#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnr s LEU 12 N 0.00 4.30 0.29 0.99 1.43 -1.26 -4.99 118.68 119.44 3gnr s LEU 12 Ca 0.00 2.82 0.04 0.00 -1.03 0.00 0.00 54.13 55.96 3gnr s LEU 12 Cb 0.00 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3gnr s LEU 12 CO 0.00 -0.80 0.21 0.42 0.23 0.00 0.00 176.35 176.41 3gnr s THR 13 N -1.17 0.09 0.43 5.49 -4.23 -1.26 -4.76 115.64 110.23 3gnr s THR 13 Ca 0.54 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.17 3gnr s THR 13 Cb -0.42 -2.49 0.31 0.00 1.34 0.00 0.00 72.50 71.24 3gnr s THR 13 CO 0.55 0.00 2.01 0.03 -0.54 0.00 0.00 174.62 176.67 3gnr h ARG 14 N 2.26 0.41 0.00 3.99 3.08 -1.85 -0.81 114.38 121.47 3gnr h ARG 14 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3gnr h ARG 14 Cb 1.24 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3gnr h ARG 14 CO 0.45 0.27 0.00 0.78 -1.07 0.00 0.00 179.97 180.40 3gnr h GLY 15 N 0.43 0.00 2.00 0.04 0.00 -1.95 -1.18 103.07 102.41 3gnr h GLY 15 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3gnr h GLY 15 CO -0.06 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.92 3gnr n SER 16 N -2.34 0.49 -4.50 0.19 7.64 -0.31 -4.81 113.62 109.98 3gnr n SER 16 Ca -0.01 0.59 -0.25 0.00 1.01 0.00 0.00 58.87 60.22 3gnr n SER 16 Cb 0.10 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.49 3gnr n SER 16 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gnr s PHE 17 N -3.16 2.35 0.73 1.43 0.40 -0.45 -4.85 117.98 114.43 3gnr s PHE 17 Ca 0.08 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 3gnr s PHE 17 Cb 0.11 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.56 3gnr s PHE 17 CO 0.44 0.67 1.17 -2.30 0.70 0.00 0.00 175.22 175.89 3gnr n PRO 18 N -0.69 0.57 -1.78 0.24 -0.02 -1.26 -4.89 135.00 127.17 3gnr n PRO 18 Ca -0.05 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 3gnr n PRO 18 Cb 0.61 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3gnr n PRO 18 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3gnr s GLU 19 N -3.66 4.10 0.00 -0.52 2.02 -1.26 -1.84 118.70 117.54 3gnr s GLU 19 Ca 0.76 2.60 0.00 0.00 0.02 0.00 0.00 54.97 58.35 3gnr s GLU 19 Cb -0.33 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 30.92 3gnr s GLU 19 CO 0.47 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.58 3gnr n GLY 20 N 0.97 1.12 3.71 -1.39 0.00 -1.26 -5.01 105.19 103.33 3gnr n GLY 20 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3gnr n GLY 20 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gnr n PHE 21 N -2.00 2.63 -3.41 1.61 7.35 -0.76 -4.95 117.46 117.93 3gnr n PHE 21 Ca 0.00 0.14 -0.38 0.00 -0.76 0.00 0.00 57.45 56.45 3gnr n PHE 21 Cb 0.00 -2.62 -0.08 0.00 0.35 0.00 0.00 39.48 37.13 3gnr n PHE 21 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gnr s VAL 22 N 0.87 5.21 -0.11 -2.13 1.01 -0.66 -4.97 120.40 119.62 3gnr s VAL 22 Ca 0.74 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 3gnr s VAL 22 Cb -0.55 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3gnr s VAL 22 CO 0.37 0.24 -0.05 -0.36 0.00 0.00 0.00 175.10 175.30 3gnr s PHE 23 N 1.42 3.01 0.28 5.22 0.08 -1.26 -0.28 117.98 126.44 3gnr s PHE 23 Ca 0.17 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 3gnr s PHE 23 Cb -0.15 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3gnr s PHE 23 CO 0.08 0.19 0.43 0.41 -0.10 0.00 0.00 175.22 176.23 3gnr n GLY 24 N 2.78 2.07 3.38 4.36 0.00 0.00 -0.14 105.19 117.65 3gnr n GLY 24 Ca -0.18 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 3gnr n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gnr s THR 25 N -2.63 1.74 0.13 2.61 -4.23 -1.17 -1.49 115.64 110.60 3gnr s THR 25 Ca 0.20 -2.19 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 3gnr s THR 25 Cb -0.01 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3gnr s THR 25 CO 0.14 -0.48 -0.18 0.00 -0.54 0.00 0.00 174.62 173.56 3gnr s ALA 26 N -2.96 1.82 0.27 3.99 0.00 -0.10 -0.89 121.76 123.88 3gnr s ALA 26 Ca 0.26 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 3gnr s ALA 26 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3gnr s ALA 26 CO 0.09 0.26 0.39 -1.54 0.00 0.00 0.00 175.76 174.96 3gnr s SER 27 N -2.31 0.29 -0.00 0.00 1.04 0.04 -3.02 113.70 109.74 3gnr s SER 27 Ca 0.10 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.29 3gnr s SER 27 Cb -0.07 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3gnr s SER 27 CO 0.05 -1.12 0.06 0.00 0.98 0.00 0.00 173.24 173.21 3gnr s ALA 28 N -3.75 -0.11 0.12 5.32 0.00 -1.26 -4.19 121.76 117.88 3gnr s ALA 28 Ca 0.29 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 3gnr s ALA 28 Cb 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 3gnr s ALA 28 CO 0.13 -0.14 1.68 0.00 0.00 0.00 0.00 175.76 177.44 3gnr h ALA 29 N 4.96 -0.11 0.00 0.00 0.00 -1.90 -2.15 119.26 120.06 3gnr h ALA 29 Ca -0.29 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3gnr h ALA 29 Cb 1.20 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3gnr h ALA 29 CO 0.42 -0.60 -0.45 -0.92 0.00 0.00 0.00 179.25 177.70 3gnr h TYR 30 N -0.19 0.00 0.00 0.00 3.20 -1.93 0.67 116.97 118.72 3gnr h TYR 30 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3gnr h TYR 30 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3gnr h TYR 30 CO -0.20 0.45 0.00 1.96 -1.64 0.00 0.00 178.16 178.73 3gnr h GLN 31 N 0.00 0.00 0.00 1.82 4.20 -1.73 -3.40 115.11 116.00 3gnr h GLN 31 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3gnr h GLN 31 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3gnr h GLN 31 CO 0.06 0.00 -1.26 0.66 -0.67 0.00 0.00 178.83 177.62 3gnr n TYR 32 N -2.80 0.00 -0.05 2.96 4.02 -0.84 -2.43 117.16 118.01 3gnr n TYR 32 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.81 3gnr n TYR 32 Cb 0.47 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 3gnr n TYR 32 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3gnr h GLU 33 N -0.05 0.31 0.00 -0.72 5.08 -1.09 -1.74 114.58 116.38 3gnr h GLU 33 Ca -0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3gnr h GLU 33 Cb 1.