#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duk s ARG 2 N 0.00 2.77 -0.03 1.09 1.70 -1.26 -4.52 118.95 118.69 2duk s ARG 2 Ca 0.00 -1.19 -0.19 0.00 -0.47 0.00 0.00 55.73 53.88 2duk s ARG 2 Cb 0.00 -2.72 0.04 0.00 -0.57 0.00 0.00 34.95 31.70 2duk s ARG 2 CO 0.00 -0.36 0.42 -0.08 -1.08 0.00 0.00 175.30 174.20 2duk s THR 3 N -2.42 0.04 -0.06 4.99 -1.32 -1.25 -4.70 115.64 110.91 2duk s THR 3 Ca 0.56 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.71 2duk s THR 3 Cb -0.10 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.19 2duk s THR 3 CO 0.34 -0.18 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.21 2duk s TYR 4 N -1.25 0.89 1.02 9.09 1.51 -1.26 -1.41 117.35 125.94 2duk s TYR 4 Ca -0.12 -0.29 -0.21 0.00 -1.01 0.00 0.00 57.07 55.43 2duk s TYR 4 Cb -0.04 -0.79 -0.08 0.00 -0.11 0.00 0.00 41.96 40.94 2duk s TYR 4 CO 0.06 -0.25 -0.75 -3.47 -1.11 0.00 0.00 175.55 170.02 2duk n ASP 5 N 4.29 -3.47 0.00 2.29 4.64 0.61 -4.83 116.55 120.08 2duk n ASP 5 Ca -0.20 0.06 0.05 0.00 -1.38 0.00 0.00 54.79 53.32 2duk n ASP 5 Cb 0.51 -0.76 0.30 0.00 -1.04 0.00 0.00 41.12 40.12 2duk n ASP 5 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 2duk n ARG 6 N 0.86 0.27 -0.07 -0.67 0.00 -1.26 -3.07 116.66 112.72 2duk n ARG 6 Ca -0.00 0.07 0.04 0.00 -0.00 0.00 0.00 57.85 57.96 2duk n ARG 6 Cb 0.65 -1.50 0.06 0.00 -0.00 0.00 0.00 32.46 31.67 2duk n ARG 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2duk n GLU 7 N -1.11 1.79 0.00 2.89 1.02 -1.26 -4.98 120.64 118.99 2duk n GLU 7 Ca 0.07 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 2duk n GLU 7 Cb 0.05 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2duk n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2duk n GLY 8 N -0.83 1.43 3.72 0.62 0.00 -1.17 -5.03 105.19 103.92 2duk n GLY 8 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2duk n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2duk s PHE 9 N -2.34 3.13 0.01 1.61 0.08 -1.26 -4.83 117.98 114.37 2duk s PHE 9 Ca 0.00 0.74 -0.30 0.00 0.12 0.00 0.00 56.93 57.49 2duk s PHE 9 Cb 0.00 -3.84 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 2duk s PHE 9 CO 0.00 -3.06 0.97 0.21 -0.10 0.00 0.00 175.22 173.24 2duk s LYS 10 N 1.11 4.57 -0.06 0.44 2.20 -0.59 -0.28 119.74 127.13 2duk s LYS 10 Ca 0.68 1.41 -0.24 0.00 -0.36 0.00 0.00 55.97 57.46 2duk s LYS 10 Cb -0.41 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2duk s LYS 10 CO 0.31 -0.01 0.73 0.15 -0.36 0.00 0.00 175.35 176.17 2duk s LYS 11 N 0.87 4.45 0.17 4.03 1.02 -0.50 -0.73 119.74 129.05 2duk s LYS 11 Ca 0.51 0.94 0.02 0.00 0.02 0.00 0.00 55.97 57.46 2duk s LYS 11 Cb -0.21 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 2duk s LYS 11 CO 0.28 0.06 -0.01 1.03 -0.92 0.00 0.00 175.35 175.79 2duk s ARG 12 N 0.81 1.09 -0.03 1.68 0.52 -0.99 -0.80 118.95 121.23 2duk s ARG 12 Ca 0.39 -1.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2duk s ARG 12 Cb -0.18 -0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.02 2duk s ARG 12 CO 0.19 -0.11 -0.02 0.00 0.02 0.00 0.00 175.30 175.38 2duk s ALA 13 N -3.63 0.40 0.14 2.13 0.00 0.15 -0.32 121.76 120.62 2duk s ALA 13 Ca 0.23 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2duk s ALA 13 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2duk s ALA 13 CO 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 175.76 175.73 2duk s ALA 14 N 0.81 1.19 -0.10 0.00 0.00 0.12 -2.38 121.76 121.41 2duk s ALA 14 Ca -0.09 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2duk s ALA 14 Cb -0.12 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2duk s ALA 14 CO -0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 175.76 175.35 2duk s LEU 16 N 0.99 3.42 -0.23 0.00 1.43 -0.84 -4.40 118.68 119.05 2duk s LEU 16 Ca -0.07 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 53.79 2duk s LEU 16 Cb -0.15 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 2duk s LEU 16 CO -0.01 -2.04 0.72 0.00 0.23 0.00 0.00 176.35 175.25 2duk s PHE 18 N 2.49 2.54 -0.26 0.00 0.08 0.78 -0.55 117.98 123.06 2duk s PHE 18 Ca 0.31 -0.45 0.22 0.00 0.12 0.00 0.00 56.93 57.13 2duk s PHE 18 Cb -0.16 -1.50 -0.13 0.00 -0.57 0.00 0.00 43.02 40.66 2duk s PHE 18 CO 0.09 0.48 0.81 2.89 -0.10 0.00 0.00 175.22 179.38 2duk n ARG 19 N -0.95 0.54 -3.91 0.44 1.85 -1.23 0.12 116.66 113.52 2duk n ARG 19 Ca -0.04 -0.04 -0.09 0.00 -1.00 0.00 0.00 57.85 56.68 2duk n ARG 19 Cb 0.63 -1.64 -0.02 0.00 -1.05 0.00 0.00 32.46 30.37 2duk n ARG 19 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2duk s SER 20 N -4.64 -0.02 0.00 2.89 0.15 -1.26 -4.73 113.70 106.09 2duk s SER 20 Ca -0.02 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2duk s SER 20 Cb 0.13 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 2duk s SER 20 CO 0.84 -1.38 0.48 -1.84 1.20 0.00 0.00 173.24 172.54 2duk n GLU 21 N -0.47 0.56 -2.30 5.44 0.28 -1.26 -3.21 120.64 119.69 2duk n GLU 21 Ca -0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.79 2duk n GLU 21 Cb 0.60 -1.08 0.03 0.00 1.43 0.00 0.00 31.44 32.42 2duk n GLU 21 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2duk n GLN 22 N -0.28 3.00 -1.88 3.44 1.13 -1.26 -5.09 117.38 116.44 2duk n GLN 22 Ca 0.00 -3.97 -0.06 0.00 -1.94 0.00 0.00 57.00 51.03 2duk n GLN 22 Cb 0.04 -2.06 0.01 0.00 0.11 0.00 0.00 30.24 28.34 2duk n GLN 22 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2duk n GLU 23 N -0.65 -0.37 0.00 -1.09 0.28 -1.20 -4.91 120.64 112.70 2duk n GLU 23 Ca 0.32 0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.77 2duk n GLU 23 Cb 0.90 -0.60 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2duk n GLU 23 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2duk n ASP 24 N 1.09 1.72 -3.67 -1.84 10.43 -1.26 -4.93 116.55 118.10 2duk n ASP 24 Ca -0.01 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.10 2duk n ASP 24 Cb 0.26 0.29 -0.17 0.00 1.84 0.00 0.00 41.12 43.34 2duk n ASP 24 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2duk s GLU 25 N -0.88 0.21 0.52 -1.24 2.02 -1.26 0.35 118.70 118.41 2duk s GLU 25 Ca 0.00 -0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.04 2duk s GLU 25 Cb 0.00 -1.50 0.05 0.00 0.10 0.00 0.00 34.13 32.78 2duk s GLU 25 CO 0.00 -0.55 0.71 0.14 0.02 0.00 0.00 175.26 175.58 2duk s VAL 26 N 2.07 2.57 -0.21 2.63 -7.23 -0.51 -3.53 120.40 116.19 2duk s VAL 26 Ca 0.02 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 2duk s VAL 26 Cb -0.15 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.17 2duk s VAL 26 CO -0.07 0.00 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.38 2duk s LEU 27 N -4.58 2.68 0.04 1.32 2.96 0.28 -1.04 118.68 120.34 2duk s LEU 27 Ca 0.59 -0.69 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2duk s LEU 27 Cb -0.08 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2duk s LEU 27 CO 0.37 -0.05 0.06 -0.76 -1.32 0.00 0.00 176.35 174.65 2duk s LEU 28 N 1.34 3.75 0.09 -0.68 1.43 -0.95 -4.39 118.68 119.27 2duk s LEU 28 Ca 0.03 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.25 2duk s LEU 28 Cb -0.15 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2duk s LEU 28 CO -0.08 0.23 -0.20 0.68 0.23 0.00 0.00 176.35 177.21 2duk s VAL 29 N -1.26 2.68 0.46 -1.59 -7.23 -0.68 -1.85 120.40 110.93 2duk s VAL 29 Ca 0.25 -1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 58.74 2duk s VAL 29 Cb -0.12 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 2duk s VAL 29 CO 0.17 0.19 1.26 -0.94 -0.31 0.00 0.00 175.10 175.47 2duk s SER 30 N -1.85 6.04 0.34 4.85 1.04 -0.22 -0.27 113.70 123.62 2duk s SER 30 Ca 0.16 2.54 -0.28 0.00 0.48 0.00 0.00 55.95 58.85 2duk s SER 30 Cb -0.10 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.27 2duk s SER 30 CO 0.07 -1.03 1.41 -0.24 0.98 0.00 0.00 173.24 174.44 2duk n SER 31 N -0.35 3.28 0.14 7.02 2.88 0.26 -4.76 113.62 122.09 2duk n SER 31 Ca 0.06 1.20 -0.01 0.00 -1.33 0.00 0.00 58.87 58.80 2duk n SER 31 Cb 0.46 -1.54 0.24 0.00 -0.75 0.00 0.00 64.21 62.61 2duk n SER 31 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2duk h SER 32 N 3.07 0.07 0.00 -3.46 0.87 -1.93 -3.15 113.55 109.03 2duk h SER 32 Ca -0.48 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2duk h SER 32 Cb 1.26 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2duk h SER 32 CO 0.66 0.56 -1.83 -2.11 -0.53 0.00 0.00 176.83 173.58 2duk n ARG 33 N -3.95 0.60 -3.77 2.24 1.85 -1.26 -4.71 116.66 107.67 2duk n ARG 33 Ca -0.02 -0.17 -0.28 0.00 -1.00 0.00 0.00 57.85 56.39 2duk n ARG 33 Cb 0.52 -1.47 -0.12 0.00 -1.05 0.00 0.00 32.46 30.34 2duk n ARG 33 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2duk s TYR 34 N -3.33 2.76 0.48 2.89 2.02 -1.19 -4.98 117.35 115.99 2duk s TYR 34 Ca -0.06 -2.97 0.31 0.00 -0.37 0.00 0.00 57.07 53.98 2duk s TYR 34 Cb 0.13 -2.21 1.40 0.00 -0.40 0.00 0.00 41.96 40.87 2duk s TYR 34 CO 0.82 -0.66 1.74 -1.00 -1.57 0.00 0.00 175.55 174.89 2duk h PRO 35 N 5.76 0.14 0.00 -1.71 0.13 -1.83 0.43 132.00 134.92 2duk h PRO 35 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2duk h PRO 35 Cb 0.83 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2duk h PRO 35 CO 0.61 0.09 0.00 -0.44 -0.23 0.00 0.00 178.00 178.03 2duk h ASP 36 N 0.15 0.00 -3.56 1.44 3.32 -1.94 -3.41 116.42 112.41 2duk h ASP 36 Ca 0.65 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 57.19 2duk h ASP 36 Cb 2.