0.00 0.00 37.83 34.84 1nam s LYS 36 CO 0.04 0.21 -0.22 -1.14 0.10 0.00 0.00 175.35 174.34 1nam s GLN 37 N -1.72 3.05 0.53 1.78 0.74 0.34 -0.18 119.66 124.20 1nam s GLN 37 Ca -0.01 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.58 1nam s GLN 37 Cb -0.10 -2.35 0.03 0.00 1.10 0.00 0.00 33.01 31.69 1nam s GLN 37 CO 0.02 0.21 0.74 0.95 -0.55 0.00 0.00 175.29 176.67 1nam s THR 38 N 0.27 2.72 0.35 -0.34 -4.23 -0.85 -2.11 115.64 111.45 1nam s THR 38 Ca -0.15 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.78 1nam s THR 38 Cb -0.17 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.01 1nam s THR 38 CO 0.08 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 175.86 1nam h ALA 39 N 0.16 1.99 -0.09 3.99 0.00 -1.92 0.49 119.26 123.87 1nam h ALA 39 Ca -0.42 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nam h ALA 39 Cb 1.29 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nam h ALA 39 CO 0.51 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1nam n SER 40 N -4.89 0.74 0.00 0.00 3.41 -1.26 -4.91 113.62 106.71 1nam n SER 40 Ca 0.29 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 1nam n SER 40 Cb 0.90 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1nam n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nam n GLY 41 N 0.88 0.65 3.78 5.00 0.00 0.17 -5.04 105.19 110.62 1nam n GLY 41 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1nam n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nam s GLU 42 N -0.29 4.60 -0.41 1.61 -1.05 -1.26 -4.81 118.70 117.10 1nam s GLU 42 Ca 0.00 1.26 -0.07 0.00 -0.15 0.00 0.00 54.97 56.02 1nam s GLU 42 Cb 0.00 -3.03 0.09 0.00 -0.44 0.00 0.00 34.13 30.75 1nam s GLU 42 CO 0.00 0.42 0.23 0.42 0.95 0.00 0.00 175.26 177.28 1nam s ILE 43 N -1.40 3.86 -0.19 1.83 1.01 -1.26 -2.01 121.20 123.04 1nam s ILE 43 Ca 0.44 -1.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 1nam s ILE 43 Cb -0.21 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1nam s ILE 43 CO 0.26 -0.55 0.09 -0.69 0.00 0.00 0.00 174.94 174.05 1nam s VAL 44 N 1.33 5.03 0.28 2.92 1.01 0.74 -4.90 120.40 126.80 1nam s VAL 44 Ca 0.04 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1nam s VAL 44 Cb -0.23 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1nam s VAL 44 CO -0.00 0.44 1.11 0.12 0.00 0.00 0.00 175.10 176.77 1nam s PHE 45 N 0.43 3.57 -0.11 5.22 5.36 -1.26 -0.74 117.98 130.44 1nam s PHE 45 Ca 0.05 1.69 -0.06 0.00 -0.96 0.00 0.00 56.93 57.65 1nam s PHE 45 Cb -0.12 -3.29 -0.05 0.00 -0.34 0.00 0.00 43.02 39.22 1nam s PHE 45 CO -0.00 -0.59 -0.16 1.28 -1.46 0.00 0.00 175.22 174.29 1nam n LEU 46 N 1.24 0.90 -3.58 6.12 4.32 -0.32 -4.91 117.00 120.77 1nam n LEU 46 Ca -0.01 0.15 -0.07 0.00 -0.02 0.00 0.00 56.01 56.06 1nam n LEU 46 Cb 0.45 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 1nam n LEU 46 CO 0.54 0.19 0.88 -0.51 -1.22 0.00 0.00 177.39 177.27 1nam s ILE 47 N -2.24 0.00 0.07 -0.08 2.07 -1.17 -4.96 121.20 114.89 1nam s ILE 47 Ca -0.17 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1nam s