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3gnr h GLU 33 CO -0.03 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 3gnr n GLY 34 N -0.07 0.68 4.09 -3.84 0.00 -1.19 -1.71 105.19 103.14 3gnr n GLY 34 Ca -0.06 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3gnr n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnr n ALA 35 N 5.22 -1.54 0.24 4.61 0.00 -0.97 -4.84 120.51 123.23 3gnr n ALA 35 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.45 3gnr n ALA 35 Cb 0.00 -2.89 0.60 0.00 0.00 0.00 0.00 19.45 17.16 3gnr n ALA 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3gnr h VAL 36 N -1.70 0.87 -0.23 0.00 -1.51 -1.87 -2.35 116.25 109.47 3gnr h VAL 36 Ca -0.60 -0.65 -0.00 0.00 -1.23 0.00 0.00 66.70 64.22 3gnr h VAL 36 Cb 1.38 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3gnr h VAL 36 CO 0.71 0.17 -0.00 0.29 -1.23 0.00 0.00 177.57 177.51 3gnr n LYS 37 N -3.97 2.73 -3.79 5.19 5.02 -1.26 -4.68 118.16 117.40 3gnr n LYS 37 Ca -0.02 -2.82 -0.33 0.00 -2.02 0.00 0.00 58.31 53.12 3gnr n LYS 37 Cb 0.26 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 3gnr n LYS 37 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3gnr s GLU 38 N -2.84 3.55 -1.52 1.97 2.12 -0.88 -4.54 118.70 116.55 3gnr s GLU 38 Ca 0.41 -0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.43 3gnr s GLU 38 Cb 0.34 -3.02 0.08 0.00 0.26 0.00 0.00 34.13 31.79 3gnr s GLU 38 CO 0.08 0.60 0.97 -0.25 -0.54 0.00 0.00 175.26 176.12 3gnr n ASP 39 N 0.70 -4.92 0.00 -1.70 8.00 -1.26 -2.14 116.55 115.23 3gnr n ASP 39 Ca -0.08 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3gnr n ASP 39 Cb 0.52 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 3gnr n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gnr n GLY 40 N -1.68 0.81 3.67 0.44 0.00 -1.26 -4.54 105.19 102.63 3gnr n GLY 40 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 3gnr n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gnr n ARG 41 N -2.29 2.19 -2.44 1.61 0.63 -0.91 -4.71 116.66 110.74 3gnr n ARG 41 Ca 0.00 0.79 -0.31 0.00 -0.92 0.00 0.00 57.85 57.41 3gnr n ARG 41 Cb 0.00 -2.56 -0.02 0.00 0.45 0.00 0.00 32.46 30.33 3gnr n ARG 41 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3gnr s GLY 42 N 0.89 1.85 0.41 5.14 0.00 -0.16 -4.76 107.32 110.69 3gnr s GLY 42 Ca 0.78 -0.10 -0.26 0.00 0.00 0.00 0.00 44.72 45.14 3gnr s GLY 42 CO 0.38 0.14 1.37 1.62 0.00 0.00 0.00 173.10 176.60 3gnr s GLN 43 N -4.37 3.94 0.41 2.90 2.00 -1.26 -4.82 119.66 118.47 3gnr s GLN 43 Ca 0.54 2.30 0.07 0.00 -2.00 0.00 0.00 55.36 56.27 3gnr s GLN 43 Cb -0.10 -2.78 -0.05 0.00 0.80 0.00 0.00 33.01 30.87 3gnr s GLN 43 CO 0.39 -0.57 0.17 0.95 -0.50 0.00 0.00 175.29 175.73 3gnr s THR 44 N -1.21 2.30 0.52 -0.34 -4.23 -1.26 -0.30 115.64 111.11 3gnr s THR 44 Ca 0.57 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 59.63 3gnr s THR 44 Cb -0.41 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 70.75 3gnr s THR 44 CO 0.53 -0.00 2.17 0.16 -0.54 0.00 0.00 174.62 176.94 3gnr h ILE 45 N 1.45 0.63 0.00 2.99 3.07 -1.34 -2.16 117.51 122.15 3gnr h ILE 45 Ca -0.43 -0.22 -0.21 0.00 1.55 0.00 0.00 64.86 65.55 3gnr h ILE 45 Cb 1.25 1.13 -0.03 0.00 -0.27 0.00 0.00 36.82 38.91 3gnr h ILE 45 CO 0.71 0.05 -1.02 -0.50 -1.05 0.00 0.00 178.15 176.34 3gnr h TRP 46 N 0.00 0.00 -0.28 0.16 4.06 -1.84 -0.24 115.95 117.81 3gnr h TRP 46 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3gnr h TRP 46 Cb 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3gnr h TRP 46 CO 0.00 0.97 0.16 -0.44 -3.56 0.00 0.00 178.44 175.57 3gnr h ASP 47 N 0.00 0.34 0.04 -3.49 3.32 -1.80 0.10 116.42 114.93 3gnr h ASP 47 Ca -0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3gnr h ASP 47 Cb 1.76 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.23 3gnr h ASP 47 CO 0.12 0.32 -0.03 0.74 -1.72 0.00 0.00 179.24 178.67 3gnr h THR 48 N 0.34 0.92 -0.04 0.35 2.02 -1.42 -1.91 112.91 113.18 3gnr h THR 48 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3gnr h THR 48 Cb 0.05 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3gnr h THR 48 CO -0.02 0.00 -0.02 0.15 0.37 0.00 0.00 175.52 176.01 3gnr h PHE 49 N -0.08 -0.04 0.00 3.16 3.57 -0.94 -2.42 116.94 120.19 3gnr h PHE 49 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3gnr h PHE 49 Cb 0.07 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3gnr h PHE 49 CO -0.09 -0.03 -0.07 0.00 -2.23 0.00 0.00 178.31 175.90 3gnr h ALA 50 N 1.03 1.24 -0.55 2.41 0.00 -0.69 -2.05 119.26 120.64 3gnr h ALA 50 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gnr h ALA 50 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gnr h ALA 50 CO -0.05 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.01 3gnr n HIS 51 N -3.51 1.81 -4.76 0.00 8.25 -0.73 -4.75 115.22 111.53 3gnr n HIS 51 Ca -0.02 -0.72 -0.33 0.00 -0.26 0.00 0.00 57.72 56.39 3gnr n HIS 51 Cb 0.19 -0.43 -0.14 0.00 1.12 0.00 0.00 29.99 30.73 3gnr n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gnr s THR 52 N -2.57 3.19 0.21 1.59 2.01 -0.77 -5.03 115.64 114.27 3gnr s THR 52 Ca 0.52 -0.64 -0.32 0.00 0.31 0.00 0.00 61.69 61.57 3gnr s THR 52 Cb 0.39 -2.32 -0.14 0.00 0.01 0.00 0.00 72.50 70.44 3gnr s THR 52 CO 0.17 0.55 1.34 0.33 -0.69 0.00 0.00 174.62 176.32 3gnr n PHE 53 N 3.08 1.90 0.00 4.92 7.35 -1.26 -3.04 117.46 130.41 3gnr n PHE 53 Ca -0.18 0.50 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 3gnr n PHE 53 Cb 0.53 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.95 3gnr n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gnr n GLY 54 N 2.19 0.95 0.08 7.13 0.00 -1.26 -4.91 105.19 109.38 3gnr n GLY 54 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3gnr n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gnr h LYS 55 N 3.41 0.00 -5.18 1.61 1.79 -1.81 -3.44 116.57 112.95 3gnr h LYS 55 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 3gnr h LYS 55 Cb 0.00 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.36 3gnr h LYS 55 CO 0.00 0.50 -0.78 0.42 -1.08 0.00 0.00 179.45 178.51 3gnr s ILE 56 N -2.69 2.87 0.40 1.86 -1.09 -1.26 -4.69 121.20 116.60 3gnr s ILE 56 Ca -0.03 -0.70 0.08 0.00 -2.23 0.00 0.00 60.65 57.77 3gnr s ILE 56 Cb 0.08 -2.23 0.20 0.00 -1.58 0.00 0.00 42.46 38.93 3gnr s ILE 56 CO 0.82 0.50 1.97 0.71 -1.23 0.00 0.00 174.94 177.71 3gnr h THR 57 N 5.62 1.14 -0.56 2.92 1.35 -0.84 -1.21 112.91 121.34 3gnr h THR 57 Ca -0.34 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3gnr h THR 57 Cb 1.19 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3gnr h THR 57 CO 0.58 0.18 0.00 -0.90 -0.25 0.00 0.00 175.52 175.13 3gnr n ASP 58 N -4.36 4.34 -1.21 5.36 5.75 -1.26 -4.95 116.55 120.22 3gnr n ASP 58 Ca 0.01 -2.43 -0.16 0.00 -0.01 0.00 0.00 54.79 52.20 3gnr n ASP 58 Cb 0.18 -0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 39.69 3gnr n ASP 58 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3gnr n PHE 59 N 0.86 0.00 -2.76 2.11 3.01 -0.46 -4.97 117.46 115.24 3gnr n PHE 59 Ca 0.23 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.48 3gnr n PHE 59 Cb 0.81 -2.82 0.06 0.00 -0.01 0.00 0.00 39.48 37.52 3gnr n PHE 59 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gnr s SER 60 N -2.78 4.96 0.28 4.37 1.04 -1.26 -5.05 113.70 115.25 3gnr s SER 60 Ca 0.00 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 3gnr s SER 60 Cb 0.00 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 3gnr s SER 60 CO 0.00 -1.39 0.30 0.54 0.98 0.00 0.00 173.24 173.66 3gnr s ASN 61 N -4.58 0.73 -0.33 7.02 2.20 -1.26 -4.86 