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.73 2duk h ASP 36 CO -0.17 0.00 0.02 -1.10 -1.72 0.00 0.00 179.24 176.26 2duk s GLN 37 N -3.44 3.81 0.02 3.56 -1.52 0.15 -4.97 119.66 117.27 2duk s GLN 37 Ca 0.04 0.40 0.07 0.00 -1.95 0.00 0.00 55.36 53.92 2duk s GLN 37 Cb 0.09 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 30.35 2duk s GLN 37 CO 0.50 0.13 -0.21 -1.58 -0.25 0.00 0.00 175.29 173.88 2duk s TRP 38 N -2.11 2.49 -0.12 0.91 0.52 -1.26 -0.58 118.94 118.79 2duk s TRP 38 Ca 0.50 -0.31 -0.14 0.00 0.02 0.00 0.00 56.10 56.17 2duk s TRP 38 Cb -0.11 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.77 2duk s TRP 38 CO 0.25 0.16 0.38 0.96 0.02 0.00 0.00 176.95 178.72 2duk s ILE 39 N -0.81 0.01 0.21 2.03 -5.25 0.63 -4.75 121.20 113.26 2duk s ILE 39 Ca 0.13 -0.07 -0.32 0.00 -0.99 0.00 0.00 60.65 59.39 2duk s ILE 39 Cb -0.10 -0.55 -0.12 0.00 2.95 0.00 0.00 42.46 44.63 2duk s ILE 39 CO 0.03 -0.04 1.67 1.33 -1.79 0.00 0.00 174.94 176.14 2duk n VAL 40 N 2.61 0.12 -2.05 8.37 0.24 -1.26 -1.69 118.33 124.67 2duk n VAL 40 Ca -0.14 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 2duk n VAL 40 Cb 0.57 -1.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.04 2duk n VAL 40 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2duk s PRO 41 N 0.91 4.29 0.00 7.34 0.04 -1.26 -4.92 135.00 141.40 2duk s PRO 41 Ca 0.75 2.25 0.00 0.00 0.04 0.00 0.00 61.00 64.03 2duk s PRO 41 Cb -0.55 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2duk s PRO 41 CO 0.35 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2duk n GLY 42 N 2.39 0.45 0.00 0.56 0.00 -1.26 -3.13 105.19 104.20 2duk n GLY 42 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2duk n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2duk n GLY 43 N -0.31 1.33 3.75 -0.02 0.00 -1.00 -4.98 105.19 103.95 2duk n GLY 43 Ca 0.00 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 2duk n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2duk s GLY 44 N -1.80 2.78 0.42 -0.02 0.00 -1.26 -0.67 107.32 106.77 2duk s GLY 44 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.71 2duk s GLY 44 CO 0.00 1.01 1.46 1.03 0.00 0.00 0.00 173.10 176.60 2duk n MET 45 N 2.62 2.43 -2.59 2.90 0.00 0.02 -4.85 117.12 117.64 2duk n MET 45 Ca -0.04 0.86 -0.25 0.00 0.00 0.00 0.00 57.70 58.27 2duk n MET 45 Cb 0.50 -2.65 0.02 0.00 0.00 0.00 0.00 33.22 31.09 2duk n MET 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2duk s GLU 46 N -2.33 2.99 0.00 0.03 2.02 -1.26 -3.94 118.70 116.21 2duk s GLU 46 Ca 0.58 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2duk s GLU 46 Cb -0.46 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2duk s GLU 46 CO 0.60 -0.54 0.00 -2.30 0.02 0.00 0.00 175.26 173.04 2duk n PRO 47 N -2.41 0.00 -3.45 0.39 -0.02 -1.26 -2.45 135.00 125.80 2duk n PRO 47 Ca 0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.25 2duk n PRO 47 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.96 2duk n PRO 47 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2duk n GLU 48 N -0.37 1.33 -4.82 -0.52 0.28 -1.26 -5.01 120.64 110.27 2duk n GLU 48 Ca 0.00 -3.88 -0.33 0.00 -0.16 0.00 0.00 57.16 52.79 2duk n GLU 48 Cb 0.00 -1.83 -0.14 0.00 1.43 0.00 0.00 31.44 30.90 2duk n GLU 48 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2duk s GLU 49 N -1.32 2.94 0.42 3.44 2.12 -1.03 -5.12 118.70 120.15 2duk s GLU 49 Ca 0.34 -0.68 -0.23 0.00 0.36 0.00 0.00 54.97 54.75 2duk s GLU 49 Cb 0.09 -2.51 -0.09 0.00 0.26 0.00 0.00 34.13 31.88 2duk s GLU 49 CO -0.12 0.43 1.04 -1.21 -0.54 0.00 0.00 175.26 174.87 2duk s GLU 50 N -0.22 4.08 0.27 4.30 2.02 -1.26 -4.79 118.70 123.10 2duk s GLU 50 Ca 0.01 1.47 -0.02 0.00 0.02 0.00 0.00 54.97 56.45 2duk s GLU 50 Cb -0.13 -2.43 0.43 0.00 0.10 0.00 0.00 34.13 32.10 2duk s GLU 50 CO 0.03 -0.20 1.88 -1.00 0.02 0.00 0.00 175.26 175.99 2duk h PRO 51 N 2.27 1.12 -0.66 0.39 0.13 -1.98 0.36 132.00 133.64 2duk h PRO 51 Ca -0.49 -0.07 0.14 0.00 -0.87 0.00 0.00 66.00 64.72 2duk h