ILE 47 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1nam s ILE 47 CO 0.21 0.00 -0.05 0.00 -1.91 0.00 0.00 174.94 173.19 1nam s ARG 48 N -1.64 0.66 -0.05 3.50 1.70 -1.26 -1.83 118.95 120.03 1nam s ARG 48 Ca 0.03 -1.17 -0.01 0.00 -0.47 0.00 0.00 55.73 54.11 1nam s ARG 48 Cb -0.01 0.00 0.03 0.00 -0.57 0.00 0.00 34.95 34.40 1nam s ARG 48 CO -0.03 -0.06 0.01 -1.14 -1.08 0.00 0.00 175.30 173.00 1nam s GLN 49 N -3.48 0.40 0.16 3.89 2.00 0.21 -4.72 119.66 118.12 1nam s GLN 49 Ca 0.05 0.14 -0.23 0.00 -2.00 0.00 0.00 55.36 53.32 1nam s GLN 49 Cb 0.04 -0.74 -0.08 0.00 0.80 0.00 0.00 33.01 33.03 1nam s GLN 49 CO -0.06 -0.25 0.73 -0.51 -0.50 0.00 0.00 175.29 174.70 1nam s ASP 50 N 1.70 7.28 0.25 6.67 1.01 -1.26 -1.45 116.67 130.86 1nam s ASP 50 Ca 0.00 1.54 0.04 0.00 0.71 0.00 0.00 52.55 54.84 1nam s ASP 50 Cb -0.13 -2.46 0.28 0.00 1.01 0.00 0.00 42.92 41.62 1nam s ASP 50 CO -0.03 0.19 1.58 0.77 0.21 0.00 0.00 175.17 177.89 1nam h SER 51 N 4.21 0.29 0.81 0.27 4.64 -1.68 -2.86 113.55 119.23 1nam h SER 51 Ca -0.48 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1nam h SER 51 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1nam h SER 51 CO 0.65 0.79 -0.32 0.00 -0.87 0.00 0.00 176.83 177.08 1nam n TYR 52 N -3.91 0.18 -2.58 4.77 0.18 -1.26 -4.75 117.16 109.79 1nam n TYR 52 Ca -0.02 0.05 -0.42 0.00 1.88 0.00 0.00 57.90 59.39 1nam n TYR 52 Cb 0.59 -0.46 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 1nam n TYR 52 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1nam s LYS 53 N -3.04 4.44 -0.66 -3.48 2.20 -1.08 -4.96 119.74 113.17 1nam s LYS 53 Ca 0.11 1.55 -0.02 0.00 -0.36 0.00 0.00 55.97 57.25 1nam s LYS 53 Cb 0.17 -3.49 0.37 0.00 -1.51 0.00 0.00 37.83 33.37 1nam s LYS 53 CO 0.64 -0.27 2.08 1.63 -0.36 0.00 0.00 175.35 179.07 1nam n LYS 54 N 4.56 2.57 -3.71 4.03 4.76 -1.26 -4.86 118.16 124.25 1nam n LYS 54 Ca 0.09 -3.07 -0.12 0.00 -2.87 0.00 0.00 58.31 52.34 1nam n LYS 54 Cb 0.48 -2.19 -0.10 0.00 -1.84 0.00 0.00 35.03 31.38 1nam n LYS 54 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1nam s GLU 55 N -3.50 0.48 -0.13 1.97 2.12 -1.26 -5.12 118.70 113.25 1nam s GLU 55 Ca 0.57 0.71 -0.33 0.00 0.36 0.00 0.00 54.97 56.28 1nam s GLU 55 Cb 0.45 0.15 -0.10 0.00 0.26 0.00 0.00 34.13 34.89 1nam s GLU 55 CO -0.12 -0.10 2.01 0.09 -0.54 0.00 0.00 175.26 176.60 1nam n ASN 56 N 3.42 3.34 -4.65 -1.70 3.02 -1.26 -4.95 115.26 112.48 1nam n ASN 56 Ca -0.17 0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 54.74 1nam n ASN 56 Cb 0.56 -1.42 0.06 0.00 -0.61 0.00 0.00 39.78 38.38 1nam n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nam n ALA 57 N 8.24 0.44 -3.37 5.41 0.00 -1.26 -4.78 120.51 125.18 1nam n ALA 57 Ca 0.26 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 1nam n ALA 57 Cb 0.33 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.52 1nam n ALA 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1nam s THR 58 N -1.50 0.01 -0.26 0.00 -1.32 -1.26 -1.09 115.64 110.22 1nam s THR 58 Ca 0.78 -0.12 -0.10 0.00 -1.21 0.00 0.00 