114.94 113.86 3gnr s ASN 61 Ca 0.61 -1.46 0.07 0.00 -0.94 0.00 0.00 52.86 51.15 3gnr s ASN 61 Cb -0.07 0.52 0.50 0.00 -2.00 0.00 0.00 41.25 40.19 3gnr s ASN 61 CO 0.40 -1.05 1.48 0.00 -2.94 0.00 0.00 177.10 174.99 3gnr n ALA 62 N -0.45 4.66 -0.18 3.54 0.00 -1.26 -4.57 120.51 122.25 3gnr n ALA 62 Ca 0.03 -3.29 0.05 0.00 0.00 0.00 0.00 53.44 50.23 3gnr n ALA 62 Cb 0.63 -0.77 0.34 0.00 0.00 0.00 0.00 19.45 19.65 3gnr n ALA 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gnr h ASP 63 N 1.28 0.69 0.00 0.00 5.19 -1.95 -3.26 116.42 118.37 3gnr h ASP 63 Ca 0.29 -0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.49 3gnr h ASP 63 Cb 1.58 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.90 3gnr h ASP 63 CO 0.57 0.46 -1.77 0.52 -3.12 0.00 0.00 179.24 175.89 3gnr n VAL 64 N -4.47 0.78 0.00 -1.35 0.31 -1.26 -2.30 118.33 110.04 3gnr n VAL 64 Ca 0.10 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3gnr n VAL 64 Cb 0.18 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3gnr n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gnr n ALA 65 N -2.84 0.00 -0.46 3.52 0.00 -1.23 -1.07 120.51 118.43 3gnr n ALA 65 Ca -0.23 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.28 3gnr n ALA 65 Cb 0.77 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.43 3gnr n ALA 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gnr n VAL 66 N 0.00 1.45 -2.97 0.00 0.24 -1.03 -4.95 118.33 111.07 3gnr n VAL 66 Ca 0.00 -1.27 -0.22 0.00 -2.04 0.00 0.00 64.34 60.81 3gnr n VAL 66 Cb 0.00 0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.65 3gnr n VAL 66 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3gnr n ASP 67 N 0.34 -5.99 0.29 -1.34 2.03 -0.23 -4.86 116.55 106.78 3gnr n ASP 67 Ca 0.16 -0.26 0.17 0.00 0.52 0.00 0.00 54.79 55.39 3gnr n ASP 67 Cb 0.61 -4.86 0.83 0.00 -0.72 0.00 0.00 41.12 36.99 3gnr n ASP 67 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3gnr h GLN 68 N -1.22 0.00 -1.00 -0.67 4.15 -1.07 -1.07 115.11 114.23 3gnr h GLN 68 Ca -0.52 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.05 3gnr h GLN 68 Cb 1.36 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.96 3gnr h GLN 68 CO 0.57 0.04 0.62 -0.92 -1.93 0.00 0.00 178.83 177.22 3gnr h TYR 69 N 0.00 1.10 0.00 3.99 3.20 -1.56 -2.10 116.97 121.60 3gnr h TYR 69 Ca -0.00 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.68 3gnr h TYR 69 Cb 0.34 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3gnr h TYR 69 CO 0.00 0.35 -1.93 0.72 -1.64 0.00 0.00 178.16 175.66 3gnr n HIS 70 N -4.68 0.42 -0.57 -3.82 8.25 -0.74 -4.57 115.22 109.50 3gnr n HIS 70 Ca 0.21 0.14 0.08 0.00 -0.26 0.00 0.00 57.72 57.89 3gnr n HIS 70 Cb 0.46 -0.95 0.27 0.00 1.12 0.00 0.00 29.99 30.89 3gnr n HIS 70 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gnr n ARG 71 N -2.73 3.26 0.15 -0.41 1.74 -0.48 -4.66 116.66 113.52 3gnr n ARG 71 Ca -0.18 -2.62 0.09 0.00 -0.77 0.00 0.00 57.85 54.36 3gnr n ARG 71 Cb 0.93 -1.68 0.59 0.00 -1.02 0.00 0.00 32.46 31.28 3gnr n ARG 71 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3gnr h PHE 72 N 2.91 0.15 -0.39 -1.55 -0.00 -1.63 -2.21 116.94 114.21 3gnr h PHE 72 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.88 3gnr h PHE 72 Cb 1.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 37.11 3gnr h PHE 72 CO 0.53 0.09 -0.11 0.93 -0.00 0.00 0.00 178.31 179.75 3gnr h GLU 73 N 0.16 0.76 -0.11 6.09 5.08 -1.89 0.55 114.58 125.23 3gnr h GLU 73 Ca 0.08 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3gnr h GLU 73 Cb 0.13 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3gnr h GLU 73 CO -0.01 0.91 -0.18 1.49 -1.00 0.00 0.00 179.01 180.21 3gnr h GLU 74 N 0.57 -0.23 -0.36 2.33 4.81 -1.78 -2.08 114.58 117.85 3gnr h GLU 74 Ca 0.10 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3gnr h GLU 74 Cb 0.63 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3gnr h GLU 74 CO 0.04 -0.15 0.20 -0.44 -0.73 0.00 0.00 179.01 177.92 3gnr h ASP 75 N -0.24 0.43 -0.61 1.04 3.32 -1.10 -0.95 116.42 118.30 3gnr h ASP 75 Ca 0.09 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3gnr h ASP 75 Cb 0.37 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3gnr h ASP 75 CO -0.25 0.35 0.12 0.40 -1.72 0.00 0.00 179.24 178.14 3gnr h ILE 76 N 0.49 1.26 -0.87 0.35 2.04 -0.53 -1.08 117.51 119.17 3gnr h ILE 76 Ca 0.13 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.06 3gnr h ILE 76 Cb 0.01 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3gnr h ILE 76 CO -0.02 0.36 0.56 -0.61 0.00 0.00 0.00 178.15 178.43 3gnr h GLN 77 N 0.91 1.03 -0.08 2.37 5.75 -0.53 -0.73 115.11 123.83 3gnr h GLN 77 Ca 0.19 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 3gnr h GLN 77 Cb 0.40 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3gnr h GLN 77 CO 0.01 0.68 -0.22 -0.07 -2.65 0.00 0.00 178.83 176.58 3gnr h LEU 78 N 1.06 0.12 -0.02 -2.39 3.38 -0.48 -0.07 115.31 116.92 3gnr h LEU 78 Ca 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3gnr h LEU 78 Cb 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gnr h LEU 78 CO -0.13 0.36 -0.01 0.24 0.09 0.00 0.00 178.44 178.99 3gnr h MET 79 N 0.12 0.05 -0.14 1.13 2.86 -0.79 -3.26 114.93 114.90 3gnr h MET 79 Ca 0.02 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3gnr h MET 79 Cb 0.47 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3gnr h MET 79 CO 0.03 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.44 3gnr h ALA 80 N 0.61 1.75 -0.11 6.32 0.00 -0.67 -1.70 119.26 125.46 3gnr h ALA 80 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gnr h ALA 80 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gnr h ALA 80 CO 0.00 0.20 0.11 -0.44 0.00 0.00 0.00 179.25 179.12 3gnr h ASP 81 N 0.20 0.00 0.19 0.00 3.32 -1.06 -1.10 116.42 117.97 3gnr h ASP 81 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3gnr h ASP 81 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3gnr h ASP 81 CO 0.00 0.00 -0.74 0.23 -1.72 0.00 0.00 179.24 177.01 3gnr n MET 82 N -3.97 0.14 -1.62 3.56 2.81 -0.65 -4.84 117.12 112.54 3gnr n MET 82 Ca -0.00 -0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 55.78 3gnr n MET 82 Cb 0.22 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3gnr n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gnr n GLY 83 N 1.49 0.38 3.76 3.03 0.00 -0.42 -4.06 105.19 109.37 3gnr n GLY 83 Ca 0.05 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 3gnr n GLY 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gnr n MET 84 N -1.86 2.36 0.05 1.61 2.81 -1.13 -4.93 117.12 116.03 3gnr n MET 84 Ca -0.01 0.84 0.01 0.00 -1.81 0.00 0.00 57.70 56.72 3gnr n MET 84 Cb 0.32 -2.62 -0.07 0.00 -0.71 0.00 0.00 33.22 30.14 3gnr n MET 84 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3gnr h ASP 85 N 2.48 0.00 -5.12 