PRO 51 Cb 1.22 -0.25 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 2duk h PRO 51 CO 0.61 0.74 -0.00 0.78 -0.23 0.00 0.00 178.00 179.91 2duk h GLY 52 N 1.16 0.70 0.90 1.56 0.00 -1.95 0.92 103.07 106.35 2duk h GLY 52 Ca 0.44 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.78 2duk h GLY 52 CO -0.18 -0.22 -0.10 -1.33 0.00 0.00 0.00 176.54 174.71 2duk h GLY 53 N 0.11 0.64 1.02 4.60 0.00 -0.79 -2.20 103.07 106.45 2duk h GLY 53 Ca 0.35 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2duk h GLY 53 CO -0.57 0.50 0.16 0.00 0.00 0.00 0.00 176.54 176.63 2duk h ALA 54 N 0.78 0.81 -0.00 3.60 0.00 -0.26 -0.17 119.26 124.01 2duk h ALA 54 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2duk h ALA 54 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2duk h ALA 54 CO 0.03 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 2duk h ALA 55 N 1.05 -0.07 -0.17 0.00 0.00 0.89 0.67 119.26 121.63 2duk h ALA 55 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2duk h ALA 55 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2duk h ALA 55 CO 0.00 -0.56 0.09 0.28 0.00 0.00 0.00 179.25 179.05 2duk h VAL 56 N -0.12 1.12 -0.35 0.00 2.07 -1.29 -1.00 116.25 116.67 2duk h VAL 56 Ca 0.03 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2duk h VAL 56 Cb 0.16 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2duk h VAL 56 CO -0.07 0.11 -0.05 -0.09 0.02 0.00 0.00 177.57 177.48 2duk h ARG 57 N 0.16 0.58 0.50 1.57 2.43 -0.93 -1.98 114.38 116.70 2duk h ARG 57 Ca 0.06 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2duk h ARG 57 Cb 0.10 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2duk h ARG 57 CO -0.01 0.64 -0.24 0.93 -1.51 0.00 0.00 179.97 179.78 2duk h GLU 58 N 0.54 -0.65 -0.96 0.20 4.39 -0.35 -1.57 114.58 116.19 2duk h GLU 58 Ca 0.11 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.99 2duk h GLU 58 Cb 0.43 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.14 2duk h GLU 58 CO 0.02 -0.37 0.58 0.28 -1.16 0.00 0.00 179.01 178.36 2duk h VAL 59 N -0.82 0.85 0.33 3.13 2.07 -1.18 0.84 116.25 121.47 2duk h VAL 59 Ca -0.07 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2duk h VAL 59 Cb 0.58 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2duk h VAL 59 CO 0.11 0.16 -0.16 0.22 0.02 0.00 0.00 177.57 177.92 2duk h TYR 60 N 0.88 -0.41 -0.23 1.57 5.03 -1.20 -1.80 116.97 120.81 2duk h TYR 60 Ca 0.49 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.74 2duk h TYR 60 Cb 0.57 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 2duk h TYR 60 CO -0.02 -0.24 -0.08 0.93 -1.32 0.00 0.00 178.16 177.43 2duk h GLU 61 N -0.47 0.46 0.00 1.82 5.08 -0.92 -1.91 114.58 118.64 2duk h GLU 61 Ca -0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2duk h GLU 61 Cb 0.36 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2duk h GLU 61 CO 0.07 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.19 2duk n GLU 62 N -4.55 0.00 0.07 2.33 4.71 0.29 -4.22 120.64 119.27 2duk n GLU 62 Ca -0.04 0.00 0.20 0.00 -0.01 0.00 0.00 57.16 57.30 2duk n GLU 62 Cb 0.31 -0.46 0.74 0.00 -1.01 0.00 0.00 31.44 31.02 2duk n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2duk h ALA 63 N -2.00 2.25 -2.93 0.62 0.00 -1.54 -3.47 119.26 112.18 2duk h ALA 63 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2duk h ALA 63 Cb 0.00 0.03 0.05 0.00 0.00 0.00 0.00 17.79 17.87 2duk h ALA 63 CO 0.00 -0.58 -0.24 0.41 0.00 0.00 0.00 179.25 178.84 2duk n GLY 64 N -1.55 0.30 3.34 0.00 0.00 -0.72 -4.95 105.19 101.61 2duk n GLY 64 Ca 0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 2duk n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2duk s VAL 65 N -3.11 0.56 -0.03 1.61 -7.23 -1.22 -1.34 120.40 109.64 2duk s VAL 65 Ca 0.09 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 2duk s VAL 65 Cb -0.04 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.30 2duk s VAL 65 CO 0.24 0.00 0.08 -0.75 -0.31 0.00 0.00 175.10 174.36 2duk s LYS 66 N -3.97 0.08 0.31 4.82 2.36 0.44 -3.74 119.74 120.04 2duk s LYS 66 Ca 0.37 0.14 -0.18 0.00 -2.55 0.00 0.00 55.97 53.75 2duk s LYS 66 Cb 0.07 -0.01 0.06 0.00 -1.05 0.00 0.00 37.83 36.91 2duk s LYS 66 CO 0.15 -0.04 0.88 0.20 1.55 0.00 0.00 175.35 178.08 2duk s GLY 67 N 0.26 0.28 -0.84 5.54 0.00 -1.26 -0.59 107.32 110.70 2duk s GLY 67 Ca -0.02 -0.60 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 2duk s GLY 67 CO -0.01 0.70 1.18 1.25 0.00 0.00 0.00 173.10 176.22 2duk