61.69 61.04 1nam s THR 58 Cb -0.40 -0.72 0.11 0.00 -1.51 0.00 0.00 72.50 69.98 1nam s THR 58 CO 0.45 -0.07 0.59 -0.69 -2.21 0.00 0.00 174.62 172.69 1nam s VAL 59 N -0.40 -0.65 0.00 5.08 1.01 0.12 -5.00 120.40 120.57 1nam s VAL 59 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1nam s VAL 59 Cb -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1nam s VAL 59 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1nam n GLY 60 N 5.12 2.91 0.35 4.51 0.00 -1.26 -1.35 105.19 115.46 1nam n GLY 60 Ca -0.14 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.71 1nam n GLY 60 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1nam n HIS 61 N 13.72 0.00 -2.86 1.61 -0.00 -1.26 -4.84 115.22 121.59 1nam n HIS 61 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1nam n HIS 61 Cb 0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.99 29.89 1nam n HIS 61 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1nam s TYR 62 N -2.23 3.71 -0.06 -1.40 4.12 -0.46 -2.43 117.35 118.61 1nam s TYR 62 Ca 0.32 1.58 -0.15 0.00 0.02 0.00 0.00 57.07 58.84 1nam s TYR 62 Cb 0.20 -2.95 0.03 0.00 -1.52 0.00 0.00 41.96 37.72 1nam s TYR 62 CO 0.42 0.16 0.36 -1.54 0.02 0.00 0.00 175.55 174.96 1nam s SER 63 N 0.35 -0.29 0.09 2.29 1.04 -0.38 -0.70 113.70 116.11 1nam s SER 63 Ca 0.44 0.36 -0.00 0.00 0.48 0.00 0.00 55.95 57.23 1nam s SER 63 Cb -0.21 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1nam s SER 63 CO 0.25 -0.35 0.25 -0.76 0.98 0.00 0.00 173.24 173.62 1nam s LEU 64 N -0.78 4.34 -0.41 2.42 1.43 -0.25 -0.18 118.68 125.25 1nam s LEU 64 Ca -0.09 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1nam s LEU 64 Cb -0.04 -3.00 0.11 0.00 0.03 0.00 0.00 46.19 43.29 1nam s LEU 64 CO 0.03 0.13 0.14 0.21 0.23 0.00 0.00 176.35 177.09 1nam s ASN 65 N -2.65 4.73 -0.26 2.29 2.47 -0.84 -4.55 114.94 116.13 1nam s ASN 65 Ca 0.36 -2.40 -0.14 0.00 0.42 0.00 0.00 52.86 51.10 1nam s ASN 65 Cb -0.12 -1.67 -0.04 0.00 -1.45 0.00 0.00 41.25 37.97 1nam s ASN 65 CO 0.28 -0.36 0.33 0.12 -3.72 0.00 0.00 177.10 173.75 1nam s PHE 66 N 0.58 3.26 -0.55 0.43 5.36 -1.26 -2.24 117.98 123.57 1nam s PHE 66 Ca 0.12 0.38 0.05 0.00 -0.96 0.00 0.00 56.93 56.53 1nam s PHE 66 Cb -0.21 -2.51 0.19 0.00 -0.34 0.00 0.00 43.02 40.15 1nam s PHE 66 CO -0.05 -0.17 0.49 1.04 -1.46 0.00 0.00 175.22 175.07 1nam n GLN 67 N 5.10 1.22 -0.28 10.12 6.02 -0.32 -4.94 117.38 134.29 1nam n GLN 67 Ca -0.10 -3.88 -0.02 0.00 -0.01 0.00 0.00 57.00 52.99 1nam n GLN 67 Cb 0.51 -1.92 0.01 0.00 1.02 0.00 0.00 30.24 29.86 1nam n GLN 67 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1nam n LYS 68 N 2.01 -0.20 -0.13 -1.09 3.00 -1.26 -0.62 118.16 119.86 1nam n LYS 68 Ca 0.25 1.09 -0.03 0.00 -0.00 0.00 0.00 58.31 59.62 1nam n LYS 68 Cb 0.43 -1.61 0.20 0.00 0.00 0.00 0.00 35.03 34.05 1nam n LYS 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1nam h PRO 69 N 0.00 0.83 -0.14 1.64 0.11 -1.94 -0.22 132.00 132.27 1nam h PRO 69 Ca 0.22 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1nam h PRO 69 Cb 0.39 