#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrn s VAL 17 N 0.00 5.28 -1.08 1.39 1.01 0.49 -4.35 120.40 123.14 1nrn s VAL 17 Ca 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1nrn s VAL 17 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1nrn s VAL 17 CO 0.00 0.36 0.91 1.21 0.00 0.00 0.00 175.10 177.58 1nrn n GLU 18 N 3.74 -6.08 -0.30 2.72 4.07 -1.26 -1.82 120.64 121.71 1nrn n GLU 18 Ca -0.11 0.73 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 1nrn n GLU 18 Cb 0.52 -5.42 0.00 0.00 -0.06 0.00 0.00 31.44 26.48 1nrn n GLU 18 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nrn n GLY 19 N -1.32 4.72 3.11 8.31 0.00 -1.26 -4.68 105.19 114.07 1nrn n GLY 19 Ca -0.18 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 1nrn n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nrn s SER 20 N -0.14 0.47 0.13 1.61 0.15 -0.25 -4.91 113.70 110.76 1nrn s SER 20 Ca 0.00 -1.07 -0.31 0.00 0.70 0.00 0.00 55.95 55.28 1nrn s SER 20 Cb 0.00 0.22 -0.08 0.00 -1.71 0.00 0.00 66.02 64.46 1nrn s SER 20 CO 0.00 -0.63 1.34 -1.81 1.20 0.00 0.00 173.24 173.34 1nrn s ASP 21 N -2.97 6.88 0.77 5.45 1.11 -1.26 0.11 116.67 126.75 1nrn s ASP 21 Ca 0.13 2.31 -0.12 0.00 0.18 0.00 0.00 52.55 55.04 1nrn s ASP 21 Cb 0.08 -2.59 0.06 0.00 1.07 0.00 0.00 42.92 41.53 1nrn s ASP 21 CO -0.06 -0.59 1.13 0.00 1.18 0.00 0.00 175.17 176.83 1nrn s ALA 22 N 0.79 2.12 0.46 5.23 0.00 0.33 -4.79 121.76 125.89 1nrn s ALA 22 Ca 0.61 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 53.06 1nrn s ALA 22 Cb -0.36 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1nrn s ALA 22 CO 0.32 -1.88 0.75 -1.21 0.00 0.00 0.00 175.76 173.75 1nrn s GLU 23 N -4.44 3.54 0.16 0.00 0.41 -1.26 -4.91 118.70 112.20 1nrn s GLU 23 Ca 0.66 0.13 -0.31 0.00 -0.41 0.00 0.00 54.97 55.05 1nrn s GLU 23 Cb -0.22 -2.42 -0.09 0.00 -1.78 0.00 0.00 34.13 29.63 1nrn s GLU 23 CO 0.51 -0.15 1.41 0.42 -0.49 0.00 0.00 175.26 176.96 1nrn s ILE 24 N -2.66 3.05 -1.27 -1.63 -1.09 -1.26 -2.56 121.20 113.78 1nrn s ILE 24 Ca 0.46 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 1nrn s ILE 24 Cb -0.10 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1nrn s ILE 24 CO 0.43 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1nrn n GLY 25 N 3.09 0.77 0.12 6.18 0.00 -1.26 -4.91 105.19 109.19 1nrn n GLY 25 Ca 0.10 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 1nrn n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nrn h MET 26 N 0.00 0.13 -2.09 1.61 -1.53 -1.87 -3.38 114.93 107.80 1nrn h MET 26 Ca -0.28 -0.14 -0.55 0.00 -3.44 0.00 0.00 59.70 55.29 1nrn h MET 26 Cb 1.00 0.04 -0.40 0.00 -0.55 0.00 0.00 31.60 31.68 1nrn h MET 26 CO 0.38 0.89 -0.95 0.45 0.14 0.00 0.00 176.91 177.82 1nrn n SER 27 N -3.65 1.82 0.00 1.39 2.88 -1.26 -4.98 113.62 109.83 1nrn n SER 27 Ca -0.02 -3.10 0.05 0.00 -1.33 0.00 0.00 58.87 54.46 1nrn n SER 27 Cb 0.78 -0.63 0.27 0.00 -0.75 0.00 0.00 64.21 63.88 1nrn n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nrn n PRO 28 N 0.71 0.22 -0.00 -1.46 -0.04 -1.26 -1.64 135.00 131.53 1nrn n PRO 28 Ca 0.26 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 1nrn n PRO 28 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1nrn n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1nrn n TRP 29 N -1.14 0.00 -1.73 0.54 2.14 -1.10 -1.35 117.44 114.80 1nrn n TRP 29 Ca 0.06 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 1nrn n TRP 29 Cb 0.05 -0.07 -0.02 0.00 -0.81 0.00 0.00 31.31 30.46 1nrn n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1nrn n GLN 30 N -1.58 2.70 -4.40 -2.67 -0.06 -0.65 -1.00 117.38 109.72 1nrn n GLN 30 Ca 0.03 0.97 -0.19 0.00 -2.00 0.00 0.00 57.00 55.80 1nrn n GLN 30 Cb 0.34 -2.77 -0.14 0.00 -4.06 0.00 0.00 30.24 23.61 1nrn n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1nrn s VAL 31 N 0.48 0.90 -0.18 1.69 1.01 -0.45 -4.06 120.40 119.79 1nrn s VAL 31 Ca 0.69 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1nrn s VAL 31 Cb -0.51 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1nrn s VAL 31 CO 0.42 0.13 0.03 -0.32 0.00 0.00 0.00 175.10 175.36 1nrn s MET 32 N -0.59 3.83 -0.40 2.72 1.75 0.35 -0.28 119.30 126.67 1nrn s MET 32 Ca 0.02 -0.42 -0.22 0.00 -1.25 0.00 0.00 55.69 53.82 1nrn s MET 32 Cb -0.06 -3.13 0.01 0.00 2.84 0.00 0.00 34.83 34.49 1nrn s MET 32 CO 0.00 0.19 0.72 -0.51 -0.65 0.00 0.00 175.02 174.77 1nrn s LEU 33 N 0.56 4.27 -0.14 4.11 1.43 0.69 -1.29 118.68 128.31 1nrn s LEU 33 Ca 0.01 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1nrn s LEU 33 Cb -0.13 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1nrn s LEU 33 CO 0.02 -0.76 -0.11 0.12 0.23 0.00 0.00 176.35 175.85 1nrn s PHE 34 N 3.00 2.85 -0.04 0.29 5.36 0.25 0.32 117.98 130.00 1nrn s PHE 34 Ca 0.27 -0.67 -0.30 0.00 -0.96 0.00 0.00 56.93 55.27 1nrn s PHE 34 Cb -0.13 -1.89 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 1nrn s PHE 34 CO 0.18 -0.25 1.37 0.50 -1.46 0.00 0.00 175.22 175.57 1nrn s ARG 35 N 0.51 4.27 0.03 10.12 6.06 0.56 -1.90 118.95 138.61 1nrn s ARG 35 Ca -0.08 1.89 -0.25 0.00 -2.50 0.00 0.00 55.73 54.80 1nrn s ARG 35 Cb -0.15 -3.65 -0.18 0.00 0.06 0.00 0.00 34.95 31.03 1nrn s ARG 35 CO 0.04 -0.61 1.49 -0.22 -2.50 0.00 0.00 175.30 173.50 1nrn h LYS 36 N 8.03 -0.03 -1.90 5.12 1.63 -1.82 -0.93 116.57 126.67 1nrn h LYS 36 Ca -0.35 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.51 1nrn h LYS 36 Cb 1.16 0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 32.59 1nrn h LYS 36 CO 0.92 0.22 -0.00 0.45 -3.45 0.00 0.00 179.45 177.58 1nrn s SER 36 N -5.41 -0.98 0.26 4.20 0.15 -1.26 -2.49 113.70 108.18 1nrn s SER 36 Ca -0.15 1.44 -0.30 0.00 0.70 0.00 0.00 55.95 57.64 1nrn s SER 36 Cb 0.04 1.79 -0.11 0.00 -1.71 0.00 0.00 66.02 66.03 1nrn s SER 36 CO 0.66 -0.21 1.55 -2.16 1.20 0.00 0.00 173.24 174.28 1nrn s PRO 37 N 2.21 4.17 0.24 5.44 0.04 -1.26 -5.05 135.00 140.80 1nrn s PRO 37 Ca -0.08 2.48 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 1nrn s PRO 37 Cb -0.08 -3.06 -0.15 0.00 0.04 0.00 0.00 34.50 31.25 1nrn s PRO 37 CO -0.19 -0.57 0.95 1.04 0.04 0.00 0.00 177.00 178.27 1nrn n GLN 38 N 2.49 1.03 0.00 4.56 6.02 -1.04 -4.68 117.38 125.76 1nrn n GLN 38 Ca 0.09 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1nrn n GLN 38 Cb 0.38 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1nrn n GLN 38 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1nrn n GLU 39 N 1.01 0.00 -2.04 -1.09 2.13 -0.36 -4.90 120.64 115.40 1nrn n GLU 39 Ca 0.13 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.52 1nrn n GLU 39 Cb 0.29 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 1nrn n GLU 39 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1nrn s LEU 40 N 0.00 4.33 -0.09 4.31 0.20 -1.26 0.21 118.68 126.38 1nrn s LEU 40 Ca 0.00 2.29 -0.08 0.00 0.69 0.00 0.00 54.13 57.04 1nrn s LEU 40 Cb 0.00 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 1nrn s LEU 40 CO 0.00 -0.86 -0.15 0.18 -0.29 0.00 0.00 176.35 175.24 1nrn n LEU 41 N 6.10 1.05 0.00 -0.68 4.77 0.15 -4.88 117.00 123.50 1nrn n LEU 41 Ca 0.16 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.39 1nrn n LEU 41 Cb 0.42 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1nrn n LEU 41 CO 0.61 -0.43 0.38 0.00 -1.33 0.00 0.00 177.39 176.62 1nrn s GLY 43 N -2.66 1.90 0.20 0.00 0.00 0.81 -0.23 107.32 107.35 1nrn s GLY 43 Ca 0.14 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.10 1nrn s GLY 43 CO 0.11 -1.40 0.64 0.00 0.00 0.00 0.00 173.10 172.45 1nrn n ALA 44 N -2.02 -1.57 -3.17 3.20 0.00 0.62 -3.80 120.51 113.78 1nrn n ALA 44 Ca 0.09 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 1nrn n ALA 44 Cb 0.59 0.56 -0.10 0.00 0.00 0.00 0.00 19.45 20.50 1nrn n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nrn s SER 45 N -2.58 -0.17 -0.31 0.00 1.04 -0.93 -1.34 113.70 109.40 1nrn s SER 45 Ca 0.14 0.19 -0.20 0.00 0.48 0.00 0.00 55.95 56.56 1nrn s SER 45 Cb -0.03 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1nrn s SER 45 CO 0.06 -0.28 0.62 -0.22 0.98 0.00 0.00 173.24 174.40 1nrn s LEU 46 N -0.74 4.17 -0.00 2.42 2.96 -0.17 -1.03 118.68 126.29 1nrn s LEU 46 Ca -0.08 0.36 0.09 0.00 -0.22 0.00 0.00 54.13 54.28 1nrn s LEU 46 Cb -0.04 -2.79 -0.10 0.00 0.50 0.00 0.00 46.19 43.76 1nrn s