s LYS 68 N -2.26 3.39 -0.66 2.90 2.20 -0.59 -4.86 119.74 119.88 2duk s LYS 68 Ca 0.18 -1.11 -0.36 0.00 -0.36 0.00 0.00 55.97 54.32 2duk s LYS 68 Cb -0.04 -4.71 -0.18 0.00 -1.51 0.00 0.00 37.83 31.39 2duk s LYS 68 CO 0.09 -1.95 2.39 1.47 -0.36 0.00 0.00 175.35 176.99 2duk n LEU 69 N 7.88 0.98 0.00 5.43 -0.00 -1.26 -2.83 117.00 127.19 2duk n LEU 69 Ca 0.15 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 2duk n LEU 69 Cb 0.48 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 42.86 2duk n LEU 69 CO 0.61 -0.82 0.00 0.61 -0.00 0.00 0.00 177.39 177.79 2duk n GLY 70 N 6.81 1.65 3.89 1.47 0.00 -0.54 -5.00 105.19 113.46 2duk n GLY 70 Ca 0.55 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 2duk n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2duk s ARG 71 N 2.96 1.66 -0.27 1.61 1.70 -1.25 -4.58 118.95 120.78 2duk s ARG 71 Ca 0.00 0.07 -0.15 0.00 -0.47 0.00 0.00 55.73 55.18 2duk s ARG 71 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 2duk s ARG 71 CO 0.00 -1.80 0.36 -1.17 -1.08 0.00 0.00 175.30 171.61 2duk s LEU 72 N -5.69 4.04 -0.08 -1.89 2.96 -1.26 -1.05 118.68 115.70 2duk s LEU 72 Ca 0.64 0.28 0.09 0.00 -0.22 0.00 0.00 54.13 54.92 2duk s LEU 72 Cb -0.11 -2.40 0.41 0.00 0.50 0.00 0.00 46.19 44.59 2duk s LEU 72 CO 0.50 -0.17 1.22 0.00 -1.32 0.00 0.00 176.35 176.59 2duk n LEU 73 N 5.26 3.04 0.00 -0.68 -0.00 -0.84 -5.01 117.00 118.78 2duk n LEU 73 Ca -0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 56.01 54.39 2duk n LEU 73 Cb 0.51 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2duk n LEU 73 CO 0.37 0.49 0.00 0.61 -0.00 0.00 0.00 177.39 178.86 2duk n GLY 74 N 0.64 2.57 3.28 1.47 0.00 -1.26 -5.00 105.19 106.89 2duk n GLY 74 Ca 0.14 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 2duk n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2duk s ILE 75 N -2.03 3.64 -0.01 -0.61 2.07 -1.26 -2.96 121.20 120.05 2duk s ILE 75 Ca 0.00 -1.00 -0.08 0.00 -1.41 0.00 0.00 60.65 58.16 2duk s ILE 75 Cb 0.00 -2.98 -0.05 0.00 0.13 0.00 0.00 42.46 39.56 2duk s ILE 75 CO 0.00 -0.04 0.28 -0.36 -1.91 0.00 0.00 174.94 172.91 2duk s PHE 76 N 1.41 3.60 0.21 3.50 0.08 -0.80 -4.89 117.98 121.09 2duk s PHE 76 Ca -0.00 0.64 0.09 0.00 0.12 0.00 0.00 56.93 57.78 2duk s PHE 76 Cb -0.18 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 2duk s PHE 76 CO 0.01 0.63 -0.09 -1.83 -0.10 0.00 0.00 175.22 173.84 2duk s GLU 77 N -1.59 2.04 -0.56 0.44 -1.05 -1.26 -1.33 118.70 115.40 2duk s GLU 77 Ca 0.26 -1.37 0.03 0.00 -0.15 0.00 0.00 54.97 53.74 2duk s GLU 77 Cb -0.13 -2.10 0.14 0.00 -0.44 0.00 0.00 34.13 31.59 2duk s GLU 77 CO 0.14 0.41 0.31 1.21 0.95 0.00 0.00 175.26 178.28 2duk s ASN 78 N -3.08 4.49 0.12 0.83 3.04 -0.67 -4.98 114.94 114.70 2duk s ASN 78 Ca 0.27 -3.09 -0.31 0.00 0.04 0.00 0.00 52.86 49.76 2duk s ASN 78 Cb -0.08 -1.67 -0.09 0.00 -1.54 0.00 0.00 41.25 37.87 2duk s ASN 78 CO 0.16 -0.23 1.57 1.56 -3.04 0.00 0.00 177.10 177.12 2duk h GLN 79 N 6.44 -0.53 -6.45 0.43 4.20 -1.95 -2.92 115.11 114.33 2duk h GLN 79 Ca -0.05 0.04 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 2duk h GLN 79 Cb 0.88 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 2duk h GLN 79 CO 0.70 -0.36 1.10 0.34 -0.67 0.00 0.00 178.83 179.94 2duk s ASP 80 N -4.85 6.19 -0.02 1.46 -1.08 -1.26 -2.93 116.67 114.19 2duk s ASP 80 Ca -0.16 0.53 -0.01 0.00 -0.52 0.00 0.00 52.55 52.40 2duk s ASP 80 Cb 0.08 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2duk s ASP 80 CO 0.63 -1.61 0.02 -1.14 0.52 0.00 0.00 175.17 173.59 2duk n ARG 81 N 8.42 -0.09 -2.55 4.34 0.63 -1.25 -4.91 116.66 121.24 2duk n ARG 81 Ca 0.15 0.56 -0.41 0.00 -0.92 0.00 0.00 57.85 57.22 2duk n ARG 81 Cb 0.49 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 2duk n ARG 81 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2duk s LYS 82 N -1.06 3.40 0.15 -0.14 -2.85 -1.12 -4.65 119.74 113.47 2duk s LYS 82 Ca 0.01 -0.70 0.03 0.00 -1.00 0.00 0.00 55.97 54.31 2duk s LYS 82 Cb -0.00 -4.80 -0.04 0.00 -2.06 0.00 0.00 37.83 30.93 2duk s LYS 82 CO 0.03 -2.18 0.25 -1.01 0.10 0.00 0.00 175.35 172.53 2duk s HIS 83 N 5.35 3.40 -0.32 1.78 3.76 -1.12 -1.54 115.29 126.61 2duk s HIS 83 Ca 0.41 0.09 -0.01 0.00 -0.15 0.00 0.00 55.06 55.40 2duk s HIS 83 Cb -0.04 -1.63 0.10 0.00 1.11 0.00 0.00 32.58 32.12 2duk s HIS 83 CO 0.02 0.52 0.11 1.03 -0.85 0.00 0.00 174.74 175.56 2duk s ARG 84 N -3.19 0.73 -0.25 1.40 0.52 0.09 -1.66 118.95 116.59 2duk s ARG 84 Ca 0.34 -1.11 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 2duk s ARG 84 Cb -0.11 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 2duk s ARG 84 CO 0.27 -1.00 0.16 -0.08 0.02 0.00 0.00 175.30 174.67 2duk s THR 85 N 1.55 5.21 -0.17 0.02 -1.32 -0.44 -2.34 115.64 118.15 2duk s THR 85 Ca 0.10 0.