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1nam h PRO 69 CO -0.69 0.73 0.00 1.63 -0.21 0.00 0.00 178.00 179.46 1nam n LYS 70 N -4.29 1.39 -4.17 1.05 5.02 0.21 -4.89 118.16 112.48 1nam n LYS 70 Ca 0.04 -0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 55.38 1nam n LYS 70 Cb 0.21 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1nam n LYS 70 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1nam n SER 71 N -0.08 -2.69 -4.20 4.39 7.64 -0.10 -4.88 113.62 113.71 1nam n SER 71 Ca 0.10 -1.01 -0.21 0.00 1.01 0.00 0.00 58.87 58.75 1nam n SER 71 Cb 0.17 -2.81 -0.13 0.00 -1.01 0.00 0.00 64.21 60.43 1nam n SER 71 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1nam s SER 72 N -3.52 2.00 -0.46 6.43 0.15 -1.15 -1.31 113.70 115.84 1nam s SER 72 Ca 0.58 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.71 1nam s SER 72 Cb -0.32 -0.11 0.18 0.00 -1.71 0.00 0.00 66.02 64.06 1nam s SER 72 CO 0.92 0.02 0.55 -0.51 1.20 0.00 0.00 173.24 175.42 1nam s ILE 73 N -1.07 -0.48 0.59 6.45 1.10 -0.49 -1.17 121.20 126.13 1nam s ILE 73 Ca 0.02 -1.47 -0.15 0.00 -0.51 0.00 0.00 60.65 58.55 1nam s ILE 73 Cb -0.09 -0.49 -0.04 0.00 0.15 0.00 0.00 42.46 41.98 1nam s ILE 73 CO 0.02 -0.48 1.03 -0.83 -2.11 0.00 0.00 174.94 172.58 1nam s GLY 74 N 0.74 2.01 -0.19 1.50 0.00 -0.95 -4.18 107.32 106.25 1nam s GLY 74 Ca 0.28 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 1nam s GLY 74 CO -0.10 0.55 -0.09 -2.27 0.00 0.00 0.00 173.10 171.20 1nam s LEU 75 N -4.57 2.74 -0.21 0.66 2.96 -0.62 -1.99 118.68 117.65 1nam s LEU 75 Ca 0.61 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 1nam s LEU 75 Cb -0.13 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1nam s LEU 75 CO 0.39 0.02 0.08 -0.63 -1.32 0.00 0.00 176.35 174.89 1nam s ILE 76 N 1.20 4.72 -0.20 6.68 1.01 0.74 -1.14 121.20 134.21 1nam s ILE 76 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1nam s ILE 76 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 1nam s ILE 76 CO -0.03 0.40 -0.00 -0.63 0.00 0.00 0.00 174.94 174.68 1nam s ILE 77 N 0.87 3.92 -0.09 2.92 1.01 -0.21 -1.24 121.20 128.38 1nam s ILE 77 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1nam s ILE 77 Cb -0.14 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1nam s ILE 77 CO 0.03 0.43 0.07 -0.89 0.00 0.00 0.00 174.94 174.58 1nam s THR 78 N 1.01 4.90 -0.58 2.92 2.01 -1.02 -1.40 115.64 123.48 1nam s THR 78 Ca 0.02 -0.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 1nam s THR 78 Cb -0.14 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1nam s THR 78 CO 0.02 0.59 0.65 0.00 -0.69 0.00 0.00 174.62 175.18 1nam n ALA 79 N 1.97 -2.76 -2.16 7.40 0.00 -0.87 -4.86 120.51 119.24 1nam n ALA 79 Ca -0.19 0.58 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1nam n ALA 79 Cb 0.54 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 1nam n ALA 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nam s THR 80 N -2.76 3.39 0.30 0.00 -4.23 0.10 -4.77 115.64 107.67 1nam s THR 80 Ca 0.13 1.03 0.07 0.00 -1.18 0.00 0.00 61.69 