LEU 46 CO 0.02 -0.49 0.38 2.30 -1.32 0.00 0.00 176.35 177.24 1nrn n ILE 47 N 5.42 0.00 -3.32 6.68 -5.35 -1.11 -1.96 119.36 119.72 1nrn n ILE 47 Ca -0.01 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.17 1nrn n ILE 47 Cb 0.49 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1nrn n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1nrn n SER 48 N -1.23 -0.26 -1.85 7.28 3.41 -1.24 -4.79 113.62 114.94 1nrn n SER 48 Ca 0.02 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.30 1nrn n SER 48 Cb 0.14 0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.76 1nrn n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nrn n ASP 49 N -1.47 4.08 0.00 4.04 5.75 -1.26 -4.04 116.55 123.64 1nrn n ASP 49 Ca -0.01 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1nrn n ASP 49 Cb 0.08 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1nrn n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1nrn n ARG 50 N -0.32 0.00 -4.18 0.11 1.85 -1.26 -1.94 116.66 110.93 1nrn n ARG 50 Ca 0.38 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 57.06 1nrn n ARG 50 Cb 1.28 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 32.57 1nrn n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1nrn s TRP 51 N 0.00 0.99 -0.02 2.89 0.52 -1.26 0.11 118.94 122.18 1nrn s TRP 51 Ca 0.00 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.72 1nrn s TRP 51 Cb 0.00 -0.58 0.00 0.00 -1.15 0.00 0.00 33.47 31.74 1nrn s TRP 51 CO 0.00 0.00 -0.06 0.08 0.02 0.00 0.00 176.95 176.99 1nrn s VAL 52 N -1.12 0.54 -0.01 4.03 1.01 -1.10 -2.74 120.40 121.00 1nrn s VAL 52 Ca -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1nrn s VAL 52 Cb -0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1nrn s VAL 52 CO 0.01 0.17 0.20 -0.22 0.00 0.00 0.00 175.10 175.27 1nrn s LEU 53 N 0.16 4.37 0.04 3.92 0.20 -0.20 0.67 118.68 127.85 1nrn s LEU 53 Ca -0.02 0.40 -0.28 0.00 0.69 0.00 0.00 54.13 54.92 1nrn s LEU 53 Cb -0.06 -2.60 0.10 0.00 -0.43 0.00 0.00 46.19 43.20 1nrn s LEU 53 CO -0.00 0.27 1.20 0.28 -0.29 0.00 0.00 176.35 177.81 1nrn s THR 54 N -1.30 0.00 0.04 3.68 -1.32 0.20 -2.18 115.64 114.75 1nrn s THR 54 Ca 0.27 -0.33 -0.28 0.00 -1.21 0.00 0.00 61.69 60.13 1nrn s THR 54 Cb -0.13 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.39 1nrn s THR 54 CO 0.17 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.47 1nrn s ALA 55 N -2.38 3.26 0.35 11.08 0.00 -1.26 0.32 121.76 133.13 1nrn s ALA 55 Ca 0.19 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1nrn s ALA 55 Cb 0.01 -3.19 0.76 0.00 0.00 0.00 0.00 23.12 20.71 1nrn s ALA 55 CO -0.01 -0.07 1.89 0.00 0.00 0.00 0.00 175.76 177.58 1nrn h ALA 56 N 6.08 1.76 0.00 0.00 0.00 -1.67 -1.19 119.26 124.24 1nrn h ALA 56 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1nrn h ALA 56 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nrn h ALA 56 CO 0.73 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.62 1nrn n HIS 57 N -4.54 0.00 0.35 0.00 1.44 -1.26 -0.73 115.22 110.48 1nrn n HIS 57 Ca 0.16 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.99 1nrn n HIS 57 Cb 0.39 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.63 1nrn n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nrn n LEU 59 N -2.49 0.00 -3.39 0.00 4.77 -0.52 -4.87 117.00 110.50 1nrn n LEU 59 Ca 0.02 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 1nrn n LEU 59 Cb 0.49 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1nrn n LEU 59 CO 0.37 0.02 -0.15 -0.22 -1.33 0.00 0.00 177.39 176.07 1nrn s LEU 60 N -3.46 -0.33 0.05 2.23 2.96 0.09 -1.41 118.68 118.80 1nrn s LEU 60 Ca -0.02 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1nrn s LEU 60 Cb 0.02 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.31 1nrn s LEU 60 CO 0.17 -0.37 0.03 -0.47 -1.32 0.00 0.00 176.35 174.39 1nrn s TYR 60 N 2.40 0.35 0.00 5.38 5.04 0.11 -4.23 117.35 126.41 1nrn s TYR 60 Ca 0.09 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 1nrn s TYR 60 Cb -0.14 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 41.92 1nrn s TYR 60 CO -0.29 -0.37 0.00 -2.30 -1.34 0.00 0.00 175.55 171.25 1nrn n PRO 60 N 0.49 -0.03 -0.33 4.97 -0.02 -1.26 -0.71 135.00 138.11 1nrn n PRO 60 Ca -0.17 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.32 1nrn n PRO 60 Cb 0.60 -0.12 0.01 0.00 -0.02 0.00 0.00 33.50 33.96 1nrn n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nrn n TRP 60 N 0.08 0.00 -3.28 6.00 8.01 -1.26 -5.02 117.44 121.97 1nrn n TRP 60 Ca 0.00 -0.10 -0.20 0.00 -1.31 0.00 0.00 57.50 55.89 1nrn n TRP 60 Cb 0.00 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.31 29.24 1nrn n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1nrn n ASP 60 N -0.14 -2.73 -4.66 -0.99 9.92 -0.92 -4.95 116.55 112.09 1nrn n ASP 60 Ca 0.01 -0.28 -0.39 0.00 -0.53 0.00 0.00 54.79 53.61 1nrn n ASP 60 Cb 0.64 -2.32 -0.07 0.00 -0.64 0.00 0.00 41.12 38.72 1nrn n ASP 60 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1nrn s LYS 60 N -5.90 4.16 -0.48 -1.24 1.02 0.11 -4.96 119.74 112.45 1nrn s LYS 60 Ca 0.34 0.34 0.05 0.00 0.02 0.00 0.00 55.97 56.73 1nrn s LYS 60 Cb -0.19 -3.57 0.23 0.00 -0.52 0.00 0.00 37.83 33.78 1nrn s LYS 60 CO 0.42 -0.15 0.88 -1.71 -0.92 0.00 0.00 175.35 173.87 1nrn n ASN 60 N 4.83 -2.92 -4.77 2.83 5.15 -1.25 0.10 115.26 119.23 1nrn n ASN 60 Ca -0.06 -3.07 -0.38 0.00 -0.60 0.00 0.00 54.58 50.47 1nrn n ASN 60 Cb 0.50 1.73 -0.02 0.00 -0.53 0.00 0.00 39.78 41.47 1nrn n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1nrn s PHE 60 N 0.71 3.02 0.46 1.20 0.08 -0.50 -5.01 117.98 117.94 1nrn s PHE 60 Ca 0.31 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.98 1nrn s PHE 60 Cb 0.17 -3.41 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 1nrn s PHE 60 CO -0.19 -1.39 0.50 0.99 -0.10 0.00 0.00 175.22 175.03 1nrn s THR 60 N -1.43 2.52 0.45 0.64 2.01 -1.26 -4.88 115.64 113.68 1nrn s THR 60 Ca 0.58 -1.22 0.15 0.00 0.31 0.00 0.00 61.69 61.52 1nrn s THR 60 Cb -0.31 -2.74 0.33 0.00 0.01 0.00 0.00 72.50 69.80 1nrn s THR 60 CO 0.38 0.00 1.99 -0.33 -0.69 0.00 0.00 174.62 175.97 1nrn h GLU 61 N 0.75 0.34 0.00 4.92 3.07 -1.95 -3.10 114.58 118.60 1nrn h GLU 61 Ca -0.38 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.33 1nrn h GLU 61 Cb 1.28 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 1nrn h GLU 61 CO 0.51 0.22 -1.54 0.09 -1.40 0.00 0.00 179.01 176.90 1nrn n ASN 62 N -4.46 0.61 0.00 1.42 3.02 -1.26 -3.77 115.26 110.81 1nrn n ASN 62 Ca 0.09 0.26 0.06 0.00 -0.03 0.00 0.00 54.58 54.96 1nrn n ASN 62 Cb 0.38 0.64 0.36 0.00 -0.61 0.00 0.00 39.78 40.56 1nrn n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nrn n ASP 63 N -2.71 0.00 -4.42 6.41 8.00 -1.17 -4.77 116.55 117.88 1nrn n ASP 63 Ca -0.09 -0.94 -0.25 0.00 0.71 0.00 0.00 54.79 54.22 1nrn n ASP 63 Cb 0.76 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.75 1nrn n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nrn s LEU 64 N -1.58 2.49 -0.14 0.64 1.02 -1.25 -2.85 118.68 117.01 1nrn s LEU 64 Ca 0.18 -0.93 -0.10 0.00 0.02 0.00 0.00 54.13 53.30 1nrn s LEU 64 Cb 0.08 -1.07 0.04 0.00 0.02 0.00 0.00 46.19 45.27 1nrn s LEU 64 CO 0.14 0.06 0.36 -0.22 0.02 0.00 0.00 176.35 176.71 1nrn s LEU 65 N -2.98 0.36 -0.19 1.79 2.96 -0.80 -4.69 118.68 115.14 1nrn s LEU 65 Ca 0.23 0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 54.86 1nrn s LEU 65 Cb -0.06 1.20 -0.02 0.00 0.50 0.00 0.00 46.19 47.81 1nrn s LEU 65 CO 0.11 -0.15 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 1nrn s VAL 66 N 0.73 3.62 -0.23 1.68 1.01 0.08 -0.58 120.40 126.71 1nrn s VAL 66 Ca -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1nrn s VAL 66 Cb -0.06 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1nrn s VAL 66 CO -0.05 0.45 -0.09 -0.13 0.00 0.00 0.00 175.10 175.28 1nrn s ARG 67 N 0.93 2.95 0.02 2.72 0.52 -0.41 -0.56 118.95 125.13 1nrn s ARG 67 Ca -0.00 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 1nrn s ARG 67 Cb -0.15 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1nrn s ARG 67 CO 0.01 -0.32 -0.15 0.42 0.02 0.00 0.00 175.30 175.28 1nrn s ILE 68 N 1.34 3.03 0.00 1.52 1.01 0.10 -0.50 121.20 127.70 1nrn s ILE 68 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1nrn s ILE 68 Cb -0.15 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1nrn