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.42 2duk s THR 85 Cb -0.18 -3.45 -0.02 0.00 -1.51 0.00 0.00 72.50 67.35 2duk s THR 85 CO -0.24 0.31 1.36 -0.31 -2.21 0.00 0.00 174.62 173.54 2duk s TYR 86 N 1.35 2.62 -0.15 9.09 1.51 0.56 -1.89 117.35 130.43 2duk s TYR 86 Ca 0.07 0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 56.91 2duk s TYR 86 Cb -0.15 -3.67 -0.03 0.00 -0.11 0.00 0.00 41.96 38.01 2duk s TYR 86 CO 0.07 -2.17 -0.04 0.08 -1.11 0.00 0.00 175.55 172.38 2duk s VAL 87 N 3.85 3.88 0.03 0.71 1.01 -1.15 0.16 120.40 128.89 2duk s VAL 87 Ca 0.59 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.28 2duk s VAL 87 Cb -0.23 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2duk s VAL 87 CO 0.19 0.50 -0.23 -0.31 0.00 0.00 0.00 175.10 175.26 2duk s TYR 88 N 0.25 2.00 -0.37 5.22 2.02 0.51 -1.98 117.35 124.99 2duk s TYR 88 Ca -0.03 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 2duk s TYR 88 Cb -0.14 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 2duk s TYR 88 CO 0.03 0.07 1.11 0.14 -1.57 0.00 0.00 175.55 175.33 2duk s VAL 89 N -0.73 4.38 -0.08 0.71 -7.23 -0.22 -1.99 120.40 115.24 2duk s VAL 89 Ca 0.09 1.54 0.02 0.00 -1.81 0.00 0.00 61.98 61.81 2duk s VAL 89 Cb -0.09 -4.47 -0.02 0.00 0.56 0.00 0.00 36.38 32.36 2duk s VAL 89 CO 0.01 -0.66 -0.13 -0.22 -0.31 0.00 0.00 175.10 173.79 2duk s LEU 90 N 3.98 2.79 -0.43 1.32 0.20 -0.35 -1.47 118.68 124.72 2duk s LEU 90 Ca 0.47 -0.22 -0.07 0.00 0.69 0.00 0.00 54.13 55.01 2duk s LEU 90 Cb -0.11 -1.59 0.10 0.00 -0.43 0.00 0.00 46.19 44.16 2duk s LEU 90 CO 0.21 0.29 0.26 0.28 -0.29 0.00 0.00 176.35 177.10 2duk s THR 91 N -0.37 3.87 0.28 3.68 -1.32 -1.13 -0.15 115.64 120.50 2duk s THR 91 Ca 0.04 -1.76 -0.28 0.00 -1.21 0.00 0.00 61.69 58.48 2duk s THR 91 Cb -0.12 -3.52 -0.14 0.00 -1.51 0.00 0.00 72.50 67.20 2duk s THR 91 CO 0.02 -0.65 0.97 0.52 -2.21 0.00 0.00 174.62 173.27 2duk n VAL 92 N 4.80 1.95 -0.13 5.08 0.31 0.34 -1.54 118.33 129.14 2duk n VAL 92 Ca -0.07 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2duk n VAL 92 Cb 0.42 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2duk n VAL 92 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2duk n THR 93 N 0.26 0.00 -3.40 2.52 5.66 0.25 -4.79 114.28 114.78 2duk n THR 93 Ca 0.11 -0.20 0.02 0.00 -3.05 0.00 0.00 64.05 60.92 2duk n THR 93 Cb 0.31 1.13 -0.04 0.00 -1.55 0.00 0.00 70.33 70.18 2duk n THR 93 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2duk s GLU 94 N -0.32 0.30 -0.42 1.09 2.12 -0.28 -4.97 118.70 116.22 2duk s GLU 94 Ca 0.00 0.74 -0.15 0.00 0.36 0.00 0.00 54.97 55.91 2duk s GLU 94 Cb 0.00 0.44 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2duk s GLU 94 CO 0.00 -0.11 0.34 0.96 -0.54 0.00 0.00 175.26 175.91 2duk s ILE 95 N 2.47 5.23 0.70 -3.70 -0.00 -1.26 -0.42 121.20 124.22 2duk s ILE 95 Ca -0.02 -0.67 -0.16 0.00 -0.00 0.00 0.00 60.65 59.79 2duk s ILE 95 Cb -0.06 -3.98 -0.00 0.00 -0.00 0.00 0.00 42.46 38.42 2duk s ILE 95 CO -0.17 -0.37 0.95 0.18 -0.00 0.00 0.00 174.94 175.53 2duk n LEU 96 N 5.24 3.45 0.00 0.37 4.32 -0.45 -5.00 117.00 124.94 2duk n LEU 96 Ca -0.11 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 2duk n LEU 96 Cb 0.47 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.87 2duk n LEU 96 CO 0.43 -2.05 0.00 -0.62 -1.22 0.00 0.00 177.39 173.93 2duk n GLU 97 N -1.70 0.52 -0.34 3.23 1.02 -1.26 -4.50 120.64 117.62 2duk n GLU 97 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2duk n GLU 97 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2duk n GLU 97 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2duk n ASP 98 N 0.00 4.23 -3.82 1.62 4.64 -1.26 -5.10 116.55 116.86 2duk n ASP 98 Ca 0.00 -2.13 -0.38 0.00 -1.38 0.00 0.00 54.79 50.90 2duk n ASP 98 Cb 0.00 -0.87 -0.02 0.00 -1.04 0.00 0.00 41.12 39.20 2duk n ASP 98 CO 0.00 0.00 0.00 1.87 -0.82 0.00 0.00 177.20 178.25 2duk n TRP 99 N 1.33 2.65 0.03 -0.67 -0.00 -1.26 -5.23 117.44 114.29 2duk n TRP 99 Ca 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 57.50 54.47 2duk n TRP 99 Cb 0.44 -1.05 0.00 0.00 -0.00 0.00 0.00 31.31 30.70 2duk n TRP 99 