61.75 1nam s THR 80 Cb -0.04 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1nam s THR 80 CO 0.77 0.10 0.25 -1.58 -0.54 0.00 0.00 174.62 173.61 1nam s GLN 81 N 0.78 2.80 0.21 3.99 0.74 -1.26 -0.36 119.66 126.56 1nam s GLN 81 Ca 0.62 -1.20 -0.10 0.00 0.05 0.00 0.00 55.36 54.73 1nam s GLN 81 Cb -0.36 -2.50 0.21 0.00 1.10 0.00 0.00 33.01 31.46 1nam s GLN 81 CO 0.32 0.22 1.83 0.82 -0.55 0.00 0.00 175.29 177.93 1nam h ILE 82 N 1.36 1.04 0.00 -2.34 5.03 -1.96 -1.01 117.51 119.63 1nam h ILE 82 Ca -0.46 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1nam h ILE 82 Cb 1.25 0.19 0.00 0.00 -3.03 0.00 0.00 36.82 35.22 1nam h ILE 82 CO 0.59 0.14 0.00 -1.84 -0.68 0.00 0.00 178.15 176.37 1nam n GLU 83 N -4.71 0.43 -0.00 2.37 0.28 -1.26 -2.20 120.64 115.54 1nam n GLU 83 Ca 0.08 0.04 0.15 0.00 -0.16 0.00 0.00 57.16 57.27 1nam n GLU 83 Cb 0.12 -1.50 0.87 0.00 1.43 0.00 0.00 31.44 32.36 1nam n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nam n ASP 84 N -1.08 0.23 -4.64 -1.84 8.00 -0.38 -4.82 116.55 112.02 1nam n ASP 84 Ca 0.11 -1.10 -0.43 0.00 0.71 0.00 0.00 54.79 54.09 1nam n ASP 84 Cb 0.07 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1nam n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nam s SER 85 N -1.98 6.90 0.00 -2.24 0.01 -0.94 -4.90 113.70 110.55 1nam s SER 85 Ca 0.46 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1nam s SER 85 Cb 0.21 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1nam s SER 85 CO 0.36 -0.71 0.00 0.00 0.41 0.00 0.00 173.24 173.29 1nam n ALA 86 N 6.45 0.00 -2.74 1.44 0.00 -1.03 -4.85 120.51 119.78 1nam n ALA 86 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 1nam n ALA 86 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1nam n ALA 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nam s VAL 87 N -2.52 5.35 -0.20 0.00 1.01 -0.90 -0.04 120.40 123.11 1nam s VAL 87 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1nam s VAL 87 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1nam s VAL 87 CO 0.00 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.28 1nam s TYR 88 N -0.34 3.00 -0.14 5.22 2.02 0.17 -0.51 117.35 126.78 1nam s TYR 88 Ca 0.16 -0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 56.23 1nam s TYR 88 Cb -0.13 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1nam s TYR 88 CO 0.04 -0.31 0.01 -0.06 -1.57 0.00 0.00 175.55 173.66 1nam s PHE 89 N 1.07 3.14 -0.16 2.71 0.40 0.15 -1.41 117.98 123.88 1nam s PHE 89 Ca 0.02 -0.03 -0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1nam s PHE 89 Cb -0.14 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1nam s PHE 89 CO 0.01 0.18 0.07 0.00 0.70 0.00 0.00 175.22 176.18 1nam s ALA 91 N 0.05 0.70 -0.05 0.00 0.00 0.16 -1.35 121.76 121.27 1nam s ALA 91 Ca 0.06 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 1nam s ALA 91 Cb -0.12 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1nam s ALA 91 CO 0.01 -0.42 0.19 1.41 0.00 0.00 0.00 175.76 176.95 1nam s MET 92 N -3.97 0.34 -0.16 0.00 1.75 -0.60 0.55 119.30 