s ILE 68 CO -0.06 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1nrn n GLY 69 N 1.61 0.57 3.89 6.18 0.00 -1.26 -0.17 105.19 116.02 1nrn n GLY 69 Ca -0.16 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1nrn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrn s LYS 70 N -2.57 3.64 0.09 1.61 1.02 -1.26 -4.14 119.74 118.14 1nrn s LYS 70 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 1nrn s LYS 70 Cb 0.00 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1nrn s LYS 70 CO 0.00 -0.21 0.00 1.58 -0.92 0.00 0.00 175.35 175.80 1nrn n HIS 71 N -2.00 -0.69 -2.81 3.18 -0.00 -1.26 -4.97 115.22 106.66 1nrn n HIS 71 Ca 0.02 0.12 -0.41 0.00 -0.00 0.00 0.00 57.72 57.45 1nrn n HIS 71 Cb 0.55 0.35 -0.04 0.00 -0.00 0.00 0.00 29.99 30.85 1nrn n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nrn s SER 72 N -5.14 7.26 0.20 0.26 0.15 -1.26 -1.08 113.70 114.09 1nrn s SER 72 Ca 0.00 1.53 -0.06 0.00 0.70 0.00 0.00 55.95 58.12 1nrn s SER 72 Cb 0.00 -2.52 0.15 0.00 -1.71 0.00 0.00 66.02 61.94 1nrn s SER 72 CO 0.00 -0.20 1.62 -0.09 1.20 0.00 0.00 173.24 175.76 1nrn h ARG 73 N 6.71 0.83 0.00 5.44 2.43 -1.81 -3.39 114.38 124.59 1nrn h ARG 73 Ca -0.41 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 1nrn h ARG 73 Cb 1.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1nrn h ARG 73 CO 0.75 0.96 -0.08 1.15 -1.51 0.00 0.00 179.97 181.25 1nrn h THR 74 N 0.72 0.00 -3.11 0.20 2.02 -1.92 -3.50 112.91 107.33 1nrn h THR 74 Ca 0.10 -0.19 -0.58 0.00 0.77 0.00 0.00 66.41 66.52 1nrn h THR 74 Cb 0.73 0.00 0.16 0.00 -1.74 0.00 0.00 68.15 67.31 1nrn h THR 74 CO 0.06 0.00 -0.18 0.54 0.37 0.00 0.00 175.52 176.31 1nrn n ARG 75 N -2.66 0.72 -2.91 6.66 1.74 -1.26 -4.94 116.66 114.01 1nrn n ARG 75 Ca -0.01 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 56.91 1nrn n ARG 75 Cb 0.04 -1.86 -0.05 0.00 -1.02 0.00 0.00 32.46 29.57 1nrn n ARG 75 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nrn s TYR 76 N -1.59 2.82 -1.31 -1.55 5.04 -1.26 -4.86 117.35 114.64 1nrn s TYR 76 Ca 0.70 -0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.97 1nrn s TYR 76 Cb -0.46 -4.00 0.10 0.00 0.35 0.00 0.00 41.96 37.95 1nrn s TYR 76 CO 0.53 -1.34 1.79 0.39 -1.34 0.00 0.00 175.55 175.58 1nrn n GLU 77 N 7.24 3.22 0.00 4.97 1.02 -1.26 -4.89 120.64 130.94 1nrn n GLU 77 Ca -0.01 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 53.82 1nrn n GLU 77 Cb 0.47 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 1nrn n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nrn n ARG 77 N 6.64 0.00 -0.41 3.49 0.63 -1.26 -1.75 116.66 123.99 1nrn n ARG 77 Ca 0.45 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.47 1nrn n ARG 77 Cb 0.42 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.58 1nrn n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1nrn n ASN 78 N -2.64 3.78 0.00 6.15 5.03 -1.26 -4.64 115.26 121.68 1nrn n ASN 78 Ca 0.00 -2.88 0.00 0.00 0.87 0.00 0.00 54.58 52.57 1nrn n ASN 78 Cb 0.00 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.26 1nrn n ASN 78 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1nrn n ILE 79 N -0.36 0.00 -2.54 2.41 -5.35 -0.77 -5.06 119.36 107.70 1nrn n ILE 79 Ca 0.20 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.38 1nrn n ILE 79 Cb 0.83 -0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.14 1nrn n ILE 79 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1nrn s GLU 80 N -1.82 3.71 0.01 6.28 -1.05 -0.72 -4.71 118.70 120.39 1nrn s GLU 80 Ca 0.00 0.52 0.03 0.00 -0.15 0.00 0.00 54.97 55.37 1nrn s GLU 80 Cb 0.00 -2.29 -0.01 0.00 -0.44 0.00 0.00 34.13 31.39 1nrn s GLU 80 CO 0.00 -0.22 -0.10 0.21 0.95 0.00 0.00 175.26 176.10 1nrn s LYS 81 N -4.38 0.75 0.00 -4.83 2.20 0.76 -4.91 119.74 109.33 1nrn s LYS 81 Ca 0.52 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 1nrn s LYS 81 Cb -0.10 -0.71 -0.02 0.00 -1.51 0.00 0.00 37.83 35.48 1nrn s LYS 81 CO 0.39 0.19 -0.25 0.42 -0.36 0.00 0.00 175.35 175.74 1nrn s ILE 82 N -0.44 2.15 0.14 5.43 1.01 -1.26 -0.72 121.20 127.51 1nrn s ILE 82 Ca 0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 1nrn s ILE 82 Cb -0.05 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1nrn s ILE 82 CO 0.00 0.50 0.13 -0.44 0.00 0.00 0.00 174.94 175.13 1nrn s SER 83 N -0.85 0.22 -0.06 3.58 0.01 0.28 -4.99 113.70 111.89 1nrn s SER 83 Ca 0.11 -1.08 0.03 0.00 1.31 0.00 0.00 55.95 56.32 1nrn s SER 83 Cb -0.10 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 1nrn s SER 83 CO 0.00 -0.78 -0.14 -0.04 0.41 0.00 0.00 173.24 172.69 1nrn s MET 84 N -4.01 2.61 0.28 12.44 -1.94 -1.26 -0.75 119.30 126.67 1nrn s MET 84 Ca 0.21 -0.70 -0.29 0.00 -1.71 0.00 0.00 55.69 53.20 1nrn s MET 84 Cb 0.06 -2.40 -0.10 0.00 2.01 0.00 0.00 34.83 34.40 1nrn s MET 84 CO 0.01 0.57 1.10 -0.51 -0.01 0.00 0.00 175.02 176.18 1nrn s LEU 85 N -0.59 4.55 0.02 -0.03 1.43 -1.26 -0.51 118.68 122.29 1nrn s LEU 85 Ca 0.08 2.27 0.19 0.00 -1.03 0.00 0.00 54.13 55.65 1nrn s LEU 85 Cb -0.11 -3.63 -0.18 0.00 0.03 0.00 0.00 46.19 42.29 1nrn s LEU 85 CO 0.01 -0.15 0.64 1.21 0.23 0.00 0.00 176.35 178.29 1nrn n GLU 86 N 1.17 0.64 -3.60 1.70 2.13 -0.42 -4.61 120.64 117.65 1nrn n GLU 86 Ca -0.01 0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.82 1nrn n GLU 86 Cb 0.45 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.44 1nrn n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1nrn s LYS 87 N -3.07 0.33 -0.03 5.31 2.20 -1.25 -5.00 119.74 118.23 1nrn s LYS 87 Ca -0.05 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.56 1nrn s LYS 87 Cb 0.10 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1nrn s LYS 87 CO 0.84 -0.13 -0.24 0.42 -0.36 0.00 0.00 175.35 175.87 1nrn s ILE 88 N -2.02 1.92 -0.20 5.43 1.01 -1.26 -2.47 121.20 123.61 1nrn s ILE 88 Ca 0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1nrn s ILE 88 Cb -0.01 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.91 1nrn s ILE 88 CO -0.05 0.54 -0.03 -0.31 0.00 0.00 0.00 174.94 175.09 1nrn s TYR 89 N -0.38 1.82 0.07 3.97 1.51 -1.08 -5.03 117.35 118.23 1nrn s TYR 89 Ca 0.04 -1.31 -0.08 0.00 -1.01 0.00 0.00 57.07 54.71 1nrn s TYR 89 Cb -0.11 -1.35 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 1nrn s TYR 89 CO 0.01 -0.68 0.35 0.42 -1.11 0.00 0.00 175.55 174.54 1nrn s ILE 90 N 1.59 5.17 0.17 2.71 -1.09 -1.26 -2.26 121.20 126.24 1nrn s ILE 90 Ca -0.03 0.29 -0.32 0.00 -2.23 0.00 0.00 60.65 58.37 1nrn s ILE 90 Cb -0.17 -3.62 -0.11 0.00 -1.58 0.00 0.00 42.46 36.98 1nrn s ILE 90 CO -0.07 0.27 1.77 -2.28 -1.23 0.00 0.00 174.94 173.40 1nrn s HIS 91 N -1.41 2.58 0.63 3.97 2.46 -1.15 -4.81 115.29 117.56 1nrn s HIS 91 Ca 0.32 0.19 0.34 0.00 0.47 0.00 0.00 55.06 56.38 1nrn s HIS 91 Cb -0.13 -4.16 1.88 0.00 -0.13 0.00 0.00 32.58 30.04 1nrn s HIS 91 CO 0.19 -4.55 2.14 -1.35 -2.47 0.00 0.00 174.74 168.70 1nrn h PRO 92 N 7.58 0.00 -0.75 2.88 0.11 -1.94 -2.15 132.00 137.72 1nrn h PRO 92 Ca -0.44 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 1nrn h PRO 92 Cb 1.21 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.91 1nrn h PRO 92 CO 0.95 0.00 -0.69 0.54 -0.21 0.00 0.00 178.00 178.59 1nrn n ARG 93 N -3.40 3.49 -2.37 1.05 1.74 -1.26 -5.02 116.66 110.90 1nrn n ARG 93 Ca -0.01 -4.08 -0.42 0.00 -0.77 0.00 0.00 57.85 52.57 1nrn n ARG 93 Cb 0.26 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 1nrn n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nrn s TYR 94 N -3.60 3.28 -0.64 -1.55 5.04 -0.81 -4.75 117.35 114.31 1nrn s TYR 94 Ca 0.52 1.17 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 1nrn s TYR 94 Cb 0.42 -3.49 0.17 0.00 0.35 0.00 0.00 41.96 39.40 1nrn s TYR 94 CO 0.03 -1.59 0.48 -0.80 -1.34 0.00 0.00 175.55 172.33 1nrn s ASN 95 N 1.27 5.54 0.00 4.32 -0.87 -0.55 -4.82 114.94 119.83 1nrn s ASN 95 Ca 0.60 -2.72 0.28 0.00 -1.57 0.00 0.00 52.86 49.44 1nrn s ASN 95 Cb -0.30 -1.93 0.97 0.00 -0.02 0.00 0.00 41.25 39.98 1nrn s ASN 95 CO 0.27 -0.43 1.69 -2.67 -2.57 0.00 0.00 177.10 173.39 1nrn n TRP 96 N 3.72 0.00 0.03 2.20 4.27 -1.26 -0.65 117.44 125.76 1nrn n TRP 96 Ca 0.07 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.50 1nrn n TRP 96 Cb 0.40 -0.06 -0.14 0.00 -1.36 0.00 0.00 31.31 30.14 1nrn n TRP 96 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1nrn