7.83 3.32 -0.86 -3.45 116.42 120.62 3gnr h ASP 85 Ca -0.51 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 3gnr h ASP 85 Cb 1.26 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.70 3gnr h ASP 85 CO 0.62 0.56 -0.09 0.00 -1.72 0.00 0.00 179.24 178.61 3gnr s ALA 86 N -2.94 -0.72 -0.03 3.45 0.00 -0.97 -0.68 121.76 119.88 3gnr s ALA 86 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 3gnr s ALA 86 Cb 0.09 0.79 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3gnr s ALA 86 CO 0.80 -0.71 0.02 -0.47 0.00 0.00 0.00 175.76 175.40 3gnr s TYR 87 N -3.87 0.16 -0.22 0.00 5.04 -0.30 -3.07 117.35 115.10 3gnr s TYR 87 Ca 0.09 0.08 -0.17 0.00 -2.44 0.00 0.00 57.07 54.62 3gnr s TYR 87 Cb 0.01 -0.35 -0.03 0.00 0.35 0.00 0.00 41.96 41.94 3gnr s TYR 87 CO -0.05 -0.12 0.48 1.03 -1.34 0.00 0.00 175.55 175.54 3gnr s ARG 88 N 1.18 4.15 0.08 4.97 0.52 -0.07 -1.10 118.95 128.67 3gnr s ARG 88 Ca -0.08 0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 55.45 3gnr s ARG 88 Cb -0.13 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 3gnr s ARG 88 CO -0.03 -0.18 -0.02 -0.59 0.02 0.00 0.00 175.30 174.51 3gnr s PHE 89 N 1.75 0.68 0.16 -0.53 -0.12 -0.81 -0.78 117.98 118.33 3gnr s PHE 89 Ca 0.22 -1.08 0.07 0.00 -0.05 0.00 0.00 56.93 56.09 3gnr s PHE 89 Cb -0.15 -0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 3gnr s PHE 89 CO 0.09 -0.37 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.32 3gnr s SER 90 N -2.98 4.62 -0.12 1.98 1.04 -1.26 -0.80 113.70 116.18 3gnr s SER 90 Ca 0.12 -0.41 -0.19 0.00 0.48 0.00 0.00 55.95 55.94 3gnr s SER 90 Cb 0.07 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 3gnr s SER 90 CO -0.06 0.11 0.52 -0.63 0.98 0.00 0.00 173.24 174.17 3gnr s ILE 91 N -1.60 5.15 -0.43 -1.02 1.01 -0.35 -4.25 121.20 119.70 3gnr s ILE 91 Ca 0.26 1.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.66 3gnr s ILE 91 Cb -0.10 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3gnr s ILE 91 CO 0.17 0.29 1.40 0.00 0.00 0.00 0.00 174.94 176.80 3gnr s ALA 92 N 0.81 3.02 0.29 9.38 0.00 -1.26 -4.65 121.76 129.35 3gnr s ALA 92 Ca 0.28 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3gnr s ALA 92 Cb -0.16 -3.96 0.71 0.00 0.00 0.00 0.00 23.12 19.71 3gnr s ALA 92 CO 0.11 -2.45 1.64 2.35 0.00 0.00 0.00 175.76 177.41 3gnr h TRP 93 N 10.68 0.30 0.00 0.00 2.91 -1.80 -0.65 115.95 127.39 3gnr h TRP 93 Ca -0.27 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.80 3gnr h TRP 93 Cb 1.10 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 3gnr h TRP 93 CO 0.98 -0.23 0.00 -1.13 -1.03 0.00 0.00 178.44 177.02 3gnr n SER 94 N -5.25 0.00 0.13 2.65 3.41 -1.26 -0.62 113.62 112.68 3gnr n SER 94 Ca 0.21 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 3gnr n SER 94 Cb 0.69 -0.40 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 3gnr n SER 94 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gnr h ARG 95 N 0.00 0.00 0.00 4.33 3.08 -1.43 -0.37 114.38 119.99 3gnr h ARG 95 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3gnr h ARG 95 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3gnr h ARG 95 CO 0.00 0.14 -1.32 -0.89 -1.07 0.00 0.00 179.97 176.83 3gnr n ILE 96 N -2.94 1.50 -3.90 2.04 2.08 -0.35 -3.52 119.36 114.27 3gnr n ILE 96 Ca -0.00 -0.02 -0.30 0.00 0.56 0.00 0.00 62.75 62.98 3gnr n ILE 96 Cb 0.63 -2.13 -0.14 0.00 -0.75 0.00 0.00 39.64 37.24 3gnr n ILE 96 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3gnr s TYR 97 N -2.43 2.96 0.50 1.39 2.02 0.21 -0.29 117.35 121.72 3gnr s TYR 97 Ca -0.28 -2.79 0.24 0.00 -0.37 0.00 0.00 57.07 53.88 3gnr s TYR 97 Cb 0.07 -2.54 1.32 0.00 -0.40 0.00 0.00 41.96 40.40 3gnr s TYR 97 CO 0.46 -0.84 1.95 -1.35 -1.57 0.00 0.00 175.55 174.20 3gnr h PRO 98 N 7.13 0.12 -0.52 -1.71 0.11 -1.74 0.97 132.00 136.35 3gnr h PRO 98 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3gnr h PRO 98 Cb 0.96 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gnr h PRO 98 CO 0.56 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 3gnr n ASN 99 N -4.39 4.66 0.00 -2.05 3.02 -1.26 -4.28 115.26 110.96 3gnr n ASN 99 Ca 0.13 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.04 3gnr n ASN 99 Cb 0.67 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3gnr n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gnr n GLY 100 N 0.61 1.76 3.49 7.41 0.00 0.33 -4.45 105.19 114.35 3gnr n GLY 100 Ca 0.24 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3gnr n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gnr s VAL 101 N -0.06 0.69 0.00 1.61 -7.23 -1.26 -4.81 120.40 109.34 3gnr s VAL 101 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3gnr s VAL 101 Cb 0.00 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3gnr s VAL 101 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3gnr n GLY 102 N -0.85 1.03 3.70 2.32 0.00 -1.26 -4.83 105.19 105.29 3gnr n GLY 102 Ca -0.05 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3gnr n GLY 102 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gnr s GLN 103 N 0.00 4.46 0.25 1.61 0.74 -1.26 -5.01 119.66 120.45 3gnr s GLN 103 Ca 0.00 1.35 -0.30 0.00 0.05 0.00 0.00 55.36 56.46 3gnr s GLN 103 Cb 0.00 -3.51 -0.09 0.00 1.10 0.00 0.00 33.01 30.51 3gnr s GLN 103 CO 0.00 -0.20 1.08 0.08 -0.55 0.00 0.00 175.29 175.70 3gnr s VAL 104 N 1.60 3.64 -0.50 1.34 1.01 -1.26 -4.36 120.40 121.87 3gnr s VAL 104 Ca 0.48 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.90 3gnr s VAL 104 Cb -0.19 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.26 3gnr s VAL 104 CO 0.21 0.36 0.47 0.21 0.00 0.00 0.00 175.10 176.34 3gnr s ASN 105 N -0.73 6.17 0.34 3.32 2.47 0.61 -4.94 114.94 122.18 3gnr s ASN 105 Ca 0.45 -1.44 0.02 0.00 0.42 0.00 0.00 52.86 52.32 3gnr s ASN 105 Cb -0.31 -2.21 0.63 0.00 -1.45 0.00 0.00 41.25 37.92 3gnr s ASN 105 CO 0.38 -0.76 1.99 -0.61 -3.72 0.00 0.00 177.10 174.38 3gnr h GLN 106 N 8.84 0.85 -0.01 0.43 5.75 -1.87 -1.04 115.11 128.06 3gnr h GLN 106 Ca -0.29 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 3gnr h GLN 106 Cb 1.10 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 3gnr h GLN 106 CO 0.95 0.56 0.01 0.00 -2.65 0.00 0.00 178.83 177.70 3gnr h ALA 107 N 1.58 1.94 -0.18 3.38 0.00 -1.88 0.89 119.26 124.99 3gnr h ALA 107 Ca 0.27 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3gnr h ALA 107 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gnr h ALA 107 CO -0.07 -0.01 -0.15 0.78 0.00 0.00 0.00 179.25 179.80 3gnr h GLY 108 N 0.00 0.45 0.94 0.00 0.00 -1.23 -1.34 103.07 101.89 3gnr h GLY 108 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.90 3gnr h GLY 108 CO -0.00 0.40 0.15 -2.22 0.00 0.00 0.00 176.54 174.88 3gnr h ILE 109 N 0.07 1.03 -0.98 2.60 2.04 -1.29 -2.16 117.51 118.82 3gnr h ILE 109 Ca 0.03 