117.21 1nam s MET 92 Ca 0.15 0.03 -0.29 0.00 -1.25 0.00 0.00 55.69 54.33 1nam s MET 92 Cb 0.08 0.15 -0.03 0.00 2.84 0.00 0.00 34.83 37.87 1nam s MET 92 CO -0.04 -0.07 1.51 1.03 -0.65 0.00 0.00 175.02 176.80 1nam s ARG 93 N -0.46 4.04 -0.94 4.11 1.81 -0.68 -0.83 118.95 125.99 1nam s ARG 93 Ca -0.06 1.80 -0.24 0.00 -1.72 0.00 0.00 55.73 55.51 1nam s ARG 93 Cb -0.04 -3.94 0.05 0.00 -0.45 0.00 0.00 34.95 30.57 1nam s ARG 93 CO 0.01 -0.99 1.38 0.20 -0.68 0.00 0.00 175.30 175.22 1nam s GLY 95 N 3.27 1.21 0.00 -3.53 0.00 0.78 -4.78 107.32 104.27 1nam s GLY 95 Ca 0.67 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1nam s GLY 95 CO 0.25 2.63 0.00 2.09 0.00 0.00 0.00 173.10 178.07 1nam n ASP 96 N 8.86 0.00 -4.69 1.64 5.75 -1.26 -4.67 116.55 122.18 1nam n ASP 96 Ca 0.24 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.60 1nam n ASP 96 Cb 0.50 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.56 1nam n ASP 96 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1nam s TYR 97 N 0.00 2.47 0.00 2.11 5.04 -1.26 -4.94 117.35 120.76 1nam s TYR 97 Ca 0.00 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1nam s TYR 97 Cb 0.00 -3.93 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1nam s TYR 97 CO 0.00 -3.71 0.00 0.41 -1.34 0.00 0.00 175.55 170.91 1nam n GLY 98 N 3.96 -0.07 5.00 8.97 0.00 -1.26 -5.03 105.19 116.76 1nam n GLY 98 Ca 0.16 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1nam n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nam n GLY 99 N 0.00 -0.21 0.00 -0.02 0.00 -1.26 -4.62 105.19 99.09 1nam n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nam n GLY 99 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nam n SER 100 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.88 113.62 112.50 1nam n SER 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nam n SER 100 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1nam n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nam n GLY 101 N -0.69 1.11 2.73 5.00 0.00 -1.26 -4.76 105.19 107.32 1nam n GLY 101 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1nam n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nam n ASN 102 N 0.45 4.03 -4.41 1.61 4.13 -1.26 -5.02 115.26 114.79 1nam n ASN 102 Ca 0.00 -3.57 -0.44 0.00 1.68 0.00 0.00 54.58 52.25 1nam n ASN 102 Cb 0.00 -0.60 -0.06 0.00 -1.54 0.00 0.00 39.78 37.58 1nam n ASN 102 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1nam s LYS 103 N -3.09 3.07 0.00 3.52 2.20 -1.26 -5.01 119.74 119.17 1nam s LYS 103 Ca 0.46 -1.12 -0.19 0.00 -0.36 0.00 0.00 55.97 54.75 1nam s LYS 103 Cb 0.24 -4.15 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 1nam s LYS 103 CO -0.10 -1.25 0.56 -0.51 -0.36 0.00 0.00 175.35 173.70 1nam s LEU 104 N 2.36 4.44 -0.20 5.43 1.43 -1.26 0.27 118.68 131.15 1nam s LEU 104 Ca 0.11 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.30 1nam s LEU 104 Cb -0.22 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1nam s LEU 104 CO 0.09 0.16 -0.02 -0.63 0.23 0.00 0.00 176.35 176.18 