h ARG 97 N 1.69 0.25 0.00 -2.67 2.43 -2.00 -3.45 114.38 110.64 1nrn h ARG 97 Ca 0.00 -0.43 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1nrn h ARG 97 Cb 0.48 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1nrn h ARG 97 CO 0.00 1.11 -1.19 -1.91 -1.51 0.00 0.00 179.97 176.47 1nrn n GLU 97 N -3.44 0.45 -0.28 0.20 4.07 -1.25 -5.02 120.64 115.37 1nrn n GLU 97 Ca -0.24 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1nrn n GLU 97 Cb 1.05 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 31.16 1nrn n GLU 97 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1nrn n ASN 98 N -4.23 0.00 -1.89 4.31 0.23 -1.23 -4.89 115.26 107.57 1nrn n ASN 98 Ca -0.20 -0.72 -0.07 0.00 -0.53 0.00 0.00 54.58 53.06 1nrn n ASN 98 Cb 0.53 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.26 1nrn n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nrn n LEU 99 N 0.00 -2.74 -4.70 -4.53 4.77 0.18 -5.02 117.00 104.97 1nrn n LEU 99 Ca 0.00 -0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.34 1nrn n LEU 99 Cb 0.36 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 1nrn n LEU 99 CO 0.00 0.16 0.61 -0.62 -1.33 0.00 0.00 177.39 176.21 1nrn s ASP 100 N -3.46 7.14 -0.98 -1.43 -1.08 -1.19 -3.71 116.67 111.97 1nrn s ASP 100 Ca 0.03 1.39 -0.03 0.00 -0.52 0.00 0.00 52.55 53.42 1nrn s ASP 100 Cb -0.01 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1nrn s ASP 100 CO 0.28 -0.30 0.83 0.54 0.52 0.00 0.00 175.17 177.04 1nrn n ARG 101 N 4.45 -5.55 -2.04 4.34 1.74 -1.26 -1.48 116.66 116.85 1nrn n ARG 101 Ca 0.04 0.65 -0.38 0.00 -0.77 0.00 0.00 57.85 57.39 1nrn n ARG 101 Cb 0.50 -5.11 -0.03 0.00 -1.02 0.00 0.00 32.46 26.80 1nrn n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1nrn n ASP 102 N -2.38 3.77 -3.97 0.55 2.03 -1.24 -4.48 116.55 110.84 1nrn n ASP 102 Ca -0.13 -2.80 -0.09 0.00 0.52 0.00 0.00 54.79 52.30 1nrn n ASP 102 Cb 0.60 -1.63 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 1nrn n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nrn s ILE 103 N 6.40 0.15 -0.27 5.18 2.07 -1.26 -3.79 121.20 129.68 1nrn s ILE 103 Ca 0.58 -1.26 -0.26 0.00 -1.41 0.00 0.00 60.65 58.31 1nrn s ILE 103 Cb 0.06 -1.03 0.14 0.00 0.13 0.00 0.00 42.46 41.76 1nrn s ILE 103 CO 0.08 -0.69 1.11 0.00 -1.91 0.00 0.00 174.94 173.52 1nrn s ALA 104 N -2.93 -2.01 0.32 1.50 0.00 0.15 -2.92 121.76 115.86 1nrn s ALA 104 Ca -0.02 1.81 0.08 0.00 0.00 0.00 0.00 51.96 53.83 1nrn s ALA 104 Cb 0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1nrn s ALA 104 CO -0.06 -0.22 0.21 -0.51 0.00 0.00 0.00 175.76 175.18 1nrn s LEU 105 N 0.03 3.51 -0.35 0.00 1.43 -0.96 0.59 118.68 122.93 1nrn s LEU 105 Ca 0.03 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1nrn s LEU 105 Cb -0.04 -2.06 0.15 0.00 0.03 0.00 0.00 46.19 44.26 1nrn s LEU 105 CO -0.07 -0.25 0.35 -0.04 0.23 0.00 0.00 176.35 176.57 1nrn s MET 106 N -3.90 0.56 -0.89 1.70 -1.94 0.21 -2.62 119.30 112.42 1nrn s MET 106 Ca 0.38 -0.68 -0.26 0.00 -1.71 0.00 0.00 55.69 53.42 1nrn s MET 106 Cb -0.05 -0.71 -0.15 0.00 2.01 0.00 0.00 34.83 35.93 1nrn s MET 106 CO 0.25 -1.15 2.28 0.21 -0.01 0.00 0.00 175.02 176.59 1nrn s LYS 107 N 1.66 1.61 0.27 2.03 2.20 -1.03 -2.72 119.74 123.77 1nrn s LYS 107 Ca 0.15 0.13 -0.26 0.00 -0.36 0.00 0.00 55.97 55.62 1nrn s LYS 107 Cb -0.15 -4.88 -0.16 0.00 -1.51 0.00 0.00 37.83 31.14 1nrn s LYS 107 CO -0.11 -4.61 0.57 1.28 -0.36 0.00 0.00 175.35 172.12 1nrn n LEU 108 N 18.36 -0.66 0.08 5.43 4.77 0.30 -1.30 117.00 143.99 1nrn n LEU 108 Ca 0.45 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 57.39 1nrn n LEU 108 Cb 0.45 -1.03 -0.11 0.00 -2.33 0.00 0.00 43.42 40.40 1nrn n LEU 108 CO 0.56 -2.80 0.09 0.50 -1.33 0.00 0.00 177.39 174.41 1nrn h LYS 109 N 1.09 0.14 -6.72 3.23 3.64 -1.05 -3.41 116.57 113.49 1nrn h LYS 109 Ca -0.33 -0.23 -0.69 0.00 -1.27 0.00 0.00 60.65 58.13 1nrn h LYS 109 Cb 1.41 0.08 -0.23 0.00 -0.41 0.00 0.00 32.23 33.09 1nrn h LYS 109 CO 0.56 1.08 -0.84 0.15 -2.27 0.00 0.00 179.45 178.12 1nrn s LYS 110 N -2.78 1.79 0.83 1.90 -0.14 -1.26 -4.94 119.74 115.14 1nrn s LYS 110 Ca -0.02 -1.14 -0.13 0.00 -1.36 0.00 0.00 55.97 53.33 1nrn s LYS 110 Cb 0.09 -2.05 0.09 0.00 -1.68 0.00 0.00 37.83 34.28 1nrn s LYS 110 CO 0.85 0.50 1.13 -2.30 -0.76 0.00 0.00 175.35 174.77 1nrn n PRO 111 N 1.34 0.05 -3.78 -1.68 -0.01 -1.26 -4.87 135.00 124.78 1nrn n PRO 111 Ca -0.17 0.09 -0.33 0.00 -0.01 0.00 0.00 63.50 63.09 1nrn n PRO 111 Cb 0.52 -2.38 -0.10 0.00 -0.01 0.00 0.00 33.50 31.53 1nrn n PRO 111 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1nrn s VAL 112 N -2.22 3.50 0.23 -1.45 1.01 -0.82 -5.02 120.40 115.63 1nrn s VAL 112 Ca 0.71 -3.66 -0.32 0.00 0.00 0.00 0.00 61.98 58.71 1nrn s VAL 112 Cb -0.28 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 1nrn s VAL 112 CO 0.53 -0.96 1.53 0.00 0.00 0.00 0.00 175.10 176.20 1nrn n ALA 113 N 2.65 1.71 -1.96 5.51 0.00 -1.26 -4.80 120.51 122.36 1nrn n ALA 113 Ca 0.15 0.41 -0.27 0.00 0.00 0.00 0.00 53.44 53.73 1nrn n ALA 113 Cb 0.36 -2.37 0.14 0.00 0.00 0.00 0.00 19.45 17.58 1nrn n ALA 113 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1nrn s PHE 114 N 0.36 1.66 0.00 0.00 0.08 -1.26 -4.97 117.98 113.84 1nrn s PHE 114 Ca 0.71 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.80 1nrn s PHE 114 Cb -0.61 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.32 1nrn s PHE 114 CO 0.44 -2.14 0.00 0.43 -0.10 0.00 0.00 175.22 173.86 1nrn n SER 115 N -3.28 0.00 0.29 1.36 7.64 -0.41 -4.95 113.62 114.27 1nrn n SER 115 Ca 0.15 -0.32 0.15 0.00 1.01 0.00 0.00 58.87 59.85 1nrn n SER 115 Cb 0.60 0.00 0.88 0.00 -1.01 0.00 0.00 64.21 64.68 1nrn n SER 115 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1nrn h ASP 116 N 0.00 0.00 -0.08 6.43 5.19 -1.98 -2.78 116.42 123.20 1nrn h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nrn h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nrn h ASP 116 CO 0.00 0.03 0.00 -1.22 -3.12 0.00 0.00 179.24 174.93 1nrn n TYR 117 N -3.78 0.11 -3.67 4.55 4.02 -1.26 -4.78 117.16 112.34 1nrn n TYR 117 Ca -0.03 -0.31 -0.27 0.00 -0.01 0.00 0.00 57.90 57.28 1nrn n TYR 117 Cb 0.12 -0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.25 1nrn n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nrn s ILE 118 N -0.76 0.27 -0.25 -0.72 1.01 -1.05 -4.02 121.20 115.68 1nrn s ILE 118 Ca 0.07 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1nrn s ILE 118 Cb 0.04 -0.89 0.07 0.00 0.01 0.00 0.00 42.46 41.70 1nrn s ILE 118 CO 0.06 -0.30 0.63 -2.28 0.00 0.00 0.00 174.94 173.05 1nrn s HIS 119 N 1.97 -0.90 0.65 3.97 2.46 -0.45 -1.29 115.29 121.69 1nrn s HIS 119 Ca 0.01 1.89 -0.16 0.00 0.47 0.00 0.00 55.06 57.27 1nrn s HIS 119 Cb -0.17 0.48 -0.00 0.00 -0.13 0.00 0.00 32.58 32.76 1nrn s HIS 119 CO -0.11 -0.45 1.16 -1.25 -2.47 0.00 0.00 174.74 171.62 1nrn s PRO 120 N 1.29 2.72 0.35 2.88 0.05 -1.26 -2.70 135.00 138.32 1nrn s PRO 120 Ca -0.08 1.63 -0.00 0.00 0.05 0.00 0.00 61.00 62.60 1nrn s PRO 120 Cb -0.05 -1.92 -0.03 0.00 0.05 0.00 0.00 34.50 32.54 1nrn s PRO 120 CO -0.14 -1.36 0.57 0.54 0.05 0.00 0.00 177.00 176.66 1nrn s VAL 121 N -1.99 5.09 0.24 -0.36 0.11 -0.83 -4.92 120.40 117.75 1nrn s VAL 121 Ca 0.72 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 59.29 1nrn s VAL 121 Cb -0.26 -3.85 -0.07 0.00 -1.53 0.00 0.00 36.38 30.67 1nrn s VAL 121 CO 0.39 -0.57 0.57 0.00 -3.33 0.00 0.00 175.10 172.16 1nrn s LEU 123 N -2.88 4.29 0.69 0.00 1.43 -1.26 -0.79 118.68 120.15 1nrn s LEU 123 Ca 0.48 0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 1nrn s LEU 123 Cb -0.11 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1nrn s LEU 123 CO 0.21 0.24 1.18 -2.16 0.23 0.00 0.00 176.35 176.05 1nrn s PRO 124 N -0.10 2.43 0.17 1.29 0.04 -1.26 -4.95 135.00 132.61 1nrn s PRO 124 Ca 0.13 1.67 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1nrn s PRO 124 Cb -0.12 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1nrn s PRO 124 CO 0.02 -1.60 0.15 0.16 0.04 0.00 0.00 177.00 175.78 1nrn s ASP 125 N -2.11 5.58 0.45 6.66 -4.77 -1.26 -4.94 116.67 116.28 1nrn s ASP 125 Ca 0.73 -0.12 0.23 0.00 -3.30 0.00 0.00 52.55 50.09 1nrn s ASP 125 Cb -0.27 -1.47 1.23 0.00 -1.09 0.00 0.00 42.92 41.32 1nrn s ASP 125 CO 0.42 0.06 1.81 -0.09 0.70 