#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrr s VAL 17 N 0.00 3.35 -1.15 1.39 1.01 -0.64 -3.86 120.40 120.49 1nrr s VAL 17 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1nrr s VAL 17 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1nrr s VAL 17 CO 0.00 0.47 0.22 -0.62 0.00 0.00 0.00 175.10 175.17 1nrr n GLU 18 N 4.13 -2.31 0.00 2.72 -0.58 -1.26 -1.62 120.64 121.72 1nrr n GLU 18 Ca -0.18 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1nrr n GLU 18 Cb 0.52 -4.95 0.00 0.00 -0.57 0.00 0.00 31.44 26.44 1nrr n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nrr n GLY 19 N -1.15 2.51 3.43 0.62 0.00 -1.26 -4.62 105.19 104.72 1nrr n GLY 19 Ca -0.12 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1nrr n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nrr s SER 20 N -0.72 -0.20 0.17 1.61 1.04 -0.52 -4.89 113.70 110.20 1nrr s SER 20 Ca 0.00 -0.51 -0.32 0.00 0.48 0.00 0.00 55.95 55.61 1nrr s SER 20 Cb 0.00 0.52 -0.11 0.00 0.10 0.00 0.00 66.02 66.53 1nrr s SER 20 CO 0.00 -0.97 1.71 -1.81 0.98 0.00 0.00 173.24 173.15 1nrr s ASP 21 N -2.87 6.45 0.90 7.02 1.11 -1.26 0.36 116.67 128.37 1nrr s ASP 21 Ca 0.09 2.77 -0.11 0.00 0.18 0.00 0.00 52.55 55.48 1nrr s ASP 21 Cb 0.01 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.54 1nrr s ASP 21 CO -0.05 -0.95 1.10 0.00 1.18 0.00 0.00 175.17 176.46 1nrr s ALA 22 N 1.66 1.48 0.36 5.23 0.00 0.92 -4.81 121.76 126.60 1nrr s ALA 22 Ca 0.75 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 1nrr s ALA 22 Cb -0.47 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 1nrr s ALA 22 CO 0.33 -2.51 0.71 -1.21 0.00 0.00 0.00 175.76 173.08 1nrr s GLU 23 N -4.77 3.79 0.29 0.00 2.02 -1.26 -4.93 118.70 113.84 1nrr s GLU 23 Ca 0.64 0.40 -0.30 0.00 0.02 0.00 0.00 54.97 55.74 1nrr s GLU 23 Cb -0.20 -2.46 -0.12 0.00 0.10 0.00 0.00 34.13 31.45 1nrr s GLU 23 CO 0.58 0.07 1.61 -0.89 0.02 0.00 0.00 175.26 176.65 1nrr n ILE 24 N -0.98 0.96 -0.89 -1.63 2.08 -1.26 -1.97 119.36 115.67 1nrr n ILE 24 Ca 0.02 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1nrr n ILE 24 Cb 0.54 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 1nrr n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1nrr n GLY 25 N 2.27 0.27 0.34 7.39 0.00 -1.26 -4.92 105.19 109.28 1nrr n GLY 25 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1nrr n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nrr h MET 26 N 0.69 0.54 -1.98 1.61 4.05 -1.77 -3.35 114.93 114.71 1nrr h MET 26 Ca 0.00 -0.03 -0.55 0.00 -0.28 0.00 0.00 59.70 58.84 1nrr h MET 26 Cb 0.39 -0.12 -0.37 0.00 -0.80 0.00 0.00 31.60 30.69 1nrr h MET 26 CO 0.00 0.36 -1.05 0.45 0.23 0.00 0.00 176.91 176.90 1nrr n SER 27 N -4.47 -0.15 0.00 1.39 2.88 -1.26 -5.00 113.62 107.00 1nrr n SER 27 Ca 0.08 -2.65 0.09 0.00 -1.33 0.00 0.00 58.87 55.06 1nrr n SER 27 Cb 0.23 -0.49 0.39 0.00 -0.75 0.00 0.00 64.21 63.59 1nrr n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nrr n PRO 28 N 1.75 0.03 0.00 -1.46 -0.04 -1.26 -1.69 135.00 132.34 1nrr n PRO 28 Ca 0.22 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1nrr n PRO 28 Cb 0.52 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 1nrr n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1nrr n TRP 29 N -1.48 0.00 -2.16 0.54 2.14 -0.93 -1.61 117.44 113.95 1nrr n TRP 29 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 1nrr n TRP 29 Cb 0.20 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1nrr n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nrr s GLN 30 N -2.60 4.32 0.05 -2.67 2.00 -0.68 -0.32 119.66 119.75 1nrr s GLN 30 Ca 0.20 2.09 0.07 0.00 -2.00 0.00 0.00 55.36 55.72 1nrr s GLN 30 Cb 0.19 -3.24 -0.03 0.00 0.80 0.00 0.00 33.01 30.73 1nrr s GLN 30 CO 0.58 -0.44 -0.19 0.08 -0.50 0.00 0.00 175.29 174.81 1nrr s VAL 31 N 1.06 1.56 -0.20 1.34 1.01 -0.88 -3.98 120.40 120.31 1nrr s VAL 31 Ca 0.64 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1nrr s VAL 31 Cb -0.37 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1nrr s VAL 31 CO 0.31 0.12 0.11 -0.32 0.00 0.00 0.00 175.10 175.32 1nrr s MET 32 N -1.30 4.10 -0.40 2.72 1.75 0.23 -1.88 119.30 124.52 1nrr s MET 32 Ca 0.06 -0.27 -0.17 0.00 -1.25 0.00 0.00 55.69 54.06 1nrr s MET 32 Cb -0.09 -3.38 0.01 0.00 2.84 0.00 0.00 34.83 34.22 1nrr s MET 32 CO 0.02 0.24 0.46 -1.17 -0.65 0.00 0.00 175.02 173.93 1nrr s LEU 33 N 0.50 4.65 -0.11 4.11 0.20 0.11 -2.15 118.68 125.99 1nrr s LEU 33 Ca 0.06 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.48 1nrr s LEU 33 Cb -0.12 -2.45 0.01 0.00 -0.43 0.00 0.00 46.19 43.19 1nrr s LEU 33 CO -0.00 -0.54 -0.20 0.12 -0.29 0.00 0.00 176.35 175.43 1nrr s PHE 34 N 2.24 2.35 0.05 5.38 5.36 0.11 0.79 117.98 134.26 1nrr s PHE 34 Ca 0.14 -1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 54.74 1nrr s PHE 34 Cb -0.16 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 40.86 1nrr s PHE 34 CO 0.14 -0.48 1.05 0.50 -1.46 0.00 0.00 175.22 174.97 1nrr s ARG 35 N 0.67 4.54 0.14 10.12 3.52 0.50 -0.86 118.95 137.59 1nrr s ARG 35 Ca -0.12 1.55 -0.17 0.00 -0.13 0.00 0.00 55.73 56.87 1nrr s ARG 35 Cb -0.16 -3.40 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1nrr s ARG 35 CO 0.03 -0.07 1.76 0.87 -0.81 0.00 0.00 175.30 177.07 1nrr h LYS 36 N 6.52 0.52 -1.55 5.12 1.57 -1.80 -2.53 116.57 124.43 1nrr h LYS 36 Ca -0.42 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1nrr h LYS 36 Cb 1.22 -0.11 -0.21 0.00 0.08 0.00 0.00 32.23 33.21 1nrr h LYS 36 CO 0.76 0.41 -0.01 0.45 -0.57 0.00 0.00 179.45 180.48 1nrr s SER 36 N -5.64 -0.96 0.60 0.86 0.15 -1.26 -3.57 113.70 103.88 1nrr s SER 36 Ca -0.13 1.23 -0.19 0.00 0.70 0.00 0.00 55.95 57.55 1nrr s SER 36 Cb 0.10 2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 66.44 1nrr s SER 36 CO 0.73 -0.18 1.29 -2.16 1.20 0.00 0.00 173.24 174.12 1nrr s PRO 37 N 2.75 2.85 0.01 5.44 0.04 -1.26 -5.05 135.00 139.78 1nrr s PRO 37 Ca -0.03 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1nrr s PRO 37 Cb -0.10 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1nrr s PRO 37 CO -0.18 -1.36 1.63 -0.65 0.04 0.00 0.00 177.00 176.47 1nrr s GLN 38 N -3.20 4.20 -0.18 4.56 -0.21 -1.23 -4.68 119.66 118.92 1nrr s GLN 38 Ca 0.78 2.23 -0.28 0.00 0.02 0.00 0.00 55.36 58.11 1nrr s GLN 38 Cb -0.37 -3.77 0.09 0.00 1.00 0.00 0.00 33.01 29.96 1nrr s GLN 38 CO 0.41 -0.76 0.80 -1.83 -2.12 0.00 0.00 175.29 171.78 1nrr s GLU 39 N 3.24 0.82 0.12 2.91 -1.05 -0.95 -4.95 118.70 118.84 1nrr s GLU 39 Ca 0.73 0.54 -0.31 0.00 -0.15 0.00 0.00 54.97 55.78 1nrr s GLU 39 Cb -0.36 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.64 1nrr s GLU 39 CO 0.31 -0.19 1.46 -1.17 0.95 0.00 0.00 175.26 176.62 1nrr s LEU 40 N -0.43 4.37 -0.19 1.83 2.96 -1.26 -0.37 118.68 125.59 1nrr s LEU 40 Ca -0.04 2.42 -0.14 0.00 -0.22 0.00 0.00 54.13 56.15 1nrr s LEU 40 Cb -0.03 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1nrr s LEU 40 CO 0.03 -0.73 -0.31 -0.11 -1.32 0.00 0.00 176.35 173.91 1nrr n LEU 41 N 4.12 1.79 -3.83 -0.68 7.94 0.24 -4.89 117.00 121.69 1nrr n LEU 41 Ca 0.13 0.30 -0.07 0.00 -1.11 0.00 0.00 56.01 55.26 1nrr n LEU 41 Cb 0.41 -0.70 0.02 0.00 0.53 0.00 0.00 43.42 43.68 1nrr n LEU 41 CO 0.60 0.03 0.63 0.00 -1.11 0.00 0.00 177.39 177.53 1nrr s GLY 43 N -3.18 1.78 0.18 0.00 0.00 0.41 0.10 107.32 106.61 1nrr s GLY 43 Ca 0.17 -1.