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3gnr h ILE 109 Cb 0.68 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3gnr h ILE 109 CO 0.04 0.06 0.65 0.44 0.00 0.00 0.00 178.15 179.34 3gnr h ASP 110 N 0.32 1.12 0.26 1.72 3.32 -0.79 -0.36 116.42 122.01 3gnr h ASP 110 Ca 0.10 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3gnr h ASP 110 Cb -0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3gnr h ASP 110 CO -0.05 0.81 -0.13 -0.74 -1.72 0.00 0.00 179.24 177.41 3gnr h HIS 111 N 1.32 -0.33 -0.06 4.55 2.76 -1.01 -1.59 115.15 120.79 3gnr h HIS 111 Ca 0.36 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.45 3gnr h HIS 111 Cb -0.14 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3gnr h HIS 111 CO -0.00 -0.06 -0.29 1.88 -1.30 0.00 0.00 177.93 178.16 3gnr h TYR 112 N -0.57 0.12 -0.78 5.26 0.05 -1.21 -1.57 116.97 118.26 3gnr h TYR 112 Ca -0.04 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3gnr h TYR 112 Cb 0.42 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 3gnr h TYR 112 CO -0.00 0.40 0.51 -0.91 -1.05 0.00 0.00 178.16 177.10 3gnr h ASN 113 N 0.10 0.87 -0.73 3.88 2.35 -0.92 0.85 115.58 121.98 3gnr h ASN 113 Ca 0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gnr h ASN 113 Cb 0.58 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 3gnr h ASN 113 CO 0.04 0.62 0.44 0.11 -1.65 0.00 0.00 177.43 177.00 3gnr h LYS 114 N 1.03 0.98 -0.07 0.81 1.57 -0.51 -0.60 116.57 119.77 3gnr h LYS 114 Ca 0.29 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3gnr h LYS 114 Cb -0.08 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 3gnr h LYS 114 CO -0.08 0.69 0.01 1.25 -0.57 0.00 0.00 179.45 180.76 3gnr h LEU 115 N 0.99 0.12 -0.35 2.94 5.85 -0.96 -1.00 115.31 122.90 3gnr h LEU 115 Ca 0.26 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3gnr h LEU 115 Cb -0.04 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3gnr h LEU 115 CO -0.05 0.36 0.21 0.40 -0.34 0.00 0.00 178.44 179.02 3gnr h ILE 116 N -0.12 1.11 -0.66 4.05 2.04 -0.75 -0.86 117.51 122.32 3gnr h ILE 116 Ca 0.02 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3gnr h ILE 116 Cb 0.29 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3gnr h ILE 116 CO 0.00 0.11 0.20 0.44 0.00 0.00 0.00 178.15 178.90 3gnr h ASP 117 N 0.46 0.97 -0.65 1.72 3.32 -1.06 -1.04 116.42 120.12 3gnr h ASP 117 Ca 0.13 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3gnr h ASP 117 Cb -0.01 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3gnr h ASP 117 CO -0.02 0.92 0.18 0.00 -1.72 0.00 0.00 179.24 178.60 3gnr h ALA 118 N 1.08 0.86 0.09 3.45 0.00 -0.92 -0.11 119.26 123.71 3gnr h ALA 118 Ca 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gnr h ALA 118 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gnr h ALA 118 CO -0.01 0.55 -0.04 -0.07 0.00 0.00 0.00 179.25 179.68 3gnr h LEU 119 N 0.96 -0.10 -1.36 0.00 3.38 -0.87 -3.01 115.31 114.31 3gnr h LEU 119 Ca 0.21 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3gnr h LEU 119 Cb 0.33 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3gnr h LEU 119 CO -0.00 -0.02 -0.03 -0.07 0.09 0.00 0.00 178.44 178.41 3gnr h LEU 120 N -0.18 0.37 -1.57 1.67 3.38 -1.00 -0.14 115.31 117.84 3gnr h LEU 120 Ca -0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3gnr h LEU 120 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gnr h LEU 120 CO 0.02 0.45 -0.23 0.00 0.09 0.00 0.00 178.44 178.77 3gnr h ALA 121 N 1.60 1.42 -0.09 1.53 0.00 -0.95 -1.30 119.26 121.47 3gnr h ALA 121 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gnr h ALA 121 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gnr h ALA 121 CO 0.01 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.18 3gnr n LYS 122 N -3.97 1.81 -1.43 0.00 4.76 -0.72 -4.94 118.16 113.66 3gnr n LYS 122 Ca -0.02 -1.19 -0.01 0.00 -2.87 0.00 0.00 58.31 54.22 3gnr n LYS 122 Cb 0.31 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3gnr n LYS 122 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gnr n GLY 123 N 1.20 0.40 3.40 0.72 0.00 -0.49 -5.01 105.19 105.40 3gnr n GLY 123 Ca 0.18 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3gnr n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gnr s ILE 124 N -2.04 3.82 -0.00 -0.61 1.01 -0.14 -4.80 121.20 118.43 3gnr s ILE 124 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 3gnr s ILE 124 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3gnr s ILE 124 CO 0.00 0.41 1.08 -1.10 0.00 0.00 0.00 174.94 175.33 3gnr s GLN 125 N 1.31 4.47 0.00 2.79 -1.52 0.15 -3.27 119.66 123.59 3gnr s GLN 125 Ca 0.04 1.56 -0.30 0.00 -1.95 0.00 0.00 55.36 54.71 3gnr s GLN 125 Cb -0.15 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.16 3gnr s GLN 125 CO 0.01 -0.21 1.14 -1.25 -0.25 0.00 0.00 175.29 174.72 3gnr s PRO 126 N 1.33 4.44 -0.31 2.91 0.04 -1.26 -1.15 135.00 141.00 3gnr s PRO 126 Ca 0.54 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 3gnr s PRO 126 Cb -0.24 -3.45 0.06 0.00 0.04 0.00 0.00 34.50 30.91 3gnr s PRO 126 CO 0.26 -0.27 0.02 0.71 0.04 0.00 0.00 177.00 177.77 3gnr s TYR 127 N 1.45 3.30 -0.23 0.56 1.51 -0.26 -4.27 117.35 119.42 3gnr s TYR 127 Ca 0.56 -1.93 -0.06 0.00 -1.01 0.00 0.00 57.07 54.62 3gnr s TYR 127 Cb -0.25 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 3gnr s TYR 127 CO 0.26 -0.82 0.04 0.08 -1.11 0.00 0.00 175.55 174.00 3gnr s VAL 128 N 1.24 4.21 -0.16 0.71 1.01 -0.46 -1.92 120.40 125.02 3gnr s VAL 128 Ca -0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3gnr s VAL 128 Cb -0.20 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3gnr s VAL 128 CO -0.01 0.38 0.63 -0.89 0.00 0.00 0.00 175.10 175.21 3gnr s THR 129 N 1.31 5.04 0.05 3.92 2.01 0.02 -0.33 115.64 127.66 3gnr s THR 129 Ca 0.05 1.22 -0.14 0.00 0.31 0.00 0.00 61.69 63.13 3gnr s THR 129 Cb -0.15 -3.95 -0.31 0.00 0.01 0.00 0.00 72.50 68.10 3gnr s THR 129 CO 0.03 0.16 1.08 -0.07 -0.69 0.00 0.00 174.62 175.12 3gnr h LEU 130 N 7.77 0.84 -7.49 4.42 3.38 -0.70 -0.93 115.31 122.61 3gnr h LEU 130 Ca -0.34 -0.82 -0.61 0.00 0.09 0.00 0.00 57.88 56.21 3gnr h LEU 130 Cb 1.16 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 41.25 3gnr h LEU 130 CO 0.77 1.62 -0.76 -0.47 0.09 0.00 0.00 178.44 179.69 3gnr s TYR 131 N -2.86 2.37 -0.46 1.13 5.04 -0.19 -4.53 117.35 117.84 3gnr s TYR 131 Ca -0.09 -1.92 0.06 0.00 -2.44 0.00 0.00 57.07 52.68 3gnr s TYR 131 Cb 0.05 -1.83 0.40 0.00 0.35 0.00 0.00 41.96 40.93 3gnr s TYR 131 CO 0.93 -0.82 1.05 1.58 -1.34 0.00 0.00 175.55 176.95 3gnr n HIS 132 N 4.67 3.34 -0.20 4.97 -0.00 -1.26 -1.27 115.22 125.46 3gnr n HIS 132 Ca -0.06 -3.32 0.00 0.00 0.46 0.00 0.00 57.72 54.80 3gnr n HIS 132 Cb 0.43 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 3gnr n HIS 132 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 