0.00 0.00 175.17 178.07 1nrn h ARG 126 N 2.30 0.27 0.22 2.11 1.12 -1.97 -1.21 114.38 117.22 1nrn h ARG 126 Ca -0.48 -0.02 -0.32 0.00 -1.11 0.00 0.00 59.98 58.05 1nrn h ARG 126 Cb 1.20 -0.06 0.03 0.00 -0.01 0.00 0.00 29.97 31.13 1nrn h ARG 126 CO 0.63 0.18 -1.46 1.05 -3.11 0.00 0.00 179.97 177.26 1nrn h GLU 127 N 0.27 0.46 -0.07 0.20 4.11 -2.04 -2.35 114.58 115.17 1nrn h GLU 127 Ca 0.54 -0.78 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1nrn h GLU 127 Cb 1.60 0.29 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1nrn h GLU 127 CO -0.18 1.37 0.00 2.41 0.07 0.00 0.00 179.01 182.68 1nrn n THR 128 N -3.65 0.00 0.00 -1.06 -1.04 -0.46 -1.64 114.28 106.43 1nrn n THR 128 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1nrn n THR 128 Cb 1.08 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.54 1nrn n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nrn n ALA 129 N 0.42 0.00 0.30 2.41 0.00 -0.89 -2.08 120.51 120.68 1nrn n ALA 129 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1nrn n ALA 129 Cb 0.02 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.67 1nrn n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nrn h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.60 -3.38 113.55 113.21 1nrn h SER 129 Ca 0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1nrn h SER 129 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1nrn h SER 129 CO 0.00 0.00 -1.77 0.18 -0.87 0.00 0.00 176.83 174.37 1nrn n LEU 129 N -2.86 0.00 -3.85 5.97 4.77 -0.88 -4.71 117.00 115.43 1nrn n LEU 129 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1nrn n LEU 129 Cb 0.51 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 1nrn n LEU 129 CO 0.34 0.20 2.53 0.18 -1.33 0.00 0.00 177.39 179.30 1nrn n LEU 130 N -2.28 6.33 -4.03 2.23 4.77 -1.26 -4.79 117.00 117.96 1nrn n LEU 130 Ca -0.14 -4.00 -0.23 0.00 -0.03 0.00 0.00 56.01 51.62 1nrn n LEU 130 Cb 0.71 -1.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.01 1nrn n LEU 130 CO 0.27 0.82 -0.46 -1.10 -1.33 0.00 0.00 177.39 175.59 1nrn s GLN 131 N 3.53 1.29 0.13 3.23 -0.21 -1.26 -4.99 119.66 121.38 1nrn s GLN 131 Ca 0.49 -0.39 -0.35 0.00 0.02 0.00 0.00 55.36 55.13 1nrn s GLN 131 Cb 0.12 -1.15 -0.16 0.00 1.00 0.00 0.00 33.01 32.83 1nrn s GLN 131 CO -0.05 0.12 1.39 0.00 -2.12 0.00 0.00 175.29 174.64 1nrn n ALA 132 N 3.37 -0.17 0.00 6.09 0.00 -1.26 -0.81 120.51 127.73 1nrn n ALA 132 Ca -0.19 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nrn n ALA 132 Cb 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1nrn n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nrn n GLY 133 N 2.68 2.82 3.74 0.00 0.00 0.17 -4.89 105.19 109.71 1nrn n GLY 133 Ca 0.17 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1nrn n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrn s TYR 134 N -1.42 3.01 0.27 1.61 1.51 0.01 -4.44 117.35 117.90 1nrn s TYR 134 Ca 0.00 0.87 -0.12 0.00 -1.01 0.00 0.00 57.07 56.81 1nrn s TYR 134 Cb 0.00 -3.88 -0.08 0.00 -0.11 0.00 0.00 41.96 37.89 1nrn s TYR 134 CO 0.00 -3.00 0.63 0.15 -1.11 0.00 0.00 175.55 172.22 1nrn s LYS 135 N 0.15 3.89 0.31 -0.62 1.02 -1.26 -0.51 119.74 122.72 1nrn s LYS 135 Ca 0.63 0.44 0.03 0.00 0.02 0.00 0.00 55.97 57.10 1nrn s LYS 135 Cb -0.43 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1nrn s LYS 135 CO 0.39 0.25 0.07 0.20 -0.92 0.00 0.00 175.35 175.34 1nrn s GLY 136 N -2.31 2.02 -0.08 -3.33 0.00 -0.13 -4.86 107.32 98.62 1nrn s GLY 136 Ca 0.50 -2.02 0.01 0.00 0.00 0.00 0.00 44.72 43.21 1nrn s GLY 136 CO 0.20 -1.78 -0.11 -1.60 0.00 0.00 0.00 173.10 169.81 1nrn s ARG 137 N -3.92 1.67 -0.08 2.90 3.52 0.64 -0.71 118.95 122.97 1nrn s ARG 137 Ca 0.37 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 1nrn s ARG 137 Cb 0.09 -1.50 -0.02 0.00 -1.56 0.00 0.00 34.95 31.96 1nrn s ARG 137 CO 0.15 -0.08 -0.14 0.08 -0.81 0.00 0.00 175.30 174.50 1nrn s VAL 138 N 1.05 3.03 0.12 7.11 1.01 -0.47 -1.28 120.40 130.96 1nrn s VAL 138 Ca -0.07 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1nrn s VAL 138 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1nrn s VAL 138 CO -0.01 0.56 -0.16 0.42 0.00 0.00 0.00 175.10 175.92 1nrn s THR 139 N -0.27 1.42 0.00 3.92 -4.23 -1.25 -2.07 115.64 113.16 1nrn s THR 139 Ca 0.02 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1nrn s THR 139 Cb -0.13 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1nrn s THR 139 CO 0.03 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1nrn n GLY 140 N 0.72 2.04 2.20 3.99 0.00 -0.96 -4.59 105.19 108.59 1nrn n GLY 140 Ca -0.17 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1nrn n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nrn n TRP 141 N -0.57 2.82 -1.15 1.61 8.01 -1.26 -2.35 117.44 124.56 1nrn n TRP 141 Ca 0.00 -2.55 -0.22 0.00 -1.31 0.00 0.00 57.50 53.42 1nrn n TRP 141 Cb 0.00 -1.24 0.17 0.00 -2.01 0.00 0.00 31.31 28.23 1nrn n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nrn n GLY 142 N -0.70 -2.28 3.74 6.99 0.00 -1.26 -4.71 105.19 106.97 1nrn n GLY 142 Ca 0.55 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1nrn n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nrn s ASN 143 N -3.94 7.01 -0.02 1.61 -0.87 -0.71 -3.77 114.94 114.25 1nrn s ASN 143 Ca 0.53 2.30 0.02 0.00 -1.57 0.00 0.00 52.86 54.13 1nrn s ASN 143 Cb -0.04 -2.61 0.09 0.00 -0.02 0.00 0.00 41.25 38.67 1nrn s ASN 143 CO 0.39 -0.44 0.82 0.18 -2.57 0.00 0.00 177.10 175.49 1nrn n LEU 144 N 2.60 1.07 0.00 0.60 4.77 0.71 -3.28 117.00 123.47 1nrn n LEU 144 Ca 0.05 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1nrn n LEU 144 Cb 0.44 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1nrn n LEU 144 CO 0.57 0.22 0.00 0.29 -1.33 0.00 0.00 177.39 177.13 1nrn n LYS 145 N -0.07 0.00 -0.21 3.23 4.76 -1.26 -4.70 118.16 119.91 1nrn n LYS 145 Ca 0.03 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.53 1nrn n LYS 145 Cb 0.23 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.59 1nrn n LYS 145 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1nrn n GLU 146 N 0.00 1.94 -0.39 1.97 2.13 -1.26 -4.86 120.64 120.17 1nrn n GLU 146 Ca 0.00 -1.32 0.00 0.00 0.66 0.00 0.00 57.16 56.50 1nrn n GLU 146 Cb 0.00 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1nrn n GLU 146 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1nrn n LYS 149 N 0.53 0.00 -0.04 5.31 0.00 -1.26 -4.99 118.16 117.71 1nrn n LYS 149 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.46 1nrn n LYS 149 Cb 0.34 -0.39 0.06 0.00 0.00 0.00 0.00 35.03 35.04 1nrn n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nrn n GLY 150 N 1.38 -0.12 3.22 3.14 0.00 -1.26 -3.95 105.19 107.60 1nrn n GLY 150 Ca 0.00 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1nrn n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nrn s GLN 151 N -4.41 3.10 1.43 1.61 -0.21 -1.26 0.26 119.66 120.17 1nrn s GLN 151 Ca -0.01 -0.83 -0.22 0.00 0.02 0.00 0.00 55.36 54.32 1nrn s GLN 151 Cb 0.04 -2.45 0.37 0.00 1.00 0.00 0.00 33.01 31.96 1nrn s GLN 151 CO 0.09 0.06 0.92 -1.25 -2.12 0.00 0.00 175.29 172.99 1nrn s PRO 152 N 0.65 -2.98 -0.04 2.91 0.04 -1.25 -4.97 135.00 129.35 1nrn s PRO 152 Ca -0.10 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.24 1nrn s PRO 152 Cb -0.16 -1.36 -0.12 0.00 0.04 0.00 0.00 34.50 32.89 1nrn s PRO 152 CO 0.02 -4.93 0.13 -1.13 0.04 0.00 0.00 177.00 171.13 1nrn n SER 153 N -5.68 2.94 -3.97 6.66 3.41 -1.26 -4.88 113.62 110.83 1nrn n SER 153 Ca 0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1nrn n SER 153 Cb 0.60 1.11 -0.13 0.00 -0.26 0.00 0.00 64.21 65.53 1nrn n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nrn s VAL 154 N -2.45 0.29 0.04 -3.33 0.11 -1.26 -2.37 120.40 111.44 1nrn s VAL 154 Ca -0.04 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 1nrn s VAL 154 Cb 0.04 -0.33 -0.12 0.00 -1.53 0.00 0.00 36.38 34.44 1nrn s VAL 154 CO 0.36 -0.17 0.58 -0.11 -3.33 0.00 0.00 175.10 172.43 1nrn n LEU 155 N 2.29 -0.26 -4.75 2.54 7.94 -0.24 -4.64 117.00 119.89 1nrn n LEU 155 Ca -0.18 0.75 -0.30 0.00 -1.11 0.00 0.00 56.01 55.17 1nrn n LEU 155 Cb 0.57 -0.60 -0.07 0.00 0.53 0.00 0.00 43.42 43.85 1nrn n LEU 155 CO 0.23 -1.46 -0.28 -1.10 -1.11 0.00 0.00 177.39 173.66 1nrn s GLN 156 N -0.20 2.77 -0.02 1.96 -1.52 -0.99 