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.24 1nrr s GLY 43 CO 0.09 -1.00 0.98 0.00 0.00 0.00 0.00 173.10 173.17 1nrr s ALA 44 N -2.99 -1.57 0.01 3.20 0.00 -0.79 -3.72 121.76 115.90 1nrr s ALA 44 Ca 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 1nrr s ALA 44 Cb -0.08 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1nrr s ALA 44 CO 0.42 -1.05 0.01 -1.54 0.00 0.00 0.00 175.76 173.60 1nrr s SER 45 N -3.12 0.16 -0.32 0.00 1.04 0.81 -2.08 113.70 110.18 1nrr s SER 45 Ca 0.16 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 56.04 1nrr s SER 45 Cb -0.02 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1nrr s SER 45 CO 0.04 -0.27 0.54 -0.22 0.98 0.00 0.00 173.24 174.31 1nrr s LEU 46 N -1.24 4.23 -0.01 2.42 2.96 0.56 -0.19 118.68 127.42 1nrr s LEU 46 Ca -0.14 0.19 0.15 0.00 -0.22 0.00 0.00 54.13 54.12 1nrr s LEU 46 Cb -0.08 -2.66 -0.19 0.00 0.50 0.00 0.00 46.19 43.76 1nrr s LEU 46 CO -0.00 -0.44 0.57 2.30 -1.32 0.00 0.00 176.35 177.45 1nrr n ILE 47 N 5.38 0.00 -3.83 6.68 -5.35 -0.79 -1.90 119.36 119.56 1nrr n ILE 47 Ca -0.04 -0.20 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1nrr n ILE 47 Cb 0.49 0.77 0.02 0.00 -1.74 0.00 0.00 39.64 39.18 1nrr n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1nrr s SER 48 N -2.81 -0.03 0.15 7.28 1.04 -1.21 -4.74 113.70 113.37 1nrr s SER 48 Ca 0.03 -0.92 0.18 0.00 0.48 0.00 0.00 55.95 55.72 1nrr s SER 48 Cb 0.11 0.72 0.79 0.00 0.10 0.00 0.00 66.02 67.74 1nrr s SER 48 CO 0.64 -1.42 1.56 -0.90 0.98 0.00 0.00 173.24 174.10 1nrr n ASP 49 N -1.21 0.36 -0.00 7.02 5.75 -1.26 -3.52 116.55 123.69 1nrr n ASP 49 Ca -0.06 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1nrr n ASP 49 Cb 0.60 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 1nrr n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nrr n ARG 50 N -1.91 1.89 -4.84 0.11 5.12 -1.26 -0.50 116.66 115.27 1nrr n ARG 50 Ca 0.02 -0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.61 1nrr n ARG 50 Cb 0.17 -0.89 -0.14 0.00 -1.16 0.00 0.00 32.46 30.44 1nrr n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nrr s TRP 51 N -1.80 2.76 -0.06 -1.55 0.52 -1.23 -0.58 118.94 117.00 1nrr s TRP 51 Ca -0.00 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.65 1nrr s TRP 51 Cb 0.01 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1nrr s TRP 51 CO 0.04 -0.11 -0.24 0.08 0.02 0.00 0.00 176.95 176.74 1nrr s VAL 52 N 0.03 2.02 -0.12 4.03 1.01 -0.15 -1.88 120.40 125.35 1nrr s VAL 52 Ca -0.05 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 1nrr s VAL 52 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1nrr s VAL 52 CO 0.04 0.56 0.15 -0.22 0.00 0.00 0.00 175.10 175.63 1nrr s LEU 53 N -0.05 4.38 0.35 3.92 2.96 0.74 -0.84 118.68 130.13 1nrr s LEU 53 Ca -0.07 0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 54.25 1nrr s LEU 53 Cb -0.14 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1nrr s LEU 53 CO 0.05 0.39 0.56 0.28 -1.32 0.00 0.00 176.35 176.31 1nrr s THR 54 N -0.94 0.00 -0.07 3.68 -1.32 -0.36 -0.14 115.64 116.50 1nrr s THR 54 Ca 0.15 -1.41 -0.25 0.00 -1.21 0.00 0.00 61.69 58.97 1nrr s THR 54 Cb -0.12 -2.66 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 1nrr s THR 54 CO 0.04 0.00 0.79 0.00 -2.21 0.00 0.00 174.62 173.24 1nrr s ALA 55 N -2.93 3.34 0.51 11.08 0.00 -1.26 -1.28 121.76 131.21 1nrr s ALA 55 Ca 0.25 0.20 0.27 0.00 0.00 0.00 0.00 51.96 52.69 1nrr s ALA 55 Cb -0.02 -3.09 1.38 0.00 0.00 0.00 0.00 23.12 21.39 1nrr s ALA 55 CO 0.17 -0.25 1.89 0.00 0.00 0.00 0.00 175.76 177.57 1nrr h ALA 56 N 6.90 2.65 0.00 0.00 0.00 -1.66 -0.30 119.26 126.85 1nrr h ALA 56 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1nrr h ALA 56 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nrr h ALA 56 CO 0.77 -0.90 0.00 -2.39 0.00 0.00 0.00 179.25 176.73 1nrr n HIS 57 N -4.34 0.00 0.22 0.00 1.44 -1.26 -1.42 115.22 109.86 1nrr n HIS 57 Ca 0.18 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.99 1nrr n HIS 57 Cb 0.85 -0.49 0.41 0.00 0.12 0.00 0.00 29.99 30.89 1nrr n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nrr n LEU 59 N -3.31 1.93 -3.97 0.00 4.77 -0.51 -4.83 117.00 111.09 1nrr n LEU 59 Ca 0.01 0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 56.05 1nrr n LEU 59 Cb 0.46 -0.85 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 1nrr n LEU 59 CO 0.33 0.42 -0.44 -0.22 -1.33 0.00 0.00 177.39 176.15 1nrr s LEU 60 N -7.64 2.45 -0.03 2.23 2.96 -0.74 0.10 118.68 118.01 1nrr s LEU 60 Ca -0.35 -1.04 -0.24 0.00 -0.22 0.00 0.00 54.13 52.27 1nrr s LEU 60 Cb 0.12 -1.21 0.05 0.00 0.50 0.00 0.00 46.19 45.65 1nrr s LEU 60 CO 0.50 -0.19 0.53 -0.47 -1.32 0.00 0.00 176.35 175.39 1nrr s TYR 60 N 1.39 -0.46 0.00 5.38 5.04 0.19 -4.19 117.35 124.70 1nrr s TYR 60 Ca -0.04 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1nrr s TYR 60 Cb -0.18 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.42 1nrr s TYR 60 CO -0.07 -0.52 0.00 -2.30 -1.34 0.00 0.00 175.55 171.32 1nrr n PRO 60 N 1.03 0.00 -0.17 4.97 -0.02 -1.26 -0.98 135.00 138.57 1nrr n PRO 60 Ca -0.20 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.35 1nrr n PRO 60 Cb 0.57 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.20 1nrr n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nrr n TRP 60 N 0.00 0.44 -2.03 6.00 8.01 -1.26 -4.98 117.44 123.62 1nrr n TRP 60 Ca 0.00 -0.38 -0.17 0.00 -1.31 0.00 0.00 57.50 55.63 1nrr n TRP 60 Cb 0.00 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.25 1nrr n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1nrr n ASP 60 N 0.75 -5.07 -4.71 -0.99 8.00 -0.99 -4.99 116.55 108.56 1nrr n ASP 60 Ca 0.13 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.41 1nrr n ASP 60 Cb 0.44 -4.13 -0.08 0.00 -0.02 0.00 0.00 41.12 37.33 1nrr n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1nrr s LYS 60 N -4.35 4.21 -0.44 -1.24 2.20 -0.16 -5.00 119.74 114.96 1nrr s LYS 60 Ca 0.00 0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.70 1nrr s LYS 60 Cb 0.00 -3.46 0.18 0.00 -1.51 0.00 0.00 37.83 33.03 1nrr s LYS 60 CO 0.00 0.16 0.59 1.21 -0.36 0.00 0.00 175.35 176.95 1nrr s ASN 60 N 0.66 -0.72 0.20 1.43 2.47 -1.10 -0.64 114.94 117.25 1nrr s ASN 60 Ca 0.15 -1.49 -0.05 0.00 0.42 0.00 0.00 52.86 51.89 1nrr s ASN 60 Cb -0.13 1.45 -0.05 0.00 -1.45 0.00 0.00 41.25 41.07 1nrr s ASN 60 CO 0.04 -0.14 0.45 -0.36 -3.72 0.00 0.00 177.10 173.37 1nrr s PHE 60 N 1.25 3.47 0.32 0.43 0.08 0.28 -4.97 117.98 118.84 1nrr s PHE 60 Ca 0.23 0.58 0.09 0.00 0.12 0.00 0.00 56.93 57.95 1nrr s PHE 60 Cb -0.04 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1nrr s PHE 60 CO -0.07 0.33 0.06 0.95 -0.10 0.00 0.00 175.22 176.40 1nrr s THR 60 N -1.83 3.06 0.27 0.64 -4.23 -1.26 -4.83 115.64 107.46 1nrr s THR 60 Ca 0.42 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1nrr s THR 60 Cb -0.11 -2.89 0.40 0.00 1.34 0.00 0.00 72.50 71.24 1nrr s THR 60 CO 0.26 -0.25 1.44 -0.62 -0.54 0.00 0.00 174.62 174.91 1nrr n GLU 61 N -1.02 -0.08 0.29 3.99 4.71 -1.26 0.36 120.64 127.64 1nrr n GLU 61 Ca -0.04 1.40 0.18 0.00 -0.01 0.00 0.00 57.16 58.69 1nrr n GLU 61 Cb 0.61 -2.17 0.79 0.00 -1.01 0.00 0.00 31.44 29.66 1nrr n GLU 61 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1nrr h ASN 62 N 0.00 0.00 1.91 1.62 2.35 -1.96 -2.87 115.58 116.62 1nrr h ASN 62 Ca 0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1nrr h ASN 62 Cb 0.96 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1nrr h ASN 62 CO -0.90 0.01 -0.01 0.44 -1.65 0.00 0.00 177.43 175.32 1nrr h ASP 63 N 0.00 0.00 -3.14 5.81 3.32 -0.48 -3.48 116.42 118.45 1nrr h ASP 63 Ca -0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1nrr h ASP 63 Cb 0.41 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.82 1nrr h ASP 63 CO 0.00 0.01 -0.62 -0.76 -1.72 0.00 0.00 179.24 176.15 1nrr s LEU 64 N -6.22 2.29 0.14 1.55 1.43 -1.08 -2.41 118.68 114.38 1nrr s LEU 64 Ca 0.06 -1.33 0.05 0.00 -1.03 0.00 0.00 54.13 51.89 1nrr s LEU 64 Cb 0.05 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 1nrr s LEU 64 CO 0.66 -0.54 -0.11 -0.76 0.23 0.00 0.00 176.35 175.83 1nrr s LEU 65 N -3.48 2.50 -0.07 1.79 1.02 -0.04 -4.36 118.68 116.04 1nrr s LEU 65 Ca 0.34 -0.96 0.04 0.00 0.02 0.00 0.00 54.13 53.58 1nrr s LEU 65 Cb 0.08 -0.40 -0.00 0.00 0.02 0.00 0.00 46.19 45.89 1nrr s LEU 65 CO 0.14 -0.28 -0.21 -0.69 0.02 0.00 0.00 176.35 175.34 1nrr s VAL 66 N -3.00 1.76 -0.20 -1.59 1.01 -0.36 0.04 120.40 118.07 1nrr s VAL 66 Ca 0.14 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1nrr s VAL 66 Cb 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1nrr s VAL 66 CO 0.01 0.49 -0.17 -0.13 0.00 0.00 0.00 175.10 175.31 1nrr s ARG 67 N 0.22 2.94 0.02 2.72 0.52 -0.91 0.11 118.95 124.56 1nrr s ARG 67 Ca -0.11 -0.87 0.06 0.00 -0.52 0.00 0.00 55.73 54.28 1nrr s ARG 67 Cb -0.15 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1nrr s ARG 67 CO 0.05 -0.26 -0.16 0.42 0.02 0.00 0.00 175.30 175.38 1nrr s ILE 68 N 1.29 2.94 0.00 1.52 1.01 0.12 -0.60 121.20 127.47 1nrr s ILE 68 Ca 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1nrr s ILE 68 Cb -0.14 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1nrr s ILE 68 CO -0.11 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1nrr n GLY 69 N 1.71 0.40 3.86 6.18 0.00 -1.26 -1.26 105.19 114.83 1nrr n GLY 69 Ca -0.16 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1nrr