3gnr n TRP 133 N -0.38 0.00 -2.50 1.57 8.01 -1.26 -4.80 117.44 118.08 3gnr n TRP 133 Ca 0.35 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.13 3gnr n TRP 133 Cb 0.61 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.92 3gnr n TRP 133 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3gnr n ASP 134 N 0.00 7.31 -4.73 -0.99 5.68 -1.26 -4.72 116.55 117.84 3gnr n ASP 134 Ca 0.00 -3.48 -0.42 0.00 -0.50 0.00 0.00 54.79 50.39 3gnr n ASP 134 Cb 0.00 -1.25 -0.03 0.00 -1.14 0.00 0.00 41.12 38.71 3gnr n ASP 134 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3gnr s LEU 135 N -3.35 4.36 0.07 -2.12 2.96 -1.26 -4.49 118.68 114.85 3gnr s LEU 135 Ca 0.42 2.91 -0.35 0.00 -0.22 0.00 0.00 54.13 56.88 3gnr s LEU 135 Cb 0.17 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 43.10 3gnr s LEU 135 CO -0.08 -0.97 1.54 -2.65 -1.32 0.00 0.00 176.35 172.87 3gnr n PRO 136 N 3.45 1.71 0.00 0.98 -0.02 -1.26 -0.97 135.00 138.89 3gnr n PRO 136 Ca 0.14 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 3gnr n PRO 136 Cb 0.36 -2.34 0.55 0.00 -0.02 0.00 0.00 33.50 32.05 3gnr n PRO 136 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3gnr h GLN 137 N 5.92 0.26 -0.95 -0.52 5.75 -0.90 -1.80 115.11 122.88 3gnr h GLN 137 Ca -0.46 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.18 3gnr h GLN 137 Cb 1.29 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.70 3gnr h GLN 137 CO 0.86 0.17 0.60 0.00 -2.65 0.00 0.00 178.83 177.82 3gnr h ALA 138 N 1.76 1.78 0.02 3.38 0.00 -1.85 0.11 119.26 124.47 3gnr h ALA 138 Ca 0.21 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3gnr h ALA 138 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gnr h ALA 138 CO -0.04 -0.07 -0.94 -0.07 0.00 0.00 0.00 179.25 178.13 3gnr h LEU 139 N 0.73 0.26 -0.39 0.00 3.38 -1.54 0.68 115.31 118.43 3gnr h LEU 139 Ca 0.50 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3gnr h LEU 139 Cb 0.79 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3gnr h LEU 139 CO -0.26 1.06 0.23 -0.08 0.09 0.00 0.00 178.44 179.47 3gnr h GLU 140 N 0.09 0.53 -0.56 1.13 4.57 -1.20 -1.60 114.58 117.54 3gnr h GLU 140 Ca -0.05 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 3gnr h GLU 140 Cb 1.59 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 30.05 3gnr h GLU 140 CO 0.14 0.41 0.02 -0.44 -1.18 0.00 0.00 179.01 177.96 3gnr h ASP 141 N 0.51 0.95 -0.05 1.04 3.32 -0.72 0.32 116.42 121.80 3gnr h ASP 141 Ca 0.14 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3gnr h ASP 141 Cb 0.02 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3gnr h ASP 141 CO -0.03 1.01 -0.00 0.50 -1.72 0.00 0.00 179.24 179.00 3gnr h LYS 142 N 0.86 0.08 0.00 3.56 3.64 -0.76 -3.40 116.57 120.55 3gnr h LYS 142 Ca 0.16 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3gnr h LYS 142 Cb 0.51 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.21 3gnr h LYS 142 CO 0.02 0.39 -0.48 2.48 -2.27 0.00 0.00 179.45 179.59 3gnr n TYR 143 N -4.87 0.00 -3.37 1.91 4.11 -0.81 -5.00 117.16 109.12 3gnr n TYR 143 Ca -0.07 -0.20 -0.24 0.00 -0.00 0.00 0.00 57.90 57.39 3gnr n TYR 143 Cb 0.19 0.08 0.05 0.00 -0.00 0.00 0.00 39.34 39.66 3gnr n TYR 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3gnr n LYS 144 N 0.12 -5.96 0.00 -3.48 5.02 0.10 -4.11 118.16 109.85 3gnr n LYS 144 Ca -0.03 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 3gnr n LYS 144 Cb 0.76 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 3gnr n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gnr n GLY 145 N -1.69 3.52 0.07 0.72 0.00 -0.67 -1.77 105.19 105.37 3gnr n GLY 145 Ca -0.04 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3gnr n GLY 145 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gnr n TRP 146 N 14.00 0.34 0.48 1.61 7.02 -1.26 -1.72 117.44 137.91 3gnr n TRP 146 Ca 0.00 0.16 0.13 0.00 -1.02 0.00 0.00 57.50 56.77 3gnr n TRP 146 Cb 0.00 -0.76 0.44 0.00 -2.42 0.00 0.00 31.31 28.57 3gnr n TRP 146 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3gnr h LEU 147 N 0.00 0.00 -8.83 -0.99 3.38 -1.62 -3.38 115.31 103.87 3gnr h LEU 147 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3gnr h LEU 147 Cb 0.09 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.60 3gnr h LEU 147 CO 0.00 0.00 -0.76 -0.62 0.09 0.00 0.00 178.44 177.15 3gnr s ASP 148 N -4.67 4.08 0.59 -0.43 -1.08 -0.70 -4.93 116.67 109.54 3gnr s ASP 148 Ca 0.07 -0.22 0.29 0.00 -0.52 0.00 0.00 52.55 52.17 3gnr s ASP 148 Cb 0.10 -1.12 1.55 0.00 -1.46 0.00 0.00 42.92 41.99 3gnr s ASP 148 CO 0.52 0.29 1.96 -0.09 0.52 0.00 0.00 175.17 178.38 3gnr h ARG 149 N 5.77 0.00 -0.11 4.34 9.65 -1.87 -1.32 114.38 130.84 3gnr h ARG 149 Ca -0.40 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.51 3gnr h ARG 149 Cb 1.17 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3gnr h ARG 149 CO 0.52 0.00 0.11 0.37 2.80 0.00 0.00 179.97 183.78 3gnr h GLN 150 N 0.00 0.00 -0.38 0.20 5.75 -1.94 -1.16 115.11 117.57 3gnr h GLN 150 Ca 0.16 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.73 3gnr h GLN 150 Cb 0.92 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3gnr h GLN 150 CO -0.00 0.00 0.26 0.97 -2.65 0.00 0.00 178.83 177.41 3gnr h ILE 151 N 0.00 0.90 0.41 2.39 6.09 -1.47 -2.03 117.51 123.81 3gnr h ILE 151 Ca 0.05 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.46 3gnr h ILE 151 Cb 0.28 0.70 0.00 0.00 0.47 0.00 0.00 36.82 38.27 3gnr h ILE 151 CO -0.00 0.03 -0.20 0.58 -3.07 0.00 0.00 178.15 175.49 3gnr h VAL 152 N 0.18 0.59 -0.17 2.19 2.07 -1.42 0.23 116.25 119.93 3gnr h VAL 152 Ca 0.18 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 3gnr h VAL 152 Cb 0.46 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3gnr h VAL 152 CO -0.03 0.03 -0.40 0.44 0.02 0.00 0.00 177.57 177.64 3gnr h ASP 153 N -0.65 0.39 -0.22 0.57 3.32 -1.68 -1.55 116.42 116.60 3gnr h ASP 153 Ca -0.06 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 3gnr h ASP 153 Cb 0.48 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3gnr h ASP 153 CO 0.09 0.75 -0.14 0.44 -1.72 0.00 0.00 179.24 178.66 3gnr h ASP 154 N 0.31 0.50 0.01 6.45 3.32 -1.19 -1.37 116.42 124.46 3gnr h ASP 154 Ca 0.03 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3gnr h ASP 154 Cb 0.83 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3gnr h ASP 154 CO 0.07 0.82 -0.03 0.15 -1.72 0.00 0.00 179.24 178.53 3gnr h PHE 155 N 0.18 -0.09 -0.86 4.55 3.57 -0.53 -2.19 116.94 121.57 3gnr h PHE 155 Ca 0.05 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.64 3gnr h PHE 155 Cb 0.65 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 3gnr h PHE 155 CO 0.07 -0.06 0.56 0.00 -2.23 0.00 0.00 178.31 176.65 3gnr h ALA 156 N 0.92 1.65 -0.49 2.41 0.00 -1.19 0.18 119.26 122.74 3gnr h ALA 156 