0.12 119.66 121.78 1nrn s GLN 156 Ca 0.54 -0.76 -0.06 0.00 -1.95 0.00 0.00 55.36 53.13 1nrn s GLN 156 Cb -0.76 -2.66 0.01 0.00 -0.22 0.00 0.00 33.01 29.38 1nrn s GLN 156 CO 0.37 0.55 0.14 0.54 -0.25 0.00 0.00 175.29 176.64 1nrn s VAL 157 N -1.40 0.05 -0.19 1.09 0.11 0.29 -2.27 120.40 118.09 1nrn s VAL 157 Ca 0.28 -0.41 -0.25 0.00 -2.93 0.00 0.00 61.98 58.68 1nrn s VAL 157 Cb -0.12 -0.34 0.06 0.00 -1.53 0.00 0.00 36.38 34.45 1nrn s VAL 157 CO 0.21 -0.22 0.66 0.54 -3.33 0.00 0.00 175.10 172.95 1nrn s VAL 158 N -0.77 0.00 -0.20 2.04 0.11 -0.88 -1.09 120.40 119.62 1nrn s VAL 158 Ca -0.09 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 1nrn s VAL 158 Cb -0.05 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1nrn s VAL 158 CO 0.01 -0.01 0.10 0.20 -3.33 0.00 0.00 175.10 172.06 1nrn s ASN 159 N -0.12 5.88 -0.04 3.54 0.01 -1.26 -1.37 114.94 121.59 1nrn s ASN 159 Ca -0.03 0.13 0.02 0.00 -0.71 0.00 0.00 52.86 52.27 1nrn s ASN 159 Cb -0.03 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.62 1nrn s ASN 159 CO 0.03 0.16 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.96 1nrn s LEU 160 N 0.45 1.57 0.54 0.60 1.43 0.11 -4.92 118.68 118.45 1nrn s LEU 160 Ca 0.05 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 1nrn s LEU 160 Cb -0.12 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 1nrn s LEU 160 CO -0.00 0.00 1.13 -2.16 0.23 0.00 0.00 176.35 175.55 1nrn s PRO 161 N 0.56 3.39 0.29 1.29 0.05 -1.26 -0.96 135.00 138.37 1nrn s PRO 161 Ca -0.08 1.63 -0.28 0.00 0.05 0.00 0.00 61.00 62.32 1nrn s PRO 161 Cb -0.12 -2.04 -0.09 0.00 0.05 0.00 0.00 34.50 32.30 1nrn s PRO 161 CO 0.01 -0.82 0.98 0.42 0.05 0.00 0.00 177.00 177.63 1nrn s ILE 162 N -1.75 3.97 -0.00 0.56 1.01 0.34 -1.40 121.20 123.92 1nrn s ILE 162 Ca 0.72 1.82 0.03 0.00 0.00 0.00 0.00 60.65 63.21 1nrn s ILE 162 Cb -0.24 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1nrn s ILE 162 CO 0.28 0.30 -0.06 -0.69 0.00 0.00 0.00 174.94 174.77 1nrn s VAL 163 N -1.37 3.70 0.41 2.92 1.01 -1.01 0.46 120.40 126.52 1nrn s VAL 163 Ca 0.46 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 1nrn s VAL 163 Cb -0.24 -2.60 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 1nrn s VAL 163 CO 0.30 0.41 1.45 -1.83 0.00 0.00 0.00 175.10 175.43 1nrn s GLU 164 N -1.38 3.91 0.25 2.72 1.03 -1.26 -4.62 118.70 119.36 1nrn s GLU 164 Ca 0.17 2.47 -0.04 0.00 0.03 0.00 0.00 54.97 57.60 1nrn s GLU 164 Cb -0.11 -2.82 0.49 0.00 -0.80 0.00 0.00 34.13 30.89 1nrn s GLU 164 CO 0.07 -0.65 1.68 0.00 -1.33 0.00 0.00 175.26 175.03 1nrn h ARG 165 N 2.68 0.26 -0.67 -4.83 3.08 -1.99 -1.92 114.38 110.99 1nrn h ARG 165 Ca -0.51 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.54 1nrn h ARG 165 Cb 1.25 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1nrn h ARG 165 CO 0.63 0.17 0.44 -1.00 -1.07 0.00 0.00 179.97 179.14 1nrn h PRO 166 N 0.27 0.88 -0.51 0.04 0.14 -1.99 0.74 132.00 131.57 1nrn h PRO 166 Ca 0.43 -0.05 -0.06 0.00 0.14 0.00 0.00 66.00 66.46 1nrn h PRO 166 Cb 0.75 -0.20 -0.02 0.00 0.14 0.00 0.00 31.00 31.67 1nrn h PRO 166 CO -0.53 0.58 0.10 0.28 0.14 0.00 0.00 178.00 178.57 1nrn h VAL 167 N 0.90 1.25 -0.16 1.56 2.07 -1.84 -2.22 116.25 117.81 1nrn h VAL 167 Ca 0.25 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1nrn h VAL 167 Cb -0.09 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1nrn h VAL 167 CO -0.06 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 1nrn h LYS 169 N 0.05 0.43 -0.85 0.00 1.57 -0.69 -2.78 116.57 114.29 1nrn h LYS 169 Ca 0.08 -0.09 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 1nrn h LYS 169 Cb 0.10 -0.06 -0.21 0.00 0.08 0.00 0.00 32.23 32.13 1nrn h LYS 169 CO -0.13 0.49 0.44 -0.25 -0.57 0.00 0.00 179.45 179.43 1nrn n ASP 170 N -4.28 4.23 -0.00 0.86 9.92 -0.85 -3.46 116.55 122.96 1nrn n ASP 170 Ca 0.01 -3.43 0.06 0.00 -0.53 0.00 0.00 54.79 50.90 1nrn n ASP 170 Cb 0.25 -0.79 -0.09 0.00 -0.64 0.00 0.00 41.12 39.85 1nrn n ASP 170 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1nrn n SER 171 N -0.67 1.54 -4.14 -2.24 2.88 -1.05 -5.02 113.62 104.91 1nrn n SER 171 Ca 0.50 -0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1nrn n SER 171 Cb 1.52 1.38 -0.09 0.00 -0.75 0.00 0.00 64.21 66.27 1nrn n SER 171 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1nrn s THR 172 N -2.64 0.02 -1.52 2.46 -1.32 -1.22 -4.82 115.64 106.59 1nrn s THR 172 Ca -0.01 -1.84 0.13 0.00 -1.21 0.00 0.00 61.69 58.75 1nrn s THR 172 Cb 0.09 -2.35 0.12 0.00 -1.51 0.00 0.00 72.50 68.85 1nrn s THR 172 CO 0.53 -0.07 0.94 -1.14 -2.21 0.00 0.00 174.62 172.66 1nrn n ARG 173 N -0.27 0.95 -2.56 7.08 3.00 -1.26 -4.90 116.66 118.70 1nrn n ARG 173 Ca -0.00 -1.33 -0.33 0.00 -0.00 0.00 0.00 57.85 56.19 1nrn n ARG 173 Cb 0.65 -1.25 -0.04 0.00 0.00 0.00 0.00 32.46 31.82 1nrn n ARG 173 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1nrn s ILE 174 N -1.04 4.28 -0.40 5.15 2.07 -1.26 -5.00 121.20 124.99 1nrn s ILE 174 Ca 0.16 1.28 -0.25 0.00 -1.41 0.00 0.00 60.65 60.43 1nrn s ILE 174 Cb 0.11 -3.59 0.02 0.00 0.13 0.00 0.00 42.46 39.12 1nrn s ILE 174 CO 0.16 -0.44 0.88 -0.60 -1.91 0.00 0.00 174.94 173.02 1nrn s ARG 175 N -3.56 3.70 0.14 3.50 3.52 -1.26 -5.02 118.95 119.96 1nrn s ARG 175 Ca 0.62 0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 56.30 1nrn s ARG 175 Cb -0.11 -3.85 -0.07 0.00 -1.56 0.00 0.00 34.95 29.35 1nrn s ARG 175 CO 0.22 -1.02 0.80 0.42 -0.81 0.00 0.00 175.30 174.92 1nrn s ILE 176 N 3.45 4.44 0.48 4.11 -1.09 -1.26 -4.89 121.20 126.44 1nrn s ILE 176 Ca 0.35 1.75 0.05 0.00 -2.23 0.00 0.00 60.65 60.58 1nrn s ILE 176 Cb -0.12 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1nrn s ILE 176 CO 0.21 0.47 0.22 0.42 -1.23 0.00 0.00 174.94 175.02 1nrn s THR 177 N -0.79 1.78 -0.98 2.92 -4.23 -1.26 -5.03 115.64 108.05 1nrn s THR 177 Ca 0.38 -1.70 0.20 0.00 -1.18 0.00 0.00 61.69 59.39 1nrn s THR 177 Cb -0.23 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.30 1nrn s THR 177 CO 0.26 0.00 1.65 0.47 -0.54 0.00 0.00 174.62 176.46 1nrn n ASP 178 N -1.44 0.04 -1.80 3.99 8.00 -1.26 -2.69 116.55 121.39 1nrn n ASP 178 Ca -0.06 0.51 0.03 0.00 0.71 0.00 0.00 54.79 55.98 1nrn n ASP 178 Cb 0.65 -0.52 0.35 0.00 -0.02 0.00 0.00 41.12 41.58 1nrn n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nrn n ASN 179 N -1.54 5.14 -4.12 -2.24 3.02 -1.26 -4.90 115.26 109.36 1nrn n ASN 179 Ca 0.05 -2.91 -0.09 0.00 -0.03 0.00 0.00 54.58 51.60 1nrn n ASN 179 Cb 0.24 -0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 1nrn n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nrn s MET 180 N -2.64 0.73 -0.03 3.52 -1.94 -1.09 -1.09 119.30 116.74 1nrn s MET 180 Ca 0.50 -1.29 -0.27 0.00 -1.71 0.00 0.00 55.69 52.91 1nrn s MET 180 Cb 0.38 0.09 0.06 0.00 2.01 0.00 0.00 34.83 37.37 1nrn s MET 180 CO 0.14 -0.11 0.60 -0.59 -0.01 0.00 0.00 175.02 175.06 1nrn s PHE 181 N -3.85 -0.56 0.23 -0.03 -0.12 -1.02 -4.84 117.98 107.78 1nrn s PHE 181 Ca 0.11 0.92 0.10 0.00 -0.05 0.00 0.00 56.93 58.02 1nrn s PHE 181 Cb 0.07 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1nrn s PHE 181 CO -0.07 -0.58 -0.14 0.00 -0.05 0.00 0.00 175.22 174.39 1nrn s ALA 183 N -2.03 -0.34 0.00 0.00 0.00 -0.55 -2.41 121.76 116.44 1nrn s ALA 183 Ca 0.27 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1nrn s ALA 183 Cb -0.07 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1nrn s ALA 183 CO 0.15 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1nrn n GLY 184 N 0.04 3.43 3.86 0.00 0.00 -0.50 -2.19 105.19 109.83 1nrn n GLY 184 Ca -0.16 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1nrn n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrn s TYR 184 N -2.01 3.49 0.83 1.61 2.02 -1.26 -4.54 117.35 117.49 1nrn s TYR 184 Ca 0.00 1.22 -0.12 0.00 -0.37 0.00 0.00 57.07 57.80 1nrn s TYR 184 Cb 0.00 -2.60 0.10 0.00 -0.40 0.00 0.00 41.96 39.06 1nrn s TYR 184 CO 0.00 -0.29 1.19 0.15 -1.57 0.00 0.00 175.55 175.03 1nrn s LYS 185 N -4.16 1.71 0.09 -0.62 1.02 -1.26 -4.86 119.74 111.66 1nrn s LYS 185 Ca 0.54 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 56.20 1nrn s LYS 185 Cb -0.10 -1.95 -0.14 0.00 -0.52 0.00 0.00 37.83 35.11 1nrn s LYS 185 CO 0.35 -1.73 1.64 -1.35 -0.92 0.00 0.00 175.35 173.34 1nrn h PRO 186 N -1.13 -0.62 -0.05 -1.68 0.10 -1.97 -2.91 132.00 123.74 1nrn h PRO 186 Ca -0.45 0.04 -0.14 0.00 0.10 0.00 0.00 66.00 65.55 1nrn h PRO 186 Cb 1.31 0.14 -0.01 0.00 0.10 0.00 0.00 31.00 32.54 1nrn h PRO 186 CO 0.60 -0.41 -0.60 -0.44 0.10 0.00 0.00 178.00 177.24 1nrn h ASP 186 N -0.64 0.20 -0.45 -2.05 3.32 -1.95 -3.33 116.42 111.51 1nrn h ASP 186 Ca -0.03 -0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.07 1nrn h ASP 186 Cb 0.56 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 1nrn h ASP 186 CO -0.00 0.75 0.15 1.21 -1.72 0.00 0.00 179.24 179.63 1nrn n GLU 186 N -3.86 -0.03 -0.79 3.56 4.07 -1.10 -4.71 120.64 117.78 1nrn n GLU 186 Ca -0.02 0.65 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 1nrn n GLU 186 Cb 0.61 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 1nrn n GLU 186 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nrn n GLY 186 N -1.17 1.12 3.58 8.31 0.00 -1.25 -5.02 105.19 110.77 1nrn n GLY 186 Ca 0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1nrn n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nrn s LYS 186 N -1.77 0.41 0.00 1.61 2.20 -1.26 -5.19 119.74 115.74 1nrn s LYS 186 Ca 0.00 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1nrn s LYS 186 Cb 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1nrn s LYS 186 CO 0.00 -0.18 0.00 0.54 -0.36 0.00 0.00 175.35 175.35 1nrn n ARG 187 N -0.14 0.24 0.00 4.03 1.74 -1.26 -4.70 116.66 116.57 1nrn n ARG 187 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1nrn n ARG 187 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1nrn n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nrn n GLY 188 N 0.50 4.69 3.59 -0.13 0.00 -1.25 -4.91 105.19 107.67 1nrn n GLY 188 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 1nrn n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nrn s ASP 189 N 0.00 -0.18 0.73 1.61 2.15 -0.75 -4.76 116.67 115.47 1nrn s ASP 189 Ca 0.00 -0.05 -0.11 0.00 0.43 0.00 0.00 52.55 52.82 1nrn s ASP 189 Cb 0.00 0.22 0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1nrn s ASP 189 CO 0.00 -0.37 1.09 0.00 -0.17 0.00 0.00 175.17 175.72 1nrn s ALA 190 N -2.63 2.67 0.34 3.66 0.00 -1.26 0.18 121.76 124.72 1nrn s ALA 190 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1nrn s ALA 190 Cb -0.00 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1nrn s ALA 190 CO -0.05 -1.31 0.57 0.00 0.00 0.00 0.00 175.76 174.97 1nrn n GLU 192 N -0.51 1.65 0.00 0.00 2.13 -1.26 -1.16 120.64 121.49 1nrn n GLU 192 Ca -0.03 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1nrn n GLU 192 Cb 0.53 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.01 1nrn n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nrn n GLY 193 N 2.55 1.61 0.07 8.31 0.00 -1.26 -1.74 105.19 114.72 1nrn n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1nrn n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nrn h ASP 194 N 0.00 0.00 -2.59 1.61 3.32 -1.47 -3.35 116.42 113.94 1nrn h ASP 194 Ca 0.00 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 56.25 1nrn h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1nrn h ASP 194 CO 0.00 0.10 0.02 -0.24 -1.72 0.00 0.00 179.24 177.40 1nrn n SER 195 N -2.20 0.78 0.00 6.45 2.88 -1.26 -1.43 113.62 118.84 1nrn n SER 195 Ca 0.02 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1nrn n SER 195 Cb 0.46 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1nrn n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nrn n GLY 196 N 1.34 1.53 3.78 0.46 0.00 -0.79 -0.13 105.19 111.38 1nrn n GLY 196 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1nrn n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nrn s GLY 197 N -1.88 2.77 0.44 -0.02 0.00 -0.51 -3.09 107.32 105.03 1nrn s GLY 197 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 44.72 45.27 1nrn s GLY 197 CO 0.00 1.23 1.04 2.56 0.00 0.00 0.00 173.10 177.93 1nrn s PRO 198 N -2.46 4.01 -0.32 2.90 0.04 -1.26 -0.23 135.00 137.68 1nrn s PRO 198 Ca 0.58 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1nrn s PRO 198 Cb -0.24 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.02 1nrn s PRO 198 CO 0.31 -0.27 0.03 0.12 0.04 0.00 0.00 177.00 177.23 1nrn s PHE 199 N -1.80 3.37 0.32 0.56 2.19 0.12 -3.85 117.98 118.88 1nrn s PHE 199 Ca 0.62 -2.10 0.09 0.00 0.33 0.00 0.00 56.93 55.86 1nrn s PHE 199 Cb -0.19 -2.37 -0.04 0.00 -1.31 0.00 0.00 43.02 39.10 1nrn s PHE 199 CO 0.24 -0.85 0.07 0.14 1.83 0.00 0.00 175.22 176.65 1nrn s VAL 200 N 1.19 3.11 -0.01 3.12 -7.23 -0.40 -0.97 120.40 119.21 1nrn s VAL 200 Ca -0.02 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1nrn s VAL 200 Cb -0.20 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1nrn s VAL 200 CO -0.03 -0.25 0.10 -0.04 -0.31 0.00 0.00 175.10 174.57 1nrn s MET 201 N -3.77 0.32 -0.25 4.82 -1.94 -0.52 -0.26 119.30 117.70 1nrn s MET 201 Ca 0.35 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.97 1nrn s MET 201 Cb -0.03 0.13 -0.05 0.00 2.01 0.00 0.00 34.83 36.89 1nrn s MET 201 CO 0.21 -0.07 0.21 0.21 -0.01 0.00 0.00 175.02 175.58 1nrn s LYS 202 N -0.88 4.04 -0.27 2.03 2.20 -1.26 -0.43 119.74 125.17 1nrn s LYS 202 Ca -0.10 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.02 1nrn s LYS 202 Cb -0.06 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1nrn s LYS 202 CO 0.01 -0.05 1.18 0.45 -0.36 0.00 0.00 175.35 176.57 1nrn s SER 203 N 1.32 6.88 0.00 1.43 0.15 0.10 -4.89 113.70 118.70 1nrn s SER 203 Ca 0.09 1.27 0.09 0.00 0.70 0.00 0.00 55.95 58.11 1nrn s SER 203 Cb -0.15 -2.54 0.53 0.00 -1.71 0.00 0.00 66.02 62.16 1nrn s SER 203 CO 0.07 -0.89 1.05 -0.81 1.20 0.00 0.00 173.24 173.86 1nrn n PRO 204 N 6.88 0.25 -0.10 5.44 -0.05 -1.26 -0.31 135.00 145.85 1nrn n PRO 204 Ca 0.13 0.05 -0.21 0.00 -0.05 0.00 0.00 63.50 63.43 1nrn n PRO 204 Cb 0.46 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.29 1nrn n PRO 204 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1nrn n PHE 204 N -1.07 0.37 0.04 0.54 3.72 -1.26 -4.64 117.46 115.16 1nrn n PHE 204 Ca 0.06 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1nrn n PHE 204 Cb 0.04 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.54 1nrn n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1nrn n ASN 204 N -3.54 0.73 -2.41 4.37 2.04 -1.18 -5.01 115.26 110.26 1nrn n ASN 204 Ca -0.43 -0.87 -0.18 0.00 -0.44 0.00 0.00 54.58 52.66 1nrn n ASN 204 Cb 0.97 0.34 0.03 0.00 -2.53 0.00 0.00 39.78 38.58 1nrn n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1nrn n ASN 205 N -0.31 -5.22 -4.70 0.53 0.23 0.57 -5.02 115.26 101.35 1nrn n ASN 205 Ca 0.00 -0.21 -0.28 0.00 -0.53 0.00 0.00 54.58 53.56 1nrn n ASN 205 Cb 0.02 -4.09 -0.07 0.00 -2.08 0.00 0.00 39.78 33.56 1nrn n ASN 205 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1nrn s ARG 206 N -5.40 2.58 -0.11 -3.83 0.52 -1.24 -4.86 118.95 106.61 1nrn s ARG 206 Ca 0.22 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 1nrn s ARG 206 Cb -0.10 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 1nrn s ARG 206 CO 0.27 0.50 0.36 -1.58 0.02 0.00 0.00 175.30 174.88 1nrn s TRP 207 N -1.54 3.55 -0.01 -0.53 0.52 -1.26 0.02 118.94 119.69 1nrn s TRP 207 Ca 0.27 0.77 0.07 0.00 0.02 0.00 0.00 56.10 57.24 1nrn s TRP 207 Cb -0.11 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1nrn s TRP 207 CO 0.20 0.35 -0.22 0.71 0.02 0.00 0.00 176.95 178.00 1nrn s TYR 208 N 0.04 1.96 -0.46 -1.98 2.02 0.43 -2.23 117.35 117.13 1nrn s TYR 208 Ca 0.21 -0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.32 1nrn s TYR 208 Cb -0.14 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1nrn s TYR 208 CO 0.08 -0.02 0.71 -1.14 -1.57 0.00 0.00 175.55 173.62 1nrn s GLN 209 N -0.60 3.31 -0.05 -0.62 0.74 0.03 -1.44 119.66 121.03 1nrn s GLN 209 Ca 0.08 -0.31 0.09 0.00 0.05 0.00 0.00 55.36 55.27 1nrn s GLN 209 Cb -0.08 -3.97 -0.24 0.00 1.10 0.00 0.00 33.01 29.82 1nrn s GLN 209 CO -0.01 -1.10 0.62 -1.33 -0.55 0.00 0.00 175.29 172.93 1nrn n MET 210 N 6.50 0.66 -3.97 1.67 2.81 -0.15 -4.32 117.12 120.32 1nrn n MET 210 Ca -0.00 0.30 -0.10 0.00 -1.81 0.00 0.00 57.70 56.09 1nrn n MET 210 Cb 0.48 -1.78 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 1nrn n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1nrn s GLY 211 N -5.19 0.58 -0.12 3.03 0.00 -0.91 -2.12 107.32 