n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrr s LYS 70 N -1.92 3.49 0.21 1.61 1.02 -1.26 -4.25 119.74 118.64 1nrr s LYS 70 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.76 1nrr s LYS 70 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1nrr s LYS 70 CO 0.00 -0.66 0.00 1.58 -0.92 0.00 0.00 175.35 175.35 1nrr n HIS 71 N -2.81 -1.58 -2.27 3.18 -0.00 -1.26 -4.93 115.22 105.55 1nrr n HIS 71 Ca 0.06 0.28 -0.41 0.00 -0.00 0.00 0.00 57.72 57.66 1nrr n HIS 71 Cb 0.54 0.38 -0.03 0.00 -0.00 0.00 0.00 29.99 30.88 1nrr n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nrr s SER 72 N -5.33 6.98 0.03 0.26 0.15 -1.26 -1.34 113.70 113.18 1nrr s SER 72 Ca 0.00 2.49 -0.23 0.00 0.70 0.00 0.00 55.95 58.91 1nrr s SER 72 Cb 0.00 -2.64 -0.13 0.00 -1.71 0.00 0.00 66.02 61.55 1nrr s SER 72 CO 0.00 -0.38 1.25 -0.09 1.20 0.00 0.00 173.24 175.22 1nrr h ARG 73 N 3.83 -0.80 0.00 5.44 2.43 -1.08 -3.39 114.38 120.81 1nrr h ARG 73 Ca -0.47 0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.55 1nrr h ARG 73 Cb 1.22 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1nrr h ARG 73 CO 0.68 -0.53 -1.26 1.15 -1.51 0.00 0.00 179.97 178.50 1nrr h THR 74 N -0.89 0.94 -3.98 0.20 2.02 -1.91 -3.48 112.91 105.81 1nrr h THR 74 Ca -0.08 -2.57 -0.48 0.00 0.77 0.00 0.00 66.41 64.04 1nrr h THR 74 Cb 0.63 2.40 0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1nrr h THR 74 CO 0.14 0.54 0.42 -0.13 0.37 0.00 0.00 175.52 176.85 1nrr s ARG 75 N -2.78 4.06 -0.51 6.66 0.52 -1.26 -5.00 118.95 120.64 1nrr s ARG 75 Ca -0.01 1.52 -0.28 0.00 -0.52 0.00 0.00 55.73 56.43 1nrr s ARG 75 Cb 0.09 -2.46 0.03 0.00 0.52 0.00 0.00 34.95 33.13 1nrr s ARG 75 CO 0.81 -0.23 1.12 -0.47 0.02 0.00 0.00 175.30 176.55 1nrr s TYR 76 N -1.70 2.77 -0.97 -0.53 5.04 -1.26 -4.86 117.35 115.83 1nrr s TYR 76 Ca 0.60 0.57 -0.19 0.00 -2.44 0.00 0.00 57.07 55.61 1nrr s TYR 76 Cb -0.22 -4.41 0.12 0.00 0.35 0.00 0.00 41.96 37.81 1nrr s TYR 76 CO 0.27 -1.34 1.21 -1.21 -1.34 0.00 0.00 175.55 173.14 1nrr s GLU 77 N 4.51 3.65 0.40 4.97 2.02 -1.26 -4.89 118.70 128.10 1nrr s GLU 77 Ca 0.45 -1.76 0.12 0.00 0.02 0.00 0.00 54.97 53.80 1nrr s GLU 77 Cb -0.08 -5.00 0.94 0.00 0.10 0.00 0.00 34.13 30.10 1nrr s GLU 77 CO 0.29 -1.84 1.92 -0.09 0.02 0.00 0.00 175.26 175.57 1nrr h ARG 77 N 8.78 0.52 0.00 1.61 2.43 -1.92 -0.78 114.38 125.01 1nrr h ARG 77 Ca 0.18 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1nrr h ARG 77 Cb 1.01 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1nrr h ARG 77 CO 1.17 0.34 -0.05 0.09 -1.51 0.00 0.00 179.97 180.01 1nrr n ASN 78 N -4.50 1.72 -0.03 -3.80 5.03 -1.26 -4.83 115.26 107.59 1nrr n ASN 78 Ca 0.14 -2.32 -0.06 0.00 0.87 0.00 0.00 54.58 53.21 1nrr n ASN 78 Cb 0.44 -0.19 -0.02 0.00 -1.02 0.00 0.00 39.78 39.00 1nrr n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1nrr n ILE 79 N -0.76 1.31 -2.38 2.41 2.08 -0.58 -5.05 119.36 116.38 1nrr n ILE 79 Ca 0.06 0.21 -0.33 0.00 0.56 0.00 0.00 62.75 63.25 1nrr n ILE 79 Cb 0.47 -1.96 -0.02 0.00 -0.75 0.00 0.00 39.64 37.38 1nrr n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1nrr s GLU 80 N -2.46 3.71 -0.09 0.38 -1.05 -0.40 -4.80 118.70 113.99 1nrr s GLU 80 Ca -0.16 1.20 0.04 0.00 -0.15 0.00 0.00 54.97 55.90 1nrr s GLU 80 Cb 0.03 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 1nrr s GLU 80 CO 0.23 -0.48 -0.23 0.15 0.95 0.00 0.00 175.26 175.88 1nrr s LYS 81 N -3.68 2.90 -0.14 -4.83 1.02 -0.39 -4.92 119.74 109.70 1nrr s LYS 81 Ca 0.64 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 1nrr s LYS 81 Cb -0.14 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1nrr s LYS 81 CO 0.27 0.18 0.02 0.42 -0.92 0.00 0.00 175.35 175.33 1nrr s ILE 82 N 0.33 4.46 0.04 2.17 -1.09 -1.26 0.10 121.20 125.95 1nrr s ILE 82 Ca -0.18 -0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1nrr s ILE 82 Cb -0.17 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1nrr s ILE 82 CO 0.08 0.53 -0.03 -0.44 -1.23 0.00 0.00 174.94 173.85 1nrr s SER 83 N -0.12 0.38 0.17 3.58 0.01 0.31 -4.98 113.70 113.04 1nrr s SER 83 Ca 0.05 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 1nrr s SER 83 Cb -0.12 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1nrr s SER 83 CO 0.02 -0.43 0.36 -0.04 0.41 0.00 0.00 173.24 173.56 1nrr s MET 84 N -2.57 3.53 -0.03 12.44 -1.94 -1.26 -1.22 119.30 128.25 1nrr s MET 84 Ca -0.05 -0.32 -0.10 0.00 -1.71 0.00 0.00 55.69 53.51 1nrr s MET 84 Cb -0.02 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.90 1nrr s MET 84 CO -0.05 0.45 0.28 -0.51 -0.01 0.00 0.00 175.02 175.18 1nrr s LEU 85 N -3.09 4.41 -0.19 -0.03 1.43 -1.26 -1.64 118.68 118.31 1nrr s LEU 85 Ca 0.38 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 54.04 1nrr s LEU 85 Cb -0.11 -2.46 -0.21 0.00 0.03 0.00 0.00 46.19 43.43 1nrr s LEU 85 CO 0.28 0.32 0.17 1.21 0.23 0.00 0.00 176.35 178.57 1nrr n GLU 86 N 1.63 0.65 -3.64 1.70 2.13 0.62 -4.74 120.64 119.01 1nrr n GLU 86 Ca -0.15 0.38 -0.12 0.00 0.66 0.00 0.00 57.16 57.93 1nrr n GLU 86 Cb 0.53 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 1nrr n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1nrr s LYS 87 N -2.47 0.79 -0.17 5.31 2.36 -0.99 -4.99 119.74 119.58 1nrr s LYS 87 Ca -0.28 1.07 -0.09 0.00 -2.55 0.00 0.00 55.97 54.12 1nrr s LYS 87 Cb 0.07 0.32 -0.05 0.00 -1.05 0.00 0.00 37.83 37.12 1nrr s LYS 87 CO 0.65 -0.12 0.12 0.42 1.55 0.00 0.00 175.35 177.98 1nrr s ILE 88 N 0.80 5.37 -0.11 5.43 1.01 -1.26 0.04 121.20 132.47 1nrr s ILE 88 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1nrr s ILE 88 Cb -0.05 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1nrr s ILE 88 CO -0.06 0.50 -0.10 -0.31 0.00 0.00 0.00 174.94 174.97 1nrr s TYR 89 N -0.10 1.57 -0.11 3.97 1.51 0.11 -5.00 117.35 119.30 1nrr s TYR 89 Ca 0.10 -0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 55.37 1nrr s TYR 89 Cb -0.11 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1nrr s TYR 89 CO 0.00 -0.47 0.02 0.42 -1.11 0.00 0.00 175.55 174.41 1nrr s ILE 90 N 1.40 4.50 0.05 2.71 1.01 -1.26 -0.65 121.20 128.95 1nrr s ILE 90 Ca -0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 60.65 60.13 1nrr s ILE 90 Cb -0.13 -2.93 -0.14 0.00 0.01 0.00 0.00 42.46 39.26 1nrr s ILE 90 CO -0.05 0.57 1.59 1.57 0.00 0.00 0.00 174.94 178.61 1nrr n HIS 91 N 2.53 2.05 0.08 3.97 -0.00 -1.15 -4.85 115.22 117.84 1nrr n HIS 91 Ca -0.18 0.35 0.08 0.00 -0.00 0.00 0.00 57.72 57.96 1nrr n HIS 91 Cb 0.53 -2.50 0.53 0.00 -0.00 0.00 0.00 29.99 28.56 1nrr n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1nrr h PRO 92 N 6.31 0.28 -0.60 1.57 0.13 -1.95 -2.04 132.00 135.69 1nrr h PRO 92 Ca -0.47 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1nrr h PRO 92 Cb 1.29 -0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1nrr h PRO 92 CO 0.88 0.19 0.18 0.54 -0.23 0.00 0.00 178.00 179.56 1nrr n ARG 93 N -4.49 3.28 -1.85 0.86 1.74 -1.26 -4.98 116.66 109.95 1nrr n ARG 93 Ca 0.03 -3.06 -0.42 0.00 -0.77 0.00 0.00 57.85 53.62 1nrr n ARG 93 Cb 0.17 -2.09 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 1nrr n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nrr s TYR 94 N -3.01 2.73 -0.79 -1.55 5.04 -0.77 -4.73 117.35 114.26 1nrr s TYR 94 Ca 0.51 0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 55.46 1nrr s TYR 94 Cb 0.42 -4.02 0.20 0.00 0.35 0.00 0.00 41.96 38.91 1nrr s TYR 94 CO 0.11 -3.95 0.68 1.21 -1.34 0.00 0.00 175.55 172.25 1nrr s ASN 95 N 1.71 6.10 0.26 4.32 3.84 -0.09 -4.83 114.94 126.25 1nrr s ASN 95 Ca 0.74 -3.01 0.15 0.00 0.21 0.00 0.00 52.86 50.95 1nrr s ASN 95 Cb -0.44 -2.02 0.05 0.00 -0.55 0.00 0.00 41.25 38.28 1nrr s ASN 95 CO 0.32 -0.40 1.39 4.11 -2.79 0.00 0.00 177.10 179.73 1nrr h TRP 96 N 7.10 0.00 -0.49 0.43 5.08 -1.93 0.51 115.95 126.65 1nrr h TRP 96 Ca 0.08 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.92 1nrr h TRP 96 Cb 0.95 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.10 1nrr h TRP 96 CO 0.84 0.49 -0.19 0.00 -1.28 0.00 0.00 178.44 178.30 1nrr h ARG 97 N 0.00 0.99 0.00 0.12 3.08 -2.00 -3.44 114.38 113.14 1nrr h ARG 97 Ca -0.02 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1nrr h ARG 97 Cb 1.39 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 1nrr h ARG 97 CO 0.06 1.08 -0.46 -1.91 -1.07 0.00 0.00 179.97 177.68 1nrr n GLU 97 N -4.12 0.05 -0.22 0.04 