1nam s ILE 105 N -0.43 3.71 0.06 -0.59 -1.09 -0.01 -4.84 121.20 118.02 1nam s ILE 105 Ca 0.29 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1nam s ILE 105 Cb -0.18 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1nam s ILE 105 CO 0.17 0.43 0.09 -0.36 -1.23 0.00 0.00 174.94 174.03 1nam s PHE 106 N 1.13 3.23 0.90 3.97 0.40 -1.26 -1.56 117.98 124.78 1nam s PHE 106 Ca 0.02 0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 1nam s PHE 106 Cb -0.14 -1.65 0.18 0.00 0.51 0.00 0.00 43.02 41.92 1nam s PHE 106 CO 0.01 0.53 1.23 0.20 0.70 0.00 0.00 175.22 177.89 1nam s GLY 107 N -2.28 1.78 0.04 4.36 0.00 -0.46 -4.74 107.32 106.02 1nam s GLY 107 Ca 0.29 -1.40 0.26 0.00 0.00 0.00 0.00 44.72 43.86 1nam s GLY 107 CO 0.21 -0.67 1.81 -1.30 0.00 0.00 0.00 173.10 173.15 1nam n THR 108 N -3.50 0.30 0.00 0.90 -2.24 -1.26 -4.78 114.28 103.70 1nam n THR 108 Ca 0.16 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1nam n THR 108 Cb 0.60 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1nam n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nam n GLY 109 N 1.13 -1.17 3.00 3.38 0.00 -1.26 -5.03 105.19 105.23 1nam n GLY 109 Ca 0.06 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1nam n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nam s THR 110 N -3.17 1.02 0.11 2.61 2.01 -0.50 -4.72 115.64 113.00 1nam s THR 110 Ca 0.00 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.31 1nam s THR 110 Cb 0.00 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 1nam s THR 110 CO 0.00 0.33 0.87 -0.22 -0.69 0.00 0.00 174.62 174.91 1nam s LEU 111 N 0.72 4.51 -0.17 4.42 2.96 0.20 0.44 118.68 131.75 1nam s LEU 111 Ca -0.14 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1nam s LEU 111 Cb -0.16 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1nam s LEU 111 CO 0.03 0.02 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.68 1nam s LEU 112 N -0.27 1.96 -0.24 -0.68 2.96 0.95 -0.33 118.68 123.03 1nam s LEU 112 Ca 0.42 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1nam s LEU 112 Cb -0.23 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1nam s LEU 112 CO 0.27 -0.03 0.06 -0.55 -1.32 0.00 0.00 176.35 174.79 1nam s SER 113 N 1.37 5.17 -0.34 3.68 0.15 0.11 -2.46 113.70 121.38 1nam s SER 113 Ca 0.05 -0.17 -0.07 0.00 0.70 0.00 0.00 55.95 56.45 1nam s SER 113 Cb -0.13 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1nam s SER 113 CO -0.12 -0.00 0.12 -0.69 1.20 0.00 0.00 173.24 173.75 1nam s VAL 114 N 1.42 3.95 -0.02 4.45 1.01 -1.26 -0.64 120.40 129.31 1nam s VAL 114 Ca 0.05 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1nam s VAL 114 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1nam s VAL 114 CO 0.03 -0.17 0.73 -0.54 0.00 0.00 0.00 175.10 175.16 1nam s LYS 115 N 1.44 4.46 0.00 2.72 3.01 0.86 -4.76 119.74 127.46 1nam s LYS 115 Ca -0.01 0.97 0.27 0.00 -1.01 0.00 0.00 55.97 56.19 1nam s LYS 115 Cb -0.19 -3.41 1.58 0.00 -1.01 0.00 0.00 37.83 34.80 1nam s LYS 115 CO 0.04 0.15 1.93 -0.35 0.51 0.00 0.00 175.35 177.63