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3gnr h ALA 156 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gnr h ALA 156 CO -0.03 0.19 -0.18 0.00 0.00 0.00 0.00 179.25 179.22 3gnr h ALA 157 N 1.56 0.75 -0.17 0.00 0.00 -1.08 0.05 119.26 120.37 3gnr h ALA 157 Ca 0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gnr h ALA 157 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gnr h ALA 157 CO -0.16 0.67 0.08 -0.92 0.00 0.00 0.00 179.25 178.91 3gnr h TYR 158 N 0.85 0.25 -0.64 0.00 3.20 -0.73 -1.75 116.97 118.14 3gnr h TYR 158 Ca 0.12 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3gnr h TYR 158 Cb 0.75 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 3gnr h TYR 158 CO 0.05 0.29 0.32 0.00 -1.64 0.00 0.00 178.16 177.18 3gnr h ALA 159 N 0.93 0.85 -0.69 1.82 0.00 -0.46 -1.91 119.26 119.80 3gnr h ALA 159 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gnr h ALA 159 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3gnr h ALA 159 CO -0.01 -0.04 0.35 1.49 0.00 0.00 0.00 179.25 181.04 3gnr h GLU 160 N 0.58 0.99 -0.86 0.00 4.81 -0.78 0.50 114.58 119.81 3gnr h GLU 160 Ca 0.30 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3gnr h GLU 160 Cb 0.26 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3gnr h GLU 160 CO -0.22 0.76 0.56 1.15 -0.73 0.00 0.00 179.01 180.53 3gnr h THR 161 N 0.96 1.19 -0.36 0.32 2.02 -0.84 0.73 112.91 116.93 3gnr h THR 161 Ca 0.24 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3gnr h THR 161 Cb 0.08 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3gnr h THR 161 CO -0.03 0.21 0.11 0.00 0.37 0.00 0.00 175.52 176.17 3gnr h PHE 163 N 0.43 0.40 -0.35 0.00 0.04 -0.50 0.61 116.94 117.58 3gnr h PHE 163 Ca 0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 3gnr h PHE 163 Cb 0.26 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3gnr h PHE 163 CO 0.01 0.15 0.08 0.00 -0.60 0.00 0.00 178.31 177.96 3gnr h ARG 164 N 0.43 0.57 0.04 1.51 3.08 -0.61 -0.55 114.38 118.85 3gnr h ARG 164 Ca 0.25 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.94 3gnr h ARG 164 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3gnr h ARG 164 CO -0.23 0.62 -1.03 0.93 -1.07 0.00 0.00 179.97 179.19 3gnr h GLU 165 N 0.42 0.15 0.00 0.04 4.39 -0.76 -3.41 114.58 115.41 3gnr h GLU 165 Ca 0.11 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3gnr h GLU 165 Cb 0.31 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3gnr h GLU 165 CO 0.00 1.05 -0.13 1.19 -1.16 0.00 0.00 179.01 179.96 3gnr n PHE 166 N -3.52 0.00 0.58 4.33 3.72 0.19 -4.77 117.46 117.99 3gnr n PHE 166 Ca -0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 3gnr n PHE 166 Cb 0.92 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.88 3gnr n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gnr n GLY 167 N 1.01 -1.23 0.22 1.37 0.00 -0.21 -0.07 105.19 106.28 3gnr n GLY 167 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3gnr n GLY 167 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gnr h ASP 168 N 0.00 0.00 0.00 1.61 2.03 -1.86 -3.35 116.42 114.85 3gnr h ASP 168 Ca 0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 3gnr h ASP 168 Cb 0.37 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.84 3gnr h ASP 168 CO 0.00 0.25 -1.57 0.54 -1.03 0.00 0.00 179.24 177.43 3gnr n ARG 169 N -3.97 0.31 -2.74 4.15 1.74 -0.57 -4.98 116.66 110.60 3gnr n ARG 169 Ca -0.02 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 3gnr n ARG 169 Cb 0.33 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 3gnr n ARG 169 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gnr s VAL 170 N -2.20 4.75 -0.94 1.55 1.01 0.90 -4.90 120.40 120.57 3gnr s VAL 170 Ca -0.13 1.87 0.10 0.00 0.00 0.00 0.00 61.98 63.82 3gnr s VAL 170 Cb 0.03 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3gnr s VAL 170 CO 0.23 -0.12 0.65 0.29 0.00 0.00 0.00 175.10 176.16 3gnr n LYS 171 N 6.01 1.82 -3.78 2.72 4.76 -1.26 -4.48 118.16 123.94 3gnr n LYS 171 Ca 0.09 -0.68 -0.27 0.00 -2.87 0.00 0.00 58.31 54.59 3gnr n LYS 171 Cb 0.47 -1.09 -0.17 0.00 -1.84 0.00 0.00 35.03 32.40 3gnr n LYS 171 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3gnr s HIS 172 N -1.23 1.16 -0.05 2.13 3.76 -1.26 -0.72 115.29 119.08 3gnr s HIS 172 Ca 0.09 -0.83 0.06 0.00 -0.15 0.00 0.00 55.06 54.22 3gnr s HIS 172 Cb 0.08 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 3gnr s HIS 172 CO 0.22 -0.57 -0.23 -1.58 -0.85 0.00 0.00 174.74 171.73 3gnr s TRP 173 N 1.81 2.47 -0.28 1.40 0.52 -0.32 -1.36 118.94 123.19 3gnr s TRP 173 Ca 0.00 -0.52 -0.02 0.00 0.02 0.00 0.00 56.10 55.58 3gnr s TRP 173 Cb -0.16 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.61 3gnr s TRP 173 CO -0.07 -0.09 -0.02 0.42 0.02 0.00 0.00 176.95 177.21 3gnr s ILE 174 N -0.38 3.01 0.02 2.03 1.01 0.55 -0.63 121.20 126.80 3gnr s ILE 174 Ca 0.03 -1.17 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 3gnr s ILE 174 Cb -0.12 -2.63 -0.18 0.00 0.01 0.00 0.00 42.46 39.55 3gnr s ILE 174 CO 0.02 0.04 1.40 0.71 0.00 0.00 0.00 174.94 177.12 3gnr h THR 175 N 6.27 1.28 -3.95 2.92 1.35 -1.39 0.16 112.91 119.56 3gnr h THR 175 Ca -0.27 -0.86 -0.43 0.00 -0.55 0.00 0.00 66.41 64.30 3gnr h THR 175 Cb 1.09 1.81 -0.30 0.00 -1.73 0.00 0.00 68.15 69.02 3gnr h THR 175 CO 0.56 0.23 -0.79 -0.76 -0.25 0.00 0.00 175.52 174.51 3gnr s LEU 176 N -9.47 1.90 -0.32 3.87 1.43 -1.26 -1.03 118.68 113.80 3gnr s LEU 176 Ca -0.15 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 3gnr s LEU 176 Cb 0.03 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.65 3gnr s LEU 176 CO 0.68 0.10 0.23 0.21 0.23 0.00 0.00 176.35 177.80 3gnr s ASN 177 N -0.02 6.06 -1.07 2.29 3.84 -0.40 -1.59 114.94 124.04 3gnr s ASN 177 Ca 0.00 -0.27 -0.13 0.00 0.21 0.00 0.00 52.86 52.67 3gnr s ASN 177 Cb -0.07 -2.14 -0.03 0.00 -0.55 0.00 0.00 41.25 38.47 3gnr s ASN 177 CO 0.00 -0.18 0.83 -0.62 -2.79 0.00 0.00 177.10 174.34 3gnr n GLU 178 N 5.11 -1.62 0.18 0.43 1.02 0.27 -4.82 120.64 121.22 3gnr n GLU 178 Ca -0.13 0.69 0.08 0.00 -0.02 0.00 0.00 57.16 57.79 3gnr n GLU 178 Cb 0.50 -4.82 0.60 0.00 -0.02 0.00 0.00 31.44 27.70 3gnr n GLU 178 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gnr h PRO 179 N -1.38 0.11 0.14 3.49 0.13 -1.86 -1.78 132.00 130.85 3gnr h PRO 179 Ca -0.60 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 3gnr h PRO 179 Cb 1.32 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3gnr h PRO 179 CO 0.45 0.07 -0.07 1.25 -0.23 0.00 0.00 178.00 179.48 3gnr h HIS 180 N 0.12 -0.18 -0.30 1.56 -0.00 -1.90 -0.13 115.15 114.32 3gnr h HIS 180 Ca 0.05 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 3gnr h HIS 180 Cb 0.07 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 3gnr h HIS 180 CO -0.00 -0.10 -0.03 1.15 -0.00 0.00 0.00 177.93 178.95 3gnr h THR 181 N -0.20 