2.13 -1.23 -4.98 120.64 112.30 1nrr n GLU 97 Ca 0.00 0.02 0.01 0.00 0.66 0.00 0.00 57.16 57.85 1nrr n GLU 97 Cb 0.44 -0.58 0.01 0.00 0.27 0.00 0.00 31.44 31.59 1nrr n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1nrr n ASN 98 N -3.41 0.38 -1.43 4.31 6.94 -1.17 -4.98 115.26 115.90 1nrr n ASN 98 Ca -0.02 -1.70 -0.15 0.00 -0.02 0.00 0.00 54.58 52.69 1nrr n ASN 98 Cb 0.22 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.48 1nrr n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nrr n LEU 99 N -0.17 -1.40 -4.74 -4.53 4.32 0.18 -4.95 117.00 105.71 1nrr n LEU 99 Ca 0.01 0.15 -0.42 0.00 -0.02 0.00 0.00 56.01 55.74 1nrr n LEU 99 Cb 0.58 -2.19 -0.01 0.00 -1.62 0.00 0.00 43.42 40.17 1nrr n LEU 99 CO 0.00 -0.42 1.18 -0.67 -1.22 0.00 0.00 177.39 176.26 1nrr n ASP 100 N -0.61 3.67 -3.03 -1.43 2.03 -1.22 -2.44 116.55 113.53 1nrr n ASP 100 Ca -0.16 1.16 -0.16 0.00 0.52 0.00 0.00 54.79 56.15 1nrr n ASP 100 Cb 0.57 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.46 1nrr n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1nrr n ARG 101 N 1.79 -5.81 -2.63 -0.67 1.74 -1.26 -0.92 116.66 108.90 1nrr n ARG 101 Ca 0.08 0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 1nrr n ARG 101 Cb 0.36 -5.30 -0.00 0.00 -1.02 0.00 0.00 32.46 26.50 1nrr n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nrr s ASP 102 N -3.89 6.82 0.02 0.55 2.15 -1.02 -4.42 116.67 116.88 1nrr s ASP 102 Ca 0.14 -2.38 -0.16 0.00 0.43 0.00 0.00 52.55 50.58 1nrr s ASP 102 Cb -0.06 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1nrr s ASP 102 CO 0.60 -1.16 0.34 -0.51 -0.17 0.00 0.00 175.17 174.28 1nrr s ILE 103 N 3.95 0.06 -0.07 4.11 2.07 -1.26 -3.81 121.20 126.25 1nrr s ILE 103 Ca 0.51 -0.53 -0.31 0.00 -1.41 0.00 0.00 60.65 58.91 1nrr s ILE 103 Cb 0.02 -0.81 0.08 0.00 0.13 0.00 0.00 42.46 41.89 1nrr s ILE 103 CO 0.04 -0.29 0.74 0.00 -1.91 0.00 0.00 174.94 173.52 1nrr s ALA 104 N -1.96 -1.80 -0.02 1.50 0.00 -0.40 -2.92 121.76 116.15 1nrr s ALA 104 Ca -0.09 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1nrr s ALA 104 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1nrr s ALA 104 CO 0.01 -0.36 -0.12 -0.51 0.00 0.00 0.00 175.76 174.78 1nrr s LEU 105 N -1.15 2.87 -0.13 0.00 1.43 0.17 -1.22 118.68 120.65 1nrr s LEU 105 Ca -0.09 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1nrr s LEU 105 Cb -0.00 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1nrr s LEU 105 CO 0.08 0.32 -0.18 -0.04 0.23 0.00 0.00 176.35 176.76 1nrr s MET 106 N -1.04 2.55 -0.26 1.70 -1.94 -0.02 0.06 119.30 120.35 1nrr s MET 106 Ca 0.14 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.30 1nrr s MET 106 Cb -0.11 -2.14 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 1nrr s MET 106 CO 0.03 -0.08 0.30 0.21 -0.01 0.00 0.00 175.02 175.48 1nrr s LYS 107 N 1.01 4.03 0.35 2.03 2.20 0.11 -0.98 119.74 128.49 1nrr s LYS 107 Ca -0.05 -0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.24 1nrr s LYS 107 Cb -0.15 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 1nrr s LYS 107 CO -0.04 -0.17 1.01 -0.51 -0.36 0.00 0.00 175.35 175.28 1nrr s LEU 108 N 1.74 4.29 0.12 5.43 1.43 0.25 -0.28 118.68 131.67 1nrr s LEU 108 Ca 0.13 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 1nrr s LEU 108 Cb -0.15 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 1nrr s LEU 108 CO 0.09 -0.25 1.59 0.11 0.23 0.00 0.00 176.35 178.13 1nrr h LYS 109 N 3.00 -0.58 -5.75 1.70 1.79 -1.61 -3.41 116.57 111.71 1nrr h LYS 109 Ca -0.47 0.04 -0.49 0.00 -2.18 0.00 0.00 60.65 57.55 1nrr h LYS 109 Cb 1.20 0.13 -0.22 0.00 -1.58 0.00 0.00 32.23 31.76 1nrr h LYS 109 CO 0.64 -0.38 -0.81 0.15 -1.08 0.00 0.00 179.45 177.97 1nrr s LYS 110 N -5.92 1.00 0.67 3.15 1.02 -1.26 -4.97 119.74 113.43 1nrr s LYS 110 Ca -0.16 -1.03 -0.15 0.00 0.02 0.00 0.00 55.97 54.65 1nrr s LYS 110 Cb 0.08 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1nrr s LYS 110 CO 0.64 0.26 1.14 -1.25 -0.92 0.00 0.00 175.35 175.22 1nrr s PRO 111 N -1.72 2.63 0.18 -1.68 0.05 -1.26 -4.91 135.00 128.29 1nrr s PRO 111 Ca 0.03 1.52 0.00 0.00 0.05 0.00 0.00 61.00 62.60 1nrr s PRO 111 Cb -0.10 -1.92 -0.04 0.00 0.05 0.00 0.00 34.50 32.49 1nrr s PRO 111 CO 0.03 -1.41 0.36 0.54 0.05 0.00 0.00 177.00 176.57 1nrr s VAL 112 N -2.19 5.24 -0.20 -0.36 0.11 0.34 -5.00 120.40 118.33 1nrr s VAL 112 Ca 0.70 -0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 59.17 1nrr s VAL 112 Cb -0.23 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 1nrr s VAL 112 CO 0.42 -0.14 0.28 0.00 -3.33 0.00 0.00 175.10 172.32 1nrr s ALA 113 N -1.83 3.59 0.41 1.54 0.00 -1.26 -4.78 121.76 119.43 1nrr s ALA 113 Ca 0.37 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 1nrr s ALA 113 Cb -0.11 -2.45 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 1nrr s ALA 113 CO 0.29 -0.15 1.14 -0.06 0.00 0.00 0.00 175.76 176.99 1nrr s PHE 114 N 0.97 3.07 0.00 0.00 0.08 -1.26 -4.89 117.98 115.96 1nrr s PHE 114 Ca 0.14 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.76 1nrr s PHE 114 Cb -0.14 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 1nrr s PHE 114 CO 0.05 -1.21 0.00 -1.13 -0.10 0.00 0.00 175.22 172.84 1nrr n SER 115 N -0.06 0.00 0.25 1.36 3.41 -0.08 -4.93 113.62 113.57 1nrr n SER 115 Ca 0.05 -0.88 0.08 0.00 -0.26 0.00 0.00 58.87 57.86 1nrr n SER 115 Cb 0.47 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.05 1nrr n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nrr h ASP 116 N 0.00 0.02 -0.00 4.04 5.19 -1.99 -2.97 116.42 120.70 1nrr h ASP 116 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nrr h ASP 116 Cb 0.00 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nrr h ASP 116 CO 0.00 0.02 -0.60 -1.22 -3.12 0.00 0.00 179.24 174.32 1nrr n TYR 117 N -4.52 0.00 -3.89 4.55 4.01 -1.26 -4.78 117.16 111.27 1nrr n TYR 117 Ca -0.03 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.43 1nrr n TYR 117 Cb 0.10 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.97 1nrr n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nrr s ILE 118 N -2.27 1.13 -0.28 -0.72 1.01 -1.12 -4.11 121.20 114.85 1nrr s ILE 118 Ca 0.08 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 1nrr s ILE 118 Cb 0.12 -1.35 0.09 0.00 0.01 0.00 0.00 42.46 41.33 1nrr s ILE 118 CO 0.56 0.06 0.82 -2.28 0.00 0.00 0.00 174.94 174.10 1nrr s HIS 119 N 1.61 -0.74 0.56 3.97 2.46 -0.63 -0.90 115.29 121.62 1nrr s HIS 119 Ca -0.01 1.69 -0.15 0.00 0.47 0.00 0.00 55.06 57.06 1nrr s HIS 119 Cb -0.16 0.37 -0.06 0.00 -0.13 0.00 0.00 32.58 32.61 1nrr s HIS 119 CO -0.07 -0.36 1.02 -1.25 -2.47 0.00 0.00 174.74 171.60 1nrr s PRO 120 N 0.68 3.66 0.35 2.88 0.04 -1.26 -2.18 135.00 139.17 1nrr s PRO 120 Ca -0.02 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1nrr s PRO 120 Cb -0.05 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1nrr s PRO 120 CO -0.07 -0.52 0.60 0.54 0.04 0.00 0.00 177.00 177.59 1nrr s VAL 121 N -2.70 5.04 0.31 -0.36 0.11 -0.80 -4.92 120.40 117.09 1nrr s VAL 121 Ca 0.59 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 1nrr s VAL 121 Cb -0.12 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 30.82 1nrr s VAL 121 CO 0.38 -0.53 0.77 0.00 -3.33 0.00 0.00 175.10 172.38 1nrr s LEU 123 N -2.76 4.41 0.68 0.00 1.43 -1.26 -0.15 118.68 121.04 1nrr s LEU 123 Ca 0.53 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.58 1nrr s LEU 123 Cb -0.12 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.24 1nrr s LEU 123 CO 0.18 0.11 1.17 -2.16 0.23 0.00 0.00 176.35 175.87 1nrr s PRO 124 N -0.17 2.51 0.13 1.29 0.04 -1.26 -4.90 135.00 132.64 1nrr s PRO 124 Ca 0.30 1.63 0.05 0.00 0.04 0.00 0.00 61.00 63.02 1nrr s PRO 124 Cb -0.18 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1nrr s PRO 124 CO 0.16 -1.52 0.05 0.16 0.04 0.00 0.00 177.00 175.89 1nrr s ASP 125 N -2.18 5.20 0.33 6.66 -4.77 -1.26 -4.92 116.67 115.74 1nrr s ASP 125 Ca 0.72 -0.18 0.08 0.00 -3.30 0.00 0.00 52.55 49.86 1nrr s ASP 125 Cb -0.26 -1.28 0.94 0.00 -1.09 0.00 0.00 42.92 41.23 1nrr s ASP 125 CO 0.42 0.12 1.57 -0.09 0.70 0.00 0.00 175.17 177.89 1nrr h ARG 126 N 2.94 0.00 -0.15 2.11 2.43 -1.97 0.16 114.38 119.90 1nrr h ARG 126 Ca -0.47 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 1nrr h ARG 126 Cb 1.18 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1nrr h ARG 126 CO 0.61 0.00 -0.58 0.93 -1.51 