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2duk n GLY 106 N 1.14 0.81 3.69 5.87 0.00 -1.26 -4.79 105.19 110.65 2duk n GLY 106 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2duk n GLY 106 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2duk s ARG 107 N 1.18 4.39 0.32 1.61 3.52 -1.26 -5.06 118.95 123.64 2duk s ARG 107 Ca 0.00 1.12 0.06 0.00 -0.13 0.00 0.00 55.73 56.78 2duk s ARG 107 Cb 0.00 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2duk s ARG 107 CO 0.00 -0.20 0.45 -1.59 -0.81 0.00 0.00 175.30 173.15 2duk s LYS 108 N 1.66 3.19 -0.25 5.12 0.00 -1.26 -4.94 119.74 123.26 2duk s LYS 108 Ca 0.42 -0.95 -0.11 0.00 0.00 0.00 0.00 55.97 55.33 2duk s LYS 108 Cb -0.18 -2.83 0.09 0.00 0.00 0.00 0.00 37.83 34.91 2duk s LYS 108 CO 0.17 0.14 0.56 -0.98 0.00 0.00 0.00 175.35 175.23 2duk s ARG 109 N -4.14 0.51 0.13 1.78 1.70 -1.26 -1.06 118.95 116.62 2duk s ARG 109 Ca 0.43 1.17 -0.13 0.00 -0.47 0.00 0.00 55.73 56.73 2duk s ARG 109 Cb -0.09 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.69 2duk s ARG 109 CO 0.31 -0.19 0.34 -1.83 -1.08 0.00 0.00 175.30 172.84 2duk s GLU 110 N 2.24 1.06 0.10 3.89 -1.05 -0.77 -4.99 118.70 119.19 2duk s GLU 110 Ca -0.07 -0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 2duk s GLU 110 Cb -0.10 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 33.96 2duk s GLU 110 CO -0.17 -0.40 0.95 -1.58 0.95 0.00 0.00 175.26 175.02 2duk s TRP 111 N -3.86 3.80 -0.07 4.83 0.52 -1.26 -2.23 118.94 120.68 2duk s TRP 111 Ca 0.07 1.78 0.04 0.00 0.02 0.00 0.00 56.10 58.01 2duk s TRP 111 Cb 0.03 -3.05 -0.00 0.00 -1.15 0.00 0.00 33.47 29.30 2duk s TRP 111 CO -0.08 0.20 -0.20 -0.06 0.02 0.00 0.00 176.95 176.83 2duk s PHE 112 N 0.03 2.09 0.15 -1.98 0.40 -0.21 -4.97 117.98 113.49 2duk s PHE 112 Ca 0.47 -0.72 -0.31 0.00 -0.60 0.00 0.00 56.93 55.76 2duk s PHE 112 Cb -0.23 -1.41 -0.10 0.00 0.51 0.00 0.00 43.02 41.79 2duk s PHE 112 CO 0.29 -0.28 1.68 0.15 0.70 0.00 0.00 175.22 177.76 2duk s LYS 113 N 0.20 4.17 0.12 0.44 1.02 -1.26 -1.42 119.74 123.01 2duk s LYS 113 Ca -0.10 2.47 -0.18 0.00 0.02 0.00 0.00 55.97 58.18 2duk s LYS 113 Cb -0.15 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2duk s LYS 113 CO 0.05 -0.71 1.04 0.28 -0.92 0.00 0.00 175.35 175.09 2duk n VAL 114 N 4.24 -0.42 0.22 3.17 0.31 0.15 0.79 118.33 126.80 2duk n VAL 114 Ca 0.15 1.61 0.09 0.00 -0.01 0.00 0.00 64.34 66.19 2duk n VAL 114 Cb 0.38 -2.04 0.49 0.00 -0.91 0.00 0.00 33.84 31.76 2duk n VAL 114 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2duk h GLU 115 N 0.00 0.00 0.00 5.55 4.57 -1.88 -0.94 114.58 121.88 2duk h GLU 115 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2duk h GLU 115 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2duk h GLU 115 CO -0.65 0.25 -0.15 -3.47 -1.18 0.00 0.00 179.01 173.81 2duk n ASP 116 N -3.53 0.59 0.02 1.04 2.03 0.24 -3.52 116.55 113.41 2duk n ASP 116 Ca -0.01 0.42 -0.19 0.00 0.52 0.00 0.00 54.79 55.53 2duk n ASP 116 Cb 0.40 -0.48 -0.14 0.00 -0.72 0.00 0.00 41.12 40.17 2duk n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2duk h ALA 117 N 2.66 -0.03 -0.89 -1.67 0.00 0.67 -3.31 119.26 116.70 2duk h ALA 117 Ca 0.00 -0.74 0.23 0.00 0.00 0.00 0.00 54.91 54.40 2duk h ALA 117 Cb 0.67 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 2duk h ALA 117 CO 0.00 0.39 0.34 0.82 0.00 0.00 0.00 179.25 180.80 2duk h ILE 118 N -0.48 0.40 0.85 0.00 2.04 -1.55 -2.55 117.51 116.22 2duk h ILE 118 Ca -0.15 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2duk h ILE 118 Cb 1.55 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2duk h ILE 118 CO 0.10 0.06 -0.48 0.11 0.00 0.00 0.00 178.15 177.94 2duk h LYS 119 N 0.31 -1.18 0.00 2.37 1.57 -1.64 -0.57 116.57 117.42 2duk h LYS 119 Ca 0.57 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2duk h LYS 119 Cb 1.12 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2duk h LYS 119 CO -0.59 -0.79 0.00 1.55 -0.57 0.00 0.00 179.45 179.06 2duk n VAL 120 N -5.63 1.32 -0.02 0.50 3.14 -1.08 -2.94 118.33 113.62 2duk n VAL 120 Ca -0.15 0.33 0.01 0.00 -2.96 0.00 0.00 64.34 61.57 2duk n VAL 120 Cb 0.50 -1.23 -0.07 0.00 -1.06 0.00 0.00 33.84 31.98 2duk n VAL 120 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2duk n LEU 121 N -1.41 0.00 0.12 6.55 7.94 -0.98 -4.58 117.00 124.63 2duk n LEU 121 Ca 0.02 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.94 2duk n LEU 121 Cb 0.06 0.09 0.37 0.00 0.53 0.00 0.00 43.42 