102.59 1nrn s GLY 211 Ca -0.08 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1nrn s GLY 211 CO 0.82 -0.57 -0.16 -0.42 0.00 0.00 0.00 173.10 172.77 1nrn s ILE 212 N -3.62 1.61 -0.03 0.90 1.01 -1.06 0.14 121.20 120.15 1nrn s ILE 212 Ca 0.21 -0.70 -0.36 0.00 0.00 0.00 0.00 60.65 59.81 1nrn s ILE 212 Cb -0.02 -1.47 -0.14 0.00 0.01 0.00 0.00 42.46 40.84 1nrn s ILE 212 CO 0.11 0.46 1.69 0.52 0.00 0.00 0.00 174.94 177.72 1nrn n VAL 213 N 4.33 0.28 0.00 2.92 0.31 0.68 -0.71 118.33 126.15 1nrn n VAL 213 Ca -0.19 -0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1nrn n VAL 213 Cb 0.51 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1nrn n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nrn n SER 214 N 4.89 0.28 -3.87 4.52 2.88 -0.37 -1.88 113.62 120.06 1nrn n SER 214 Ca 0.21 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.70 1nrn n SER 214 Cb 0.25 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.49 1nrn n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nrn s TRP 215 N -1.25 0.03 0.00 0.66 1.48 -0.88 -4.89 118.94 114.09 1nrn s TRP 215 Ca -0.01 -0.42 0.00 0.00 -1.06 0.00 0.00 56.10 54.61 1nrn s TRP 215 Cb 0.00 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 1nrn s TRP 215 CO 0.02 -1.05 0.00 0.41 -4.06 0.00 0.00 176.95 172.27 1nrn n GLY 216 N -0.40 2.58 2.46 3.67 0.00 -1.26 -0.06 105.19 112.19 1nrn n GLY 216 Ca -0.05 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1nrn n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nrn s GLU 217 N -1.47 0.61 1.12 1.61 2.02 -1.26 -5.04 118.70 116.29 1nrn s GLU 217 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1nrn s GLU 217 Cb 0.00 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.95 1nrn s GLU 217 CO 0.00 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.45 1nrn n GLY 219 N 3.83 -1.73 2.66 -1.39 0.00 -1.26 -4.80 105.19 102.50 1nrn n GLY 219 Ca 0.15 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 1nrn n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nrn n ASP 221 N 5.29 -6.09 -4.84 0.00 2.03 -1.26 -4.61 116.55 107.07 1nrn n ASP 221 Ca -0.05 -0.50 -0.36 0.00 0.52 0.00 0.00 54.79 54.40 1nrn n ASP 221 Cb 0.50 -4.71 -0.06 0.00 -0.72 0.00 0.00 41.12 36.12 1nrn n ASP 221 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1nrn s ARG 221 N -6.21 3.98 0.29 -0.67 3.52 -1.26 -4.91 118.95 113.68 1nrn s ARG 221 Ca 0.54 0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 56.32 1nrn s ARG 221 Cb -0.24 -3.06 -0.11 0.00 -1.56 0.00 0.00 34.95 29.98 1nrn s ARG 221 CO 0.67 0.57 1.55 -0.51 -0.81 0.00 0.00 175.30 176.77 1nrn s ASP 222 N -1.48 6.43 0.00 -2.12 1.11 -1.26 -2.14 116.67 117.21 1nrn s ASP 222 Ca 0.33 2.90 0.00 0.00 0.18 0.00 0.00 52.55 55.95 1nrn s ASP 222 Cb -0.16 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.19 1nrn s ASP 222 CO 0.18 -0.86 0.00 0.61 1.18 0.00 0.00 175.17 176.27 1nrn n GLY 223 N 2.05 0.73 3.43 0.21 0.00 -1.26 -5.03 105.19 105.31 1nrn n GLY 223 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1nrn n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrn s LYS 224 N -0.17 1.54 0.11 1.61 -0.14 -0.91 -4.74 119.74 117.03 1nrn s LYS 224 Ca 0.00 -1.52 0.01 0.00 -1.36 0.00 0.00 55.97 53.11 1nrn s LYS 224 Cb 0.00 -1.86 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1nrn s LYS 224 CO 0.00 0.40 -0.05 0.71 -0.76 0.00 0.00 175.35 175.65 1nrn s TYR 225 N -1.68 0.91 0.04 3.18 2.02 -1.26 -4.77 117.35 115.79 1nrn s TYR 225 Ca 0.21 -0.95 -0.18 0.00 -0.37 0.00 0.00 57.07 55.77 1nrn s TYR 225 Cb -0.08 -0.53 -0.06 0.00 -0.40 0.00 0.00 41.96 40.89 1nrn s TYR 225 CO 0.10 -0.19 0.53 0.20 -1.57 0.00 0.00 175.55 174.62 1nrn s GLY 226 N -3.05 2.61 -0.10 0.71 0.00 -0.93 -4.55 107.32 102.00 1nrn s GLY 226 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 1nrn s GLY 226 CO -0.04 0.45 -0.01 -1.36 0.00 0.00 0.00 173.10 172.14 1nrn s PHE 227 N -0.88 3.12 0.04 1.90 0.40 0.92 -1.48 117.98 122.00 1nrn s PHE 227 Ca 0.28 0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.76 1nrn s PHE 227 Cb -0.18 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1nrn s PHE 227 CO 0.17 0.36 -0.17 0.71 0.70 0.00 0.00 175.22 177.00 1nrn s TYR 228 N -0.62 1.45 0.20 0.36 1.51 -0.02 -1.24 117.35 118.99 1nrn s TYR 228 Ca 0.10 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 1nrn s TYR 228 Cb -0.12 -0.86 -0.08 0.00 -0.11 0.00 0.00 41.96 40.78 1nrn s TYR 228 CO 0.02 0.06 1.20 0.99 -1.11 0.00 0.00 175.55 176.71 1nrn s THR 229 N -0.82 3.50 -0.87 -0.71 2.01 0.12 -2.43 115.64 116.44 1nrn s THR 229 Ca 0.04 1.30 -0.24 0.00 0.31 0.00 0.00 61.69 63.10 1nrn s THR 229 Cb -0.08 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.66 1nrn s THR 229 CO 0.01 0.22 1.30 -2.28 -0.69 0.00 0.00 174.62 173.18 1nrn s HIS 230 N -0.22 2.53 0.22 4.92 2.46 -0.25 -2.55 115.29 122.39 1nrn s HIS 230 Ca 0.52 -0.59 -0.08 0.00 0.47 0.00 0.00 55.06 55.38 1nrn s HIS 230 Cb -0.33 -4.58 0.25 0.00 -0.13 0.00 0.00 32.58 27.78 1nrn s HIS 230 CO 0.38 -1.90 1.86 0.28 -2.47 0.00 0.00 174.74 172.89 1nrn h VAL 231 N 6.32 1.11 -0.30 0.89 2.07 -1.75 -2.59 116.25 122.00 1nrn h VAL 231 Ca -0.03 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1nrn h VAL 231 Cb 1.03 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1nrn h VAL 231 CO 1.31 0.18 -0.05 0.15 0.02 0.00 0.00 177.57 179.18 1nrn h PHE 232 N 0.98 0.51 0.00 1.57 3.57 -1.87 -2.01 116.94 119.68 1nrn h PHE 232 Ca 0.32 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1nrn h PHE 232 Cb 0.04 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1nrn h PHE 232 CO -0.03 0.53 0.00 0.00 -2.23 0.00 0.00 178.31 176.58 1nrn h ARG 233 N 0.46 0.00 -0.15 1.11 2.47 -1.84 -2.93 114.38 113.50 1nrn h ARG 233 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1nrn h ARG 233 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1nrn h ARG 233 CO 0.02 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.83 1nrn n LEU 234 N -2.56 2.70 -0.26 3.04 4.77 -0.80 -4.65 117.00 119.23 1nrn n LEU 234 Ca 0.02 -1.25 0.07 0.00 -0.03 0.00 0.00 56.01 54.82 1nrn n LEU 234 Cb 0.30 -0.09 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 1nrn n LEU 234 CO 0.24 0.54 1.23 0.50 -1.33 0.00 0.00 177.39 178.57 1nrn h LYS 235 N 3.35 0.83 -0.65 3.23 3.11 -1.24 -1.53 116.57 123.67 1nrn h LYS 235 Ca 0.00 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 1nrn h LYS 235 Cb 0.76 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1nrn h LYS 235 CO 0.00 0.55 0.24 0.87 -2.81 0.00 0.00 179.45 178.30 1nrn h LYS 236 N 0.86 0.99 -0.58 1.90 1.57 -1.82 -0.34 116.57 119.14 1nrn h LYS 236 Ca 0.38 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1nrn h LYS 236 Cb 0.36 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1nrn h LYS 236 CO -0.15 0.84 0.38 2.35 -0.57 0.00 0.00 179.45 182.30 1nrn h TRP 237 N 0.93 0.74 0.21 -1.35 7.01 -1.64 -2.07 115.95 119.78 1nrn h TRP 237 Ca 0.21 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1nrn h TRP 237 Cb 0.24 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1nrn h TRP 237 CO 0.02 0.47 -0.10 0.82 -2.79 0.00 0.00 178.44 176.85 1nrn h ILE 238 N 0.79 0.85 -0.68 2.65 2.04 -0.71 -2.75 117.51 119.70 1nrn h ILE 238 Ca 0.21 -0.80 0.14 0.00 1.00 0.00 0.00 64.86 65.41 1nrn h ILE 238 Cb -0.08 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 1nrn h ILE 238 CO -0.04 0.17 0.17 1.56 0.00 0.00 0.00 178.15 180.00 1nrn h GLN 239 N -0.71 0.28 0.16 2.37 7.50 -0.95 -2.38 115.11 121.37 1nrn h GLN 239 Ca -0.03 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.12 1nrn h GLN 239 Cb 0.49 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 1nrn h GLN 239 CO 0.05 0.19 -0.48 -0.22 -1.50 0.00 0.00 178.83 176.86 1nrn h LYS 240 N 0.29 -0.71 0.00 1.46 1.63 -1.37 -1.39 116.57 116.47 1nrn h LYS 240 Ca 0.37 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1nrn h LYS 240 Cb 0.59 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1nrn h LYS 240 CO -0.45 -0.47 0.00 1.33 -3.45 0.00 0.00 179.45 176.40 1nrn n VAL 241 N -5.49 0.84 1.77 2.00 0.24 -1.02 -5.12 118.33 111.56 1nrn n VAL 241 Ca -0.08 0.19 0.15 0.00 -2.04 0.00 0.00 64.34 62.56 1nrn n VAL 241 Cb 0.41 -1.03 0.75 0.00 -1.47 0.00 0.00 33.84 32.51 1nrn n VAL 241 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31