0.00 0.00 179.97 179.43 1nrr h GLU 127 N 0.01 0.65 -1.60 0.20 3.07 -2.04 -2.43 114.58 112.43 1nrr h GLU 127 Ca 0.68 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1nrr h GLU 127 Cb 1.54 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 1nrr h GLU 127 CO -0.88 1.13 0.00 2.41 -1.40 0.00 0.00 179.01 180.26 1nrr n THR 128 N -4.12 0.25 0.00 1.13 -1.04 0.55 -1.55 114.28 109.49 1nrr n THR 128 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1nrr n THR 128 Cb 0.64 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1nrr n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nrr n ALA 129 N 0.82 0.00 0.10 2.41 0.00 -0.92 -1.13 120.51 121.80 1nrr n ALA 129 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1nrr n ALA 129 Cb 0.13 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.60 1nrr n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nrr h SER 129 N 0.00 0.00 0.10 0.00 0.02 -1.56 -3.35 113.55 108.76 1nrr h SER 129 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1nrr h SER 129 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1nrr h SER 129 CO 0.00 0.79 -1.96 0.18 -1.14 0.00 0.00 176.83 174.70 1nrr n LEU 129 N -3.49 0.09 -4.46 5.07 4.77 -0.28 -4.68 117.00 114.02 1nrr n LEU 129 Ca -0.00 0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.58 1nrr n LEU 129 Cb 0.79 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1nrr n LEU 129 CO 0.44 0.06 1.59 0.18 -1.33 0.00 0.00 177.39 178.33 1nrr n LEU 130 N -2.38 5.23 -4.10 2.23 4.77 -1.26 -4.82 117.00 116.66 1nrr n LEU 130 Ca -0.08 -4.33 -0.18 0.00 -0.03 0.00 0.00 56.01 51.39 1nrr n LEU 130 Cb 0.66 -1.65 -0.13 0.00 -2.33 0.00 0.00 43.42 39.97 1nrr n LEU 130 CO 0.45 0.61 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.58 1nrr s GLN 131 N 2.21 0.79 0.38 3.23 -0.21 -1.26 -4.92 119.66 119.88 1nrr s GLN 131 Ca 0.46 -0.68 -0.28 0.00 0.02 0.00 0.00 55.36 54.88 1nrr s GLN 131 Cb -0.00 -0.74 -0.10 0.00 1.00 0.00 0.00 33.01 33.16 1nrr s GLN 131 CO 0.02 0.18 1.44 0.00 -2.12 0.00 0.00 175.29 174.81 1nrr s ALA 132 N -0.86 3.50 0.00 6.09 0.00 -1.26 -1.54 121.76 127.69 1nrr s ALA 132 Ca -0.01 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1nrr s ALA 132 Cb -0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1nrr s ALA 132 CO 0.01 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1nrr n GLY 133 N 0.54 2.86 3.76 0.00 0.00 0.17 -4.93 105.19 107.59 1nrr n GLY 133 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1nrr n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrr s TYR 134 N -2.10 3.63 -0.00 1.61 1.51 -0.59 -4.63 117.35 116.78 1nrr s TYR 134 Ca 0.00 1.73 -0.03 0.00 -1.01 0.00 0.00 57.07 57.76 1nrr s TYR 134 Cb 0.00 -3.24 -0.04 0.00 -0.11 0.00 0.00 41.96 38.57 1nrr s TYR 134 CO 0.00 -0.41 0.20 0.15 -1.11 0.00 0.00 175.55 174.38 1nrr s LYS 135 N -1.42 3.47 0.50 -0.62 1.02 -1.26 0.58 119.74 122.00 1nrr s LYS 135 Ca 0.44 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.17 1nrr s LYS 135 Cb -0.31 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1nrr s LYS 135 CO 0.40 0.67 0.04 0.20 -0.92 0.00 0.00 175.35 175.73 1nrr s GLY 136 N -1.92 2.99 -0.04 -3.33 0.00 0.56 -4.87 107.32 100.71 1nrr s GLY 136 Ca 0.28 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1nrr s GLY 136 CO 0.18 -2.12 -0.08 -1.60 0.00 0.00 0.00 173.10 169.49 1nrr s ARG 137 N -3.84 1.10 -0.04 2.90 3.52 -0.57 -0.83 118.95 121.20 1nrr s ARG 137 Ca 0.07 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.47 1nrr s ARG 137 Cb 0.01 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.37 1nrr s ARG 137 CO 0.05 0.01 -0.15 0.08 -0.81 0.00 0.00 175.30 174.47 1nrr s VAL 138 N 0.62 2.97 0.09 7.11 1.01 0.11 -0.81 120.40 131.50 1nrr s VAL 138 Ca -0.10 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1nrr s VAL 138 Cb -0.13 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1nrr s VAL 138 CO 0.01 0.56 -0.10 0.42 0.00 0.00 0.00 175.10 176.00 1nrr s THR 139 N -0.75 0.89 0.00 3.92 -4.23 -1.25 -1.33 115.64 112.89 1nrr s THR 139 Ca 0.12 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1nrr s THR 139 Cb -0.11 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1nrr s THR 139 CO 0.01 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1nrr n GLY 140 N 0.63 1.09 1.11 3.99 0.00 -0.76 -4.55 105.19 106.69 1nrr n GLY 140 Ca -0.17 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 44.97 1nrr n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nrr n TRP 141 N -0.48 0.97 -0.91 1.61 8.01 -1.26 -1.86 117.44 123.51 1nrr n TRP 141 Ca 0.00 -0.60 -0.17 0.00 -1.31 0.00 0.00 57.50 55.42 1nrr n TRP 141 Cb 0.00 -0.15 0.14 0.00 -2.01 0.00 0.00 31.31 29.29 1nrr n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nrr n GLY 142 N 0.71 -2.47 3.57 6.99 0.00 -1.26 -4.37 105.19 108.36 1nrr n GLY 142 Ca 0.20 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1nrr n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nrr n ASN 143 N -4.00 0.90 0.11 1.61 3.02 -0.63 -3.36 115.26 112.92 1nrr n ASN 143 Ca 0.09 1.11 0.12 0.00 -0.03 0.00 0.00 54.58 55.86 1nrr n ASN 143 Cb 0.34 -1.27 0.06 0.00 -0.61 0.00 0.00 39.78 38.29 1nrr n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1nrr h LEU 144 N 1.68 0.00 -7.59 3.41 3.38 0.29 -0.58 115.31 115.89 1nrr h LEU 144 Ca -0.40 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1nrr h LEU 144 Cb 1.35 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.95 1nrr h LEU 144 CO 0.58 0.02 -0.25 -0.54 0.09 0.00 0.00 178.44 178.34 1nrr s LYS 145 N -3.31 0.85 0.00 1.13 1.02 -1.26 -4.14 119.74 114.04 1nrr s LYS 145 Ca 0.02 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1nrr s LYS 145 Cb 0.10 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.77 1nrr s LYS 145 CO 0.76 -0.28 0.06 -1.91 -0.92 0.00 0.00 175.35 173.05 1nrr n GLU 146 N 0.32 0.06 0.00 1.68 2.13 -1.26 -4.97 120.64 118.59 1nrr n GLU 146 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1nrr n GLU 146 Cb 0.61 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1nrr n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nrr n GLY 150 N 0.89 0.10 3.76 8.31 0.00 -1.26 -4.95 105.19 112.04 1nrr n GLY 150 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1nrr n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nrr s GLN 151 N -1.19 3.83 0.75 1.61 -1.52 -1.26 0.24 119.66 122.12 1nrr s GLN 151 Ca 0.00 -0.22 -0.10 0.00 -1.95 0.00 0.00 55.36 53.09 1nrr s GLN 151 Cb 0.00 -3.27 0.05 0.00 -0.22 0.00 0.00 33.01 29.57 1nrr s GLN 151 CO 0.00 0.48 1.10 -1.25 -0.25 0.00 0.00 175.29 175.37 1nrr s PRO 152 N -0.18 2.30 -0.04 2.91 0.04 -1.26 -4.93 135.00 133.84 1nrr s PRO 152 Ca 0.10 0.11 0.15 0.00 0.04 0.00 0.00 61.00 61.40 1nrr s PRO 152 Cb -0.12 -2.04 -0.21 0.00 0.04 0.00 0.00 34.50 32.18 1nrr s PRO 152 CO 0.01 -1.32 0.59 -1.13 0.04 0.00 0.00 177.00 175.18 1nrr n SER 153 N -3.10 0.66 -4.35 6.66 3.41 -1.26 -4.74 113.62 110.90 1nrr n SER 153 Ca 0.07 0.30 -0.20 0.00 -0.26 0.00 0.00 58.87 58.79 1nrr n SER 153 Cb 0.60 0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 1nrr n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nrr s VAL 154 N -2.72 1.81 0.22 -3.33 1.01 -1.26 -0.49 120.40 115.64 1nrr s VAL 154 Ca -0.05 -2.10 -0.31 0.00 0.00 0.00 0.00 61.98 59.52 1nrr s VAL 154 Cb 0.08 -1.97 -0.15 0.00 0.00 0.00 0.00 36.38 34.34 1nrr s VAL 154 CO 0.83 -0.47 1.10 -0.11 0.00 0.00 0.00 175.10 176.44 1nrr n LEU 155 N -0.12 1.65 -4.74 3.92 7.94 -0.45 -4.81 117.00 120.39 1nrr n LEU 155 Ca -0.10 1.16 -0.28 0.00 -1.11 0.00 0.00 56.01 55.67 1nrr n LEU 155 Cb 0.59 -1.25 -0.07 0.00 0.53 0.00 0.00 43.42 43.22 1nrr n LEU 155 CO 0.33 -1.34 -0.28 -1.10 -1.11 0.00 0.00 177.39 173.89 1nrr s GLN 156 N -0.86 2.73 0.05 1.96 -1.52 -0.78 -0.06 119.66 121.19 1nrr s GLN 156 Ca 0.67 -0.86 0.03 0.00 -1.95 0.00 0.00 55.36 53.26 1nrr s GLN 156 Cb -0.78 -2.59 -0.03 0.00 -0.22 0.00 0.00 33.01 29.39 1nrr s GLN 156 CO 0.55 0.51 -0.10 0.54 -0.25 0.00 0.00 175.29 176.54 1nrr s VAL 157 N -1.55 0.75 -0.12 1.09 0.11 0.16 -1.83 120.40 119.00 1nrr s VAL 157 Ca 0.29 -1.