44.47 2duk n LEU 121 CO 0.05 0.09 0.86 -0.61 -1.11 0.00 0.00 177.39 176.67 2duk h GLN 122 N 0.00 0.24 0.25 1.96 4.15 -0.99 -1.92 115.11 118.79 2duk h GLN 122 Ca -0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2duk h GLN 122 Cb 0.90 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2duk h GLN 122 CO 0.01 0.40 -0.12 0.00 -1.93 0.00 0.00 178.83 177.19 2duk h HIS 124 N -1.05 0.00 -2.08 0.00 3.86 -1.89 -3.38 115.15 110.61 2duk h HIS 124 Ca -0.03 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.66 2duk h HIS 124 Cb 0.25 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.32 2duk h HIS 124 CO 0.00 0.00 -1.03 1.63 0.86 0.00 0.00 177.93 179.39 2duk n LYS 125 N -2.37 1.59 -0.01 2.45 4.76 -0.72 -4.95 118.16 118.91 2duk n LYS 125 Ca 0.02 -3.79 0.23 0.00 -2.87 0.00 0.00 58.31 51.90 2duk n LYS 125 Cb 0.49 -1.83 0.72 0.00 -1.84 0.00 0.00 35.03 32.57 2duk n LYS 125 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2duk h PRO 126 N 3.08 0.00 0.11 1.97 0.13 -1.60 -0.67 132.00 135.02 2duk h PRO 126 Ca 0.11 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.95 2duk h PRO 126 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2duk h PRO 126 CO 0.59 0.00 -1.44 -0.24 -0.23 0.00 0.00 178.00 176.68 2duk h VAL 127 N 0.00 1.26 -0.84 1.56 3.04 -1.87 -3.02 116.25 116.38 2duk h VAL 127 Ca 0.28 -2.89 -0.01 0.00 -1.01 0.00 0.00 66.70 63.06 2duk h VAL 127 Cb 1.31 2.80 -0.04 0.00 -2.01 0.00 0.00 31.29 33.35 2duk h VAL 127 CO -0.00 0.83 0.48 0.45 -1.01 0.00 0.00 177.57 178.32 2duk h HIS 128 N 0.06 1.13 0.00 3.17 3.86 -1.45 -0.90 115.15 121.02 2duk h HIS 128 Ca -0.20 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2duk h HIS 128 Cb 1.99 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 30.10 2duk h HIS 128 CO 0.06 0.77 0.00 0.00 0.86 0.00 0.00 177.93 179.62 2duk n ALA 129 N -2.37 2.16 0.11 2.45 0.00 -1.09 -1.43 120.51 120.33 2duk n ALA 129 Ca 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.44 2duk n ALA 129 Cb 0.08 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 2duk n ALA 129 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2duk h GLU 130 N 0.00 0.00 0.52 0.00 4.81 -1.03 -2.06 114.58 116.83 2duk h GLU 130 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2duk h GLU 130 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.51 2duk h GLU 130 CO 0.00 0.36 -0.25 1.88 -0.73 0.00 0.00 179.01 180.27 2duk h TYR 131 N 0.00 -0.65 -0.99 0.92 0.99 -1.13 -1.50 116.97 114.62 2duk h TYR 131 Ca -0.06 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.75 2duk h TYR 131 Cb 1.40 0.21 -0.07 0.00 1.00 0.00 0.00 36.73 39.26 2duk h TYR 131 CO 0.00 -0.40 0.64 -0.07 -0.00 0.00 0.00 178.16 178.32 2duk h LEU 132 N -0.80 0.97 -0.22 3.88 3.38 -1.69 -1.72 115.31 119.11 2duk h LEU 132 Ca -0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2duk h LEU 132 Cb 0.53 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2duk h LEU 132 CO 0.12 0.57 -0.21 -0.08 0.09 0.00 0.00 178.44 178.93 2duk h GLU 133 N 1.07 -0.22 0.00 1.13 4.57 -1.19 -0.38 114.58 119.56 2duk h GLU 133 Ca 0.46 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.65 2duk h GLU 133 Cb 0.33 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2duk h GLU 133 CO -0.21 -0.15 -0.03 1.57 -1.18 0.00 0.00 179.01 179.02 2duk h LYS 134 N -0.23 0.00 -0.22 1.92 2.10 -0.43 -2.84 116.57 116.87 2duk h LYS 134 Ca 0.13 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.73 2duk h LYS 134 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2duk h LYS 134 CO -0.35 0.03 -0.07 1.25 -2.00 0.00 0.00 179.45 178.31 2duk h LEU 135 N 0.00 0.31 -1.61 7.07 6.46 -0.29 -2.06 115.31 125.18 2duk h LEU 135 Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2duk h LEU 135 Cb 0.65 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2duk h LEU 135 CO 0.00 0.42 0.00 0.29 -0.62 0.00 0.00 178.44 178.54 2duk n LYS 136 N -4.29 0.94 -3.77 1.25 5.02 -0.83 -4.67 118.16 111.80 2duk n LYS 136 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2duk n LYS 136 Cb 0.25 -1.20 -0.17 0.00 -0.02 0.00 0.00 35.03 33.88 2duk n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2duk s LEU 137 N 0.00 0.69 0.00 -0.35 2.96 -0.78 -5.10 118.68 116.10 2duk s LEU 137 Ca 0.00 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2duk s LEU 137 Cb 0.00 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.21 2duk s LEU 137 CO 0.00 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.43