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.10 1nrr s VAL 157 Cb -0.11 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1nrr s VAL 157 CO 0.21 -0.30 0.32 0.54 -3.33 0.00 0.00 175.10 172.54 1nrr s VAL 158 N -1.29 0.00 -0.30 2.04 0.11 -0.44 -1.44 120.40 119.08 1nrr s VAL 158 Ca -0.07 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.84 1nrr s VAL 158 Cb -0.10 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1nrr s VAL 158 CO 0.01 -0.00 0.29 0.20 -3.33 0.00 0.00 175.10 172.26 1nrr s ASN 159 N 0.15 6.13 0.03 3.54 0.01 -1.26 -0.71 114.94 122.82 1nrr s ASN 159 Ca -0.00 -0.04 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 1nrr s ASN 159 Cb -0.02 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 1nrr s ASN 159 CO 0.01 -0.18 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.53 1nrr s LEU 160 N 1.90 2.14 0.31 0.60 1.43 -0.01 -4.94 118.68 120.12 1nrr s LEU 160 Ca 0.10 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1nrr s LEU 160 Cb -0.16 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.48 1nrr s LEU 160 CO 0.11 0.02 0.68 -2.16 0.23 0.00 0.00 176.35 175.22 1nrr s PRO 161 N -0.97 3.86 0.41 1.29 0.04 -1.26 -0.32 135.00 138.06 1nrr s PRO 161 Ca 0.00 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 61.27 1nrr s PRO 161 Cb -0.07 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 1nrr s PRO 161 CO 0.01 0.16 1.05 0.42 0.04 0.00 0.00 177.00 178.67 1nrr s ILE 162 N -2.04 3.73 0.00 0.56 1.01 0.19 -1.79 121.20 122.87 1nrr s ILE 162 Ca 0.51 1.29 0.04 0.00 0.00 0.00 0.00 60.65 62.49 1nrr s ILE 162 Cb -0.11 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1nrr s ILE 162 CO 0.23 -0.03 -0.11 -0.69 0.00 0.00 0.00 174.94 174.34 1nrr s VAL 163 N -1.70 3.34 0.34 2.92 1.01 -1.02 0.44 120.40 125.72 1nrr s VAL 163 Ca 0.59 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1nrr s VAL 163 Cb -0.21 -2.42 -0.12 0.00 0.00 0.00 0.00 36.38 33.63 1nrr s VAL 163 CO 0.26 0.41 1.36 -0.62 0.00 0.00 0.00 175.10 176.51 1nrr n GLU 164 N 1.67 2.29 -0.30 2.72 4.71 -1.26 -4.57 120.64 125.90 1nrr n GLU 164 Ca -0.16 0.80 0.09 0.00 -0.01 0.00 0.00 57.16 57.88 1nrr n GLU 164 Cb 0.52 -2.43 0.21 0.00 -1.01 0.00 0.00 31.44 28.73 1nrr n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nrr h ARG 165 N 2.81 0.07 -0.62 3.49 3.08 -1.99 -1.64 114.38 119.58 1nrr h ARG 165 Ca -0.47 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.48 1nrr h ARG 165 Cb 1.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1nrr h ARG 165 CO 0.64 0.05 0.04 -1.35 -1.07 0.00 0.00 179.97 178.28 1nrr h PRO 166 N 0.07 1.06 -0.67 0.04 0.11 -1.99 0.02 132.00 130.65 1nrr h PRO 166 Ca 0.49 -0.32 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1nrr h PRO 166 Cb 0.91 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1nrr h PRO 166 CO -0.78 1.02 0.32 0.28 -0.21 0.00 0.00 178.00 178.63 1nrr h VAL 167 N 0.97 1.22 0.48 3.15 2.07 -1.70 -0.85 116.25 121.59 1nrr h VAL 167 Ca 0.18 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nrr h VAL 167 Cb 0.51 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1nrr h VAL 167 CO 0.02 0.26 -0.23 0.00 0.02 0.00 0.00 177.57 177.64 1nrr h LYS 169 N -0.68 0.20 0.00 0.00 6.56 -0.82 -2.73 116.57 119.09 1nrr h LYS 169 Ca -0.07 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1nrr h LYS 169 Cb 0.51 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1nrr h LYS 169 CO 0.11 0.13 0.00 -0.25 -2.06 0.00 0.00 179.45 177.38 1nrr n ASP 170 N -5.16 0.00 0.04 0.86 8.00 -0.34 -2.83 116.55 117.12 1nrr n ASP 170 Ca 0.07 0.39 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1nrr n ASP 170 Cb 0.29 -0.44 0.14 0.00 -0.02 0.00 0.00 41.12 41.08 1nrr n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nrr n SER 171 N -1.44 0.64 -4.01 -2.24 3.41 -1.03 -4.99 113.62 103.96 1nrr n SER 171 Ca 0.04 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1nrr n SER 171 Cb 0.14 0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1nrr n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nrr s THR 172 N -3.15 0.00 -1.76 6.66 -1.32 -1.13 -4.87 115.64 110.07 1nrr s THR 172 Ca 0.06 -1.93 0.22 0.00 -1.21 0.00 0.00 61.69 58.82 1nrr s THR 172 Cb 0.14 -2.48 -0.06 0.00 -1.51 0.00 0.00 72.50 68.59 1nrr s THR 172 CO 0.74 0.00 1.03 0.54 -2.21 0.00 0.00 174.62 174.72 1nrr n ARG 173 N -0.35 1.00 -2.78 7.08 1.74 -1.26 -4.92 116.66 117.17 1nrr n ARG 173 Ca 0.03 -0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 55.94 1nrr n ARG 173 Cb 0.65 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1nrr n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nrr s ILE 174 N -2.56 4.41 -0.40 0.55 1.01 -1.26 -4.99 121.20 117.96 1nrr s ILE 174 Ca 0.16 2.00 -0.28 0.00 0.00 0.00 0.00 60.65 62.53 1nrr s ILE 174 Cb 0.17 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1nrr s ILE 174 CO 0.63 0.38 1.75 -0.60 0.00 0.00 0.00 174.94 177.10 1nrr s ARG 175 N -0.39 3.22 0.42 2.79 3.52 -1.26 -5.01 118.95 122.24 1nrr s ARG 175 Ca 0.44 1.17 -0.22 0.00 -0.13 0.00 0.00 55.73 56.98 1nrr s ARG 175 Cb -0.24 -4.21 -0.10 0.00 -1.56 0.00 0.00 34.95 28.85 1nrr s ARG 175 CO 0.29 -2.00 1.00 0.42 -0.81 0.00 0.00 175.30 174.20 1nrr s ILE 176 N 7.14 4.02 0.32 4.11 -1.09 -1.26 -4.88 121.20 129.57 1nrr s ILE 176 Ca 0.74 1.40 0.03 0.00 -2.23 0.00 0.00 60.65 60.59 1nrr s ILE 176 Cb -0.19 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1nrr s ILE 176 CO 0.31 -0.14 0.12 0.42 -1.23 0.00 0.00 174.94 174.41 1nrr s THR 177 N -1.90 0.64 -0.41 2.92 -4.23 -1.26 -5.02 115.64 106.37 1nrr s THR 177 Ca 0.60 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.34 1nrr s THR 177 Cb -0.16 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.35 1nrr s THR 177 CO 0.20 0.00 1.70 0.47 -0.54 0.00 0.00 174.62 176.45 1nrr n ASP 178 N -0.86 0.65 -0.57 3.99 8.00 -1.26 -2.31 116.55 124.19 1nrr n ASP 178 Ca -0.02 0.69 0.02 0.00 0.71 0.00 0.00 54.79 56.19 1nrr n ASP 178 Cb 0.66 -0.82 0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1nrr n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nrr n ASN 179 N -2.25 1.48 -4.04 -2.24 3.02 -1.26 -4.85 115.26 105.12 1nrr n ASN 179 Ca 0.01 -2.11 -0.08 0.00 -0.03 0.00 0.00 54.58 52.38 1nrr n ASN 179 Cb 0.18 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 1nrr n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nrr s MET 180 N -1.57 0.50 0.04 3.52 -1.94 -0.98 -0.87 119.30 118.02 1nrr s MET 180 Ca 0.11 -0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 53.09 1nrr s MET 180 Cb 0.07 0.18 -0.02 0.00 2.01 0.00 0.00 34.83 37.07 1nrr s MET 180 CO 0.05 -0.09 0.04 -0.59 -0.01 0.00 0.00 175.02 174.42 1nrr s PHE 181 N -2.97 0.31 0.33 -0.03 -0.12 -0.85 -4.80 117.98 109.86 1nrr s PHE 181 Ca -0.02 -0.70 0.10 0.00 -0.05 0.00 0.00 56.93 56.26 1nrr s PHE 181 Cb 0.01 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.12 1nrr s PHE 181 CO -0.06 -0.36 -0.06 0.00 -0.05 0.00 0.00 175.22 174.69 1nrr s ALA 183 N -2.56 -1.05 0.00 0.00 0.00 -0.47 -2.45 121.76 115.23 1nrr s ALA 183 Ca 0.33 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1nrr s ALA 183 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1nrr s ALA 183 CO 0.17 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1nrr n GLY 184 N 0.35 2.41 3.83 0.00 0.00 -0.74 -1.83 105.19 109.21 1nrr n GLY 184 Ca -0.18 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1nrr n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrr s TYR 184 N -1.65 3.46 0.25 1.61 2.02 -1.26 -4.48 117.35 117.30 1nrr s TYR 184 Ca 0.00 1.35 -0.20 0.00 -0.37 0.00 0.00 57.07 57.85 1nrr s TYR 184 Cb 0.00 -2.62 -0.08 0.00 -0.40 0.00 0.00 41.96 38.86 1nrr s TYR 184 CO 0.00 0.15 0.75 0.15 -1.57 0.00 0.00 175.55 175.02 1nrr s LYS 185 N -2.66 4.24 0.48 -0.62 1.02 -1.26 -4.76 119.74 116.19 1nrr s LYS 185 Ca 0.52 0.88 0.15 0.00 0.02 0.00 0.00 55.97 57.54 1nrr s LYS 185 Cb -0.12 -2.80 1.15 0.00 -0.52 0.00 0.00 37.83 35.53 1nrr s LYS 185 CO 0.18 0.35 2.06 -1.35 -0.92 0.00 0.00 175.35 175.67 1nrr h PRO 186 N 3.22 0.21 -0.52 -1.68 0.11 -1.95 0.35 132.00 131.73 1nrr h PRO 186 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1nrr h PRO 186 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1nrr h PRO 186 CO 0.65 0.14 0.09 0.38 -0.21 0.00 0.00 178.00 179.05 1nrr h ASP 186 N 0.22 0.78 0.73 -2.05 2.03 -1.98 -2.86 116.42 113.29 1nrr h ASP 186 Ca 0.14 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1nrr h ASP 186 Cb 0.29 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1nrr h ASP 186 CO -0.03 0.79 0.00 -0.33 -1.03 0.00 0.00 179.24 178.64 1nrr h GLU 186 N 0.79 0.00 -6.69 4.15 5.08 -0.67 -3.46 114.58 113.78 1nrr h GLU 186 Ca 0.17 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.03 1nrr h GLU 186 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1nrr h GLU 186 CO 0.01 0.00 -0.99 0.41 -1.00 0.00 0.00 179.01 177.44 1nrr n GLY 186 N -0.20 -1.11 3.54 -3.84 0.00 -1.08 -4.97 105.19 97.53 1nrr n GLY 186 Ca 0.01 0.49 -0.15 0.00 0.00 0.00 0.00 46.02 46.37 1nrr n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nrr s LYS 186 N -5.85 0.82 0.08 1.61 2.20 -1.26 -5.18 119.74 112.17 1nrr s LYS 186 Ca 0.23 0.73 0.01 0.00 -0.36 0.00 0.00 55.97 56.58 1nrr s LYS 186 Cb -0.12 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1nrr s LYS 186 CO 0.91 -0.14 0.09 2.89 -0.36 0.00 0.00 175.35 178.74 1nrr n ARG 187 N 2.30 0.13 0.00 4.03 1.85 -1.26 -4.69 116.66 119.02 1nrr n ARG 187 Ca -0.15 -0.78 0.00 0.00 -1.00 0.00 0.00 57.85 55.92 1nrr n ARG 187 Cb 0.56 0.68 0.00 0.00 -1.05 0.00 0.00 32.46 32.65 1nrr n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nrr n GLY 188 N -0.15 3.86 3.66 2.89 0.00 -1.26 -4.92 105.19 109.27 1nrr n GLY 188 Ca 0.01 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 1nrr n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nrr s ASP 189 N 0.00 -0.10 1.02 1.61 2.15 -0.64 -4.75 116.67 115.96 1nrr s ASP 189 Ca 0.00 -0.21 -0.17 0.00 0.43 0.00 0.00 52.55 52.60 1nrr s ASP 189 Cb 0.00 0.26 0.23 0.00 -0.30 0.00 0.00 42.92 43.12 1nrr s ASP 189 CO 0.00 -0.48 1.32 0.00 -0.17 0.00 0.00 175.17 175.84 1nrr n ALA 190 N -0.46 -1.73 -3.86 3.66 0.00 -1.26 -1.63 120.51 115.24 1nrr n ALA 190 Ca -0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 53.44 51.59 1nrr n ALA 190 Cb 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1nrr n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nrr s GLU 192 N -2.32 3.67 0.00 0.00 8.01 -1.26 -1.61 118.70 125.19 1nrr s GLU 192 Ca 0.20 2.42 0.00 0.00 0.01 0.00 0.00 54.97 57.60 1nrr s GLU 192 Cb -0.02 -2.65 0.00 0.00 -4.31 0.00 0.00 34.13 27.15 1nrr s GLU 192 CO 0.05 -0.83 0.00 0.41 0.01 0.00 0.00 175.26 174.90 1nrr n GLY 193 N 0.58 2.51 0.14 -1.39 0.00 -1.26 -1.60 105.19 104.17 1nrr n GLY 193 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1nrr n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nrr h ASP 194 N 0.00 0.00 -2.49 1.61 3.32 -1.62 -3.33 116.42 113.90 1nrr h ASP 194 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1nrr h ASP 194 Cb 0.00 0.00 0.18 0.00 0.22 0.00 0.00 39.33 39.73 1nrr h ASP 194 CO 0.00 0.28 -0.81 -1.20 -1.72 0.00 0.00 179.24 175.79 1nrr n SER 195 N -3.00 -2.48 0.00 6.45 7.64 -1.26 -1.59 113.62 119.39 1nrr n SER 195 Ca -0.00 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1nrr n SER 195 Cb 0.67 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1nrr n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nrr n GLY 196 N 2.18 2.82 3.74 0.23 0.00 -0.85 -0.45 105.19 112.87 1nrr n GLY 196 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1nrr n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nrr s GLY 197 N -1.11 2.77 0.24 -0.02 0.00 -0.62 -2.85 107.32 105.73 1nrr s GLY 197 Ca 0.00 1.08 -0.25 0.00 0.00 0.00 0.00 44.72 45.55 1nrr s GLY 197 CO 0.00 1.49 0.85 2.56 0.00 0.00 0.00 173.10 177.99 1nrr s PRO 198 N -3.36 4.55 -0.34 2.90 0.04 -1.26 -1.28 135.00 136.24 1nrr s PRO 198 Ca 0.79 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1nrr s PRO 198 Cb -0.33 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1nrr s PRO 198 CO 0.36 0.43 0.36 0.12 0.04 0.00 0.00 177.00 178.31 1nrr s PHE 199 N -1.39 3.21 0.17 0.56 2.19 0.38 -3.91 117.98 119.19 1nrr s PHE 199 Ca 0.43 -0.04 0.11 0.00 0.33 0.00 0.00 56.93 57.76 1nrr s PHE 199 Cb -0.21 -2.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.79 1nrr s PHE 199 CO 0.25 -0.44 -0.21 0.14 1.83 0.00 0.00 175.22 176.80 1nrr s VAL 200 N 2.01 2.57 0.07 3.12 -7.23 0.01 -0.91 120.40 120.05 1nrr s VAL 200 Ca 0.12 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1nrr s VAL 200 Cb -0.17 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1nrr s VAL 200 CO 0.12 -0.06 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.68 1nrr s MET 201 N -2.55 0.81 -0.29 4.82 -1.94 -0.24 -1.51 119.30 118.40 1nrr s MET 201 Ca 0.20 -0.97 -0.10 0.00 -1.71 0.00 0.00 55.69 53.12 1nrr s MET 201 Cb -0.09 -0.76 -0.03 0.00 2.01 0.00 0.00 34.83 35.96 1nrr s MET 201 CO 0.10 0.16 0.15 0.21 -0.01 0.00 0.00 175.02 175.64 1nrr s LYS 202 N -1.86 3.64 0.17 2.03 2.20 -1.26 0.11 119.74 124.77 1nrr s LYS 202 Ca -0.02 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 1nrr s LYS 202 Cb -0.09 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 1nrr s LYS 202 CO 0.02 -0.28 1.25 0.45 -0.36 0.00 0.00 175.35 176.43 1nrr s SER 203 N 1.68 7.00 0.25 1.43 0.15 0.15 -4.91 113.70 119.45 1nrr s SER 203 Ca 0.06 2.27 0.25 0.00 0.70 0.00 0.00 55.95 59.23 1nrr s SER 203 Cb -0.16 -2.60 0.88 0.00 -1.71 0.00 0.00 66.02 62.43 1nrr s SER 203 CO 0.08 -0.46 1.75 1.55 1.20 0.00 0.00 173.24 177.36 1nrr h PRO 204 N 5.60 0.00 0.07 5.44 0.13 -1.96 0.18 132.00 141.45 1nrr h PRO 204 Ca -0.44 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 1nrr h PRO 204 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1nrr h PRO 204 CO 0.77 0.00 -0.99 0.74 -0.23 0.00 0.00 178.00 178.30 1nrr h PHE 204 N 0.00 0.25 0.00 1.56 0.04 -1.97 -3.42 116.94 113.40 1nrr h PHE 204 Ca 0.00 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1nrr h PHE 204 Cb 0.59 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1nrr h PHE 204 CO 0.00 1.38 0.00 0.27 -0.60 0.00 0.00 178.31 179.36 1nrr n ASN 204 N -4.22 1.57 -1.91 2.17 2.04 -1.23 -5.03 115.26 108.65 1nrr n ASN 204 Ca -0.22 -1.71 -0.21 0.00 -0.44 0.00 0.00 54.58 52.00 1nrr n ASN 204 Cb 0.75 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.94 1nrr n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1nrr n ASN 205 N -0.36 -5.67 -4.88 0.53 4.13 0.61 -4.99 115.26 104.64 1nrr n ASN 205 Ca 0.00 0.30 -0.35 0.00 1.68 0.00 0.00 54.58 56.22 1nrr n ASN 205 Cb 0.25 -4.87 -0.05 0.00 -1.54 0.00 0.00 39.78 33.56 1nrr n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1nrr s ARG 206 N -4.27 3.61 0.06 3.52 0.52 -1.25 -4.77 118.95 116.37 1nrr s ARG 206 Ca 0.00 -0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 54.92 1nrr s ARG 206 Cb 0.00 -3.08 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 1nrr s ARG 206 CO 0.00 0.64 0.81 -1.58 0.02 0.00 0.00 175.30 175.20 1nrr s TRP 207 N -1.29 3.76 0.01 -0.53 0.52 -1.26 0.34 118.94 120.49 1nrr s TRP 207 Ca 0.28 1.56 0.08 0.00 0.02 0.00 0.00 56.10 58.04 1nrr s TRP 207 Cb -0.13 -2.88 -0.02 0.00 -1.15 0.00 0.00 33.47 29.29 1nrr s TRP 207 CO 0.16 0.26 -0.25 0.71 0.02 0.00 0.00 176.95 177.85 1nrr s TYR 208 N -0.07 2.22 -0.37 -1.98 1.51 0.29 -2.54 117.35 116.41 1nrr s TYR 208 Ca 0.41 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.79 1nrr s TYR 208 Cb -0.21 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1nrr s TYR 208 CO 0.25 0.04 0.97 -1.14 -1.11 0.00 0.00 175.55 174.56 1nrr s GLN 209 N -0.91 3.87 -0.13 -0.62 0.74 0.79 -1.08 119.66 122.31 1nrr s GLN 209 Ca 0.10 0.65 0.19 0.00 0.05 0.00 0.00 55.36 56.35 1nrr s GLN 209 Cb -0.10 -3.80 -0.26 0.00 1.10 0.00 0.00 33.01 29.95 1nrr s GLN 209 CO 0.01 -0.98 0.26 -1.33 -0.55 0.00 0.00 175.29 172.70 1nrr n MET 210 N 6.87 0.67 -4.15 1.67 2.81 -0.08 -4.26 117.12 120.66 1nrr n MET 210 Ca 0.08 -0.02 -0.11 0.00 -1.81 0.00 0.00 57.70 55.84 1nrr n MET 210 Cb 0.48 -1.56 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 1nrr n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1nrr s GLY 211 N -5.18 1.15 -0.07 3.03 0.00 -0.87 -1.95 107.32 103.44 1nrr s GLY 211 Ca -0.09 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.14 1nrr s GLY 211 CO 0.85 -1.30 -0.09 -0.42 0.00 0.00 0.00 173.10 172.14 1nrr s ILE 212 N -4.10 0.94 -0.19 0.90 1.01 -0.93 0.14 121.20 118.99 1nrr s ILE 212 Ca 0.31 -0.34 -0.37 0.00 0.00 0.00 0.00 60.65 60.25 1nrr s ILE 212 Cb 0.06 -0.91 -0.13 0.00 0.01 0.00 0.00 42.46 41.49 1nrr s ILE 212 CO 0.07 0.32 1.84 0.52 0.00 0.00 0.00 174.94 177.70 1nrr n VAL 213 N 4.11 0.45 0.02 2.92 0.31 -0.40 -0.73 118.33 125.01 1nrr n VAL 213 Ca -0.21 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.02 1nrr n VAL 213 Cb 0.51 -1.59 -0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1nrr n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nrr n SER 214 N 6.28 0.73 -3.80 4.52 2.88 -0.17 -2.00 113.62 122.05 1nrr n SER 214 Ca 0.25 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.80 1nrr n SER 214 Cb 0.22 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.38 1nrr n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nrr s TRP 215 N -1.66 -0.03 0.19 0.66 1.48 -0.91 -4.90 118.94 113.76 1nrr s TRP 215 Ca -0.02 -0.33 -0.23 0.00 -1.06 0.00 0.00 56.10 54.46 1nrr s TRP 215 Cb 0.00 0.39 0.07 0.00 -1.16 0.00 0.00 33.47 32.77 1nrr s TRP 215 CO 0.04 -0.97 0.96 0.20 -4.06 0.00 0.00 176.95 173.12 1nrr s GLY 216 N -2.91 -0.05 -0.30 3.67 0.00 -1.26 -0.13 107.32 106.35 1nrr s GLY 216 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1nrr s GLY 216 CO 0.01 0.77 0.01 -0.54 0.00 0.00 0.00 173.10 173.34 1nrr s GLU 217 N -2.84 1.49 0.78 2.90 2.02 -1.26 -4.99 118.70 116.80 1nrr s GLU 217 Ca 0.16 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1nrr s GLU 217 Cb -0.02 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1nrr s GLU 217 CO 0.04 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1nrr n GLY 219 N 4.49 -2.10 2.81 -1.39 0.00 -1.26 -4.80 105.19 102.94 1nrr n GLY 219 Ca -0.04 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.27 1nrr n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nrr n ASP 221 N 4.38 -5.74 -4.78 0.00 2.03 -1.26 -4.52 116.55 106.66 1nrr n ASP 221 Ca -0.21 -0.26 -0.38 0.00 0.52 0.00 0.00 54.79 54.46 1nrr n ASP 221 Cb 0.50 -4.67 -0.06 0.00 -0.72 0.00 0.00 41.12 36.17 1nrr n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1nrr s ARG 221 N -5.66 4.60 0.31 -0.67 1.81 -1.26 -4.92 118.95 113.16 1nrr s ARG 221 Ca 0.28 1.29 -0.29 0.00 -1.72 0.00 0.00 55.73 55.29 1nrr s ARG 221 Cb -0.13 -2.95 -0.11 0.00 -0.45 0.00 0.00 34.95 31.31 1nrr s ARG 221 CO 0.34 0.37 1.55 -0.51 -0.68 0.00 0.00 175.30 176.37 1nrr s ASP 222 N -1.49 6.40 0.00 0.23 1.11 -1.26 -2.28 116.67 119.38 1nrr s ASP 222 Ca 0.46 2.95 0.00 0.00 0.18 0.00 0.00 52.55 56.14 1nrr s ASP 222 Cb -0.20 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.14 1nrr s ASP 222 CO 0.25 -0.88 0.00 0.61 1.18 0.00 0.00 175.17 176.34 1nrr n GLY 223 N 1.70 2.45 3.85 0.21 0.00 -1.26 -5.03 105.19 107.12 1nrr n GLY 223 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1nrr n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrr s LYS 224 N -0.17 3.05 0.03 1.61 -0.14 -0.97 -4.72 119.74 118.44 1nrr s LYS 224 Ca 0.00 -0.90 -0.01 0.00 -1.36 0.00 0.00 55.97 53.70 1nrr s LYS 224 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 1nrr s LYS 224 CO 0.00 0.45 -0.01 0.71 -0.76 0.00 0.00 175.35 175.74 1nrr s TYR 225 N -1.94 0.35 0.28 3.18 1.51 -1.26 -4.79 117.35 114.67 1nrr s TYR 225 Ca 0.33 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 1nrr s TYR 225 Cb -0.09 -0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.41 1nrr s TYR 225 CO 0.25 -0.29 1.04 0.20 -1.11 0.00 0.00 175.55 175.65 1nrr s GLY 226 N -2.10 3.05 -0.06 0.71 0.00 -0.76 -4.66 107.32 103.49 1nrr s GLY 226 Ca -0.06 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1nrr s GLY 226 CO -0.05 1.36 -0.04 -1.36 0.00 0.00 0.00 173.10 173.02 1nrr s PHE 227 N -1.22 3.02 0.03 1.90 0.40 0.81 -1.37 117.98 121.56 1nrr s PHE 227 Ca 0.45 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.89 1nrr s PHE 227 Cb -0.29 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1nrr s PHE 227 CO 0.37 0.39 -0.10 0.71 0.70 0.00 0.00 175.22 177.30 1nrr s TYR 228 N -0.87 0.84 0.05 0.36 1.51 0.53 -1.00 117.35 118.76 1nrr s TYR 228 Ca 0.14 -0.36 -0.31 0.00 -1.01 0.00 0.00 57.07 55.53 1nrr s TYR 228 Cb -0.11 -0.50 -0.06 0.00 -0.11 0.00 0.00 41.96 41.17 1nrr s TYR 228 CO 0.03 -0.02 1.38 0.99 -1.11 0.00 0.00 175.55 176.82 1nrr s THR 229 N -0.94 3.60 -0.74 -0.71 2.01 0.09 -2.00 115.64 116.95 1nrr s THR 229 Ca -0.03 1.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.77 1nrr s THR 229 Cb -0.08 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1nrr s THR 229 CO 0.01 0.04 1.27 -2.28 -0.69 0.00 0.00 174.62 172.96 1nrr s HIS 230 N 1.83 2.29 0.20 4.92 2.46 -0.05 -2.19 115.29 124.76 1nrr s HIS 230 Ca 0.64 -0.05 -0.11 0.00 0.47 0.00 0.00 55.06 56.01 1nrr s HIS 230 Cb -0.33 -4.62 0.13 0.00 -0.13 0.00 0.00 32.58 27.63 1nrr s HIS 230 CO 0.28 -2.06 1.84 0.28 -2.47 0.00 0.00 174.74 172.61 1nrr h VAL 231 N 6.03 1.20 -0.72 0.89 2.07 -1.71 -2.62 116.25 121.39 1nrr h VAL 231 Ca -0.28 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1nrr h VAL 231 Cb 1.05 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1nrr h VAL 231 CO 1.28 0.21 0.46 0.15 0.02 0.00 0.00 177.57 179.68 1nrr h PHE 232 N 0.96 0.87 -0.31 1.57 3.57 -1.87 -1.81 116.94 119.91 1nrr h PHE 232 Ca 0.25 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1nrr h PHE 232 Cb -0.04 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1nrr h PHE 232 CO -0.01 0.51 0.13 0.00 -2.23 0.00 0.00 178.31 176.71 1nrr h ARG 233 N 0.91 0.43 -0.52 1.11 3.08 -1.85 -2.50 114.38 115.04 1nrr h ARG 233 Ca 0.28 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1nrr h ARG 233 Cb -0.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1nrr h ARG 233 CO -0.09 0.36 0.00 1.28 -1.07 0.00 0.00 179.97 180.45 1nrr n LEU 234 N -4.41 3.20 -0.26 3.04 4.77 -0.79 -4.62 117.00 117.94 1nrr n LEU 234 Ca 0.02 -1.52 0.06 0.00 -0.03 0.00 0.00 56.01 54.53 1nrr n LEU 234 Cb 0.13 -0.34 0.19 0.00 -2.33 0.00 0.00 43.42 41.07 1nrr n LEU 234 CO 0.36 0.76 1.01 0.50 -1.33 0.00 0.00 177.39 178.69 1nrr h LYS 235 N 3.73 0.40 -0.27 3.23 3.11 -0.88 -1.88 116.57 124.02 1nrr h LYS 235 Ca 0.00 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.72 1nrr h LYS 235 Cb 0.84 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 1nrr h LYS 235 CO 0.00 0.27 -0.25 0.87 -2.81 0.00 0.00 179.45 177.52 1nrr h LYS 236 N 0.42 0.52 -0.40 1.90 6.56 -1.82 -0.96 116.57 122.78 1nrr h LYS 236 Ca 0.42 -0.20 -0.08 0.00 -1.06 0.00 0.00 60.65 59.73 1nrr h LYS 236 Cb 0.66 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1nrr h LYS 236 CO -0.42 0.73 -0.05 2.35 -2.06 0.00 0.00 179.45 179.99 1nrr h TRP 237 N 0.45 0.83 0.13 -1.35 7.01 -1.72 0.11 115.95 121.41 1nrr h TRP 237 Ca 0.07 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.90 1nrr h TRP 237 Cb 0.68 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1nrr h TRP 237 CO 0.02 0.85 -0.09 0.82 -2.79 0.00 0.00 178.44 177.26 1nrr h ILE 238 N 0.57 0.81 -0.37 2.65 2.04 -1.06 -1.04 117.51 121.11 1nrr h ILE 238 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1nrr h ILE 238 Cb 0.56 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1nrr h ILE 238 CO 0.03 0.00 0.04 1.56 0.00 0.00 0.00 178.15 179.78 1nrr h GLN 239 N -0.21 0.15 -0.55 2.37 4.20 -1.06 -1.63 115.11 118.37 1nrr h GLN 239 Ca -0.01 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.76 1nrr h GLN 239 Cb 0.18 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1nrr h GLN 239 CO 0.00 0.10 0.22 -0.22 -0.67 0.00 0.00 178.83 178.26 1nrr h LYS 240 N 0.15 0.41 -0.08 1.46 3.64 -0.68 0.58 116.57 122.05 1nrr h LYS 240 Ca 0.18 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1nrr h LYS 240 Cb 0.23 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1nrr h LYS 240 CO -0.27 0.27 -0.70 -0.39 -2.27 0.00 0.00 179.45 176.09 1nrr h VAL 241 N 0.42 1.38 -0.12 2.00 -1.51 -0.26 -2.26 116.25 115.91 1nrr h VAL 241 Ca 0.26 -2.11 -0.17 0.00 -1.23 0.00 0.00 66.70 63.45 1nrr h VAL 241 Cb 0.27 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1nrr h VAL 241 CO -0.24 0.63 -0.65 0.40 -1.23 0.00 0.00 177.57 176.48 1nrr h ILE 242 N 0.26 1.35 -0.13 7.19 2.04 -0.98 -0.19 117.51 127.06 1nrr h ILE 242 Ca -0.02 -1.98 -0.08 0.00 1.00 0.00 0.00 64.86 63.77 1nrr h ILE 242 Cb 1.26 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1nrr h ILE 242 CO 0.12 0.60 -0.29 0.44 0.00 0.00 0.00 178.15 179.02 1nrr h ASP 243 N 0.33 0.24 0.80 1.72 3.32 0.28 -3.16 116.42 119.95 1nrr h ASP 243 Ca -0.01 -0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.71 1nrr h ASP 243 Cb 1.20 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1nrr h ASP 243 CO 0.11 0.54 -1.27 1.56 -1.72 0.00 0.00 179.24 178.46 1nrr h GLN 244 N 0.21 0.01 0.00 3.56 4.20 -1.20 -3.51 115.11 118.39 1nrr h GLN 244 Ca 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1nrr h GLN 244 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1nrr h GLN 244 CO 0.05 0.82 0.00 1.19 -0.67 0.00 0.00 178.83 180.21