0.75 0.10 6.26 2.02 -1.79 -1.67 112.91 118.38 3gnr h THR 181 Ca -0.02 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.15 3gnr h THR 181 Cb 0.15 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3gnr h THR 181 CO 0.03 0.01 -0.13 0.58 0.37 0.00 0.00 175.52 176.38 3gnr h VAL 182 N 0.06 0.70 -0.70 3.16 2.07 -1.20 0.20 116.25 120.53 3gnr h VAL 182 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3gnr h VAL 182 Cb 0.20 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3gnr h VAL 182 CO -0.26 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.73 3gnr h ALA 183 N 0.59 0.95 0.00 1.67 0.00 -0.81 0.14 119.26 121.80 3gnr h ALA 183 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gnr h ALA 183 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gnr h ALA 183 CO -0.06 0.08 -0.00 0.82 0.00 0.00 0.00 179.25 180.10 3gnr h ILE 184 N 0.73 0.76 -0.05 0.00 1.08 -1.16 -2.84 117.51 116.02 3gnr h ILE 184 Ca 0.32 -1.57 -0.09 0.00 -0.39 0.00 0.00 64.86 63.12 3gnr h ILE 184 Cb 0.20 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 3gnr h ILE 184 CO -0.19 0.26 -0.40 1.56 -0.69 0.00 0.00 178.15 178.69 3gnr h GLN 185 N -1.00 0.11 0.00 2.37 1.08 -0.65 0.10 115.11 117.12 3gnr h GLN 185 Ca -0.00 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 3gnr h GLN 185 Cb 0.42 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3gnr h GLN 185 CO 0.00 0.50 -0.99 0.78 -0.95 0.00 0.00 178.83 178.17 3gnr h GLY 186 N 1.22 0.00 0.00 3.46 0.00 -0.84 0.13 103.07 107.04 3gnr h GLY 186 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gnr h GLY 186 CO 0.06 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.88 3gnr n TYR 187 N -2.98 0.00 0.01 5.60 4.01 -1.07 -1.10 117.16 121.62 3gnr n TYR 187 Ca -0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.68 3gnr n TYR 187 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.77 3gnr n TYR 187 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3gnr n ASP 188 N -0.13 1.30 0.15 7.72 -0.08 0.03 -3.92 116.55 121.62 3gnr n ASP 188 Ca 0.00 0.19 0.03 0.00 -1.51 0.00 0.00 54.79 53.50 3gnr n ASP 188 Cb 0.07 -0.44 0.10 0.00 2.34 0.00 0.00 41.12 43.20 3gnr n ASP 188 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gnr h ALA 189 N -0.27 0.74 -3.73 -1.67 0.00 -1.09 -3.41 119.26 109.83 3gnr h ALA 189 Ca -0.01 -0.42 -0.38 0.00 0.00 0.00 0.00 54.91 54.10 3gnr h ALA 189 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gnr h ALA 189 CO -0.01 0.58 -0.51 0.41 0.00 0.00 0.00 179.25 179.72 3gnr n GLY 190 N 1.01 -0.51 0.03 0.00 0.00 -0.75 -4.89 105.19 100.08 3gnr n GLY 190 Ca 0.02 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3gnr n GLY 190 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnr n LEU 191 N -3.30 0.61 -4.35 0.99 4.77 0.36 -4.52 117.00 111.57 3gnr n LEU 191 Ca -0.18 -0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.54 3gnr n LEU 191 Cb 0.65 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 3gnr n LEU 191 CO 0.33 0.07 -0.39 -1.10 -1.33 0.00 0.00 177.39 174.97 3gnr s GLN 192 N -3.19 1.35 0.39 3.23 -0.21 -0.71 -4.79 119.66 115.73 3gnr s GLN 192 Ca 0.04 -1.64 -0.27 0.00 0.02 0.00 0.00 55.36 53.50 3gnr s GLN 192 Cb 0.15 -0.93 -0.11 0.00 1.00 0.00 0.00 33.01 33.12 3gnr s GLN 192 CO 0.81 0.06 1.46 0.00 -2.12 0.00 0.00 175.29 175.51 3gnr n ALA 193 N -0.41 2.24 1.11 6.09 0.00 -1.26 -0.50 120.51 127.78 3gnr n ALA 193 Ca -0.07 0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.73 3gnr n ALA 193 Cb 0.62 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.78 3gnr n ALA 193 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gnr n PRO 194 N 0.32 1.66 -1.35 0.00 -0.04 -1.26 -4.59 135.00 129.74 3gnr n PRO 194 Ca 0.02 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 3gnr n PRO 194 Cb 0.39 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3gnr n PRO 194 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gnr n GLY 195 N 0.84 0.90 3.57 0.55 0.00 0.35 -5.03 105.19 106.37 3gnr n GLY 195 Ca 0.09 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3gnr n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gnr s ARG 196 N -3.03 2.26 0.03 1.61 0.52 -0.26 -4.45 118.95 115.64 3gnr s ARG 196 Ca 0.00 -0.92 -0.28 0.00 -0.52 0.00 0.00 55.73 54.01 3gnr s ARG 196 Cb 0.00 -2.35 0.10 0.00 0.52 0.00 0.00 34.95 33.22 3gnr s ARG 196 CO 0.00 0.54 1.22 0.00 0.02 0.00 0.00 175.30 177.08 3gnr s SER 198 N -3.25 6.19 0.55 0.00 0.01 -1.26 -2.54 113.70 113.40 3gnr s SER 198 Ca 0.19 1.38 0.24 0.00 1.31 0.00 0.00 55.95 59.06 3gnr s SER 198 Cb 0.02 -2.53 1.47 0.00 0.21 0.00 0.00 66.02 65.19 3gnr s SER 198 CO -0.01 -1.46 2.10 1.62 0.41 0.00 0.00 173.24 175.90 3gnr h VAL 199 N 6.45 0.73 0.00 3.43 3.04 -1.82 0.20 116.25 128.28 3gnr h VAL 199 Ca -0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.34 3gnr h VAL 199 Cb 1.15 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3gnr h VAL 199 CO 1.03 0.00 -0.12 -0.07 -1.01 0.00 0.00 177.57 177.39 3gnr h LEU 200 N 0.00 0.00 0.10 3.16 3.38 -1.96 -2.99 115.31 116.99 3gnr h LEU 200 Ca 0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 3gnr h LEU 200 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3gnr h LEU 200 CO -0.00 0.12 -1.98 0.18 0.09 0.00 0.00 178.44 176.86 3gnr n LEU 201 N -3.48 2.34 -3.61 1.67 4.77 0.56 -4.86 117.00 114.39 3gnr n LEU 201 Ca -0.01 0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.93 3gnr n LEU 201 Cb 0.28 -0.89 -0.17 0.00 -2.33 0.00 0.00 43.42 40.31 3gnr n LEU 201 CO 0.30 0.78 -0.33 -1.00 -1.33 0.00 0.00 177.39 175.81 3gnr s HIS 202 N -2.56 0.29 0.48 -1.77 3.76 -0.45 -5.03 115.29 110.01 3gnr s HIS 202 Ca -0.20 -0.43 0.39 0.00 -0.15 0.00 0.00 55.06 54.67 3gnr s HIS 202 Cb 0.07 -0.75 2.00 0.00 1.11 0.00 0.00 32.58 35.01 3gnr s HIS 202 CO 0.77 -0.56 2.23 -0.07 -0.85 0.00 0.00 174.74 176.27 3gnr h LEU 203 N 8.40 0.00 -0.94 0.89 3.38 -1.83 -2.64 115.31 122.56 3gnr h LEU 203 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3gnr h LEU 203 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gnr h LEU 203 CO 0.31 0.01 -0.08 0.10 0.09 0.00 0.00 178.44 178.87 3gnr h TYR 204 N 0.00 0.00 -3.94 1.13 -0.00 -1.96 -3.45 116.97 108.76 3gnr h TYR 204 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.73 58.23 3gnr h TYR 204 Cb 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 36.73 36.95 3gnr h TYR 204 CO 0.00 0.08 0.48 0.00 -0.00 0.00 0.00 178.16 178.73 3gnr h LYS 206 N 2.69 0.00 -2.49 0.00 3.64 -1.87 -3.44 116.57 115.09 3gnr h LYS 206 Ca -0.48 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.02 3gnr h LYS 206 Cb 1.23 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 3gnr h LYS 206 CO 0.63 0.49 0.42 0.00 -2.27 0.00 0.00 179.45 178.71 3gnr s ALA 207 N -2.76 -1.62 0.00 5.00 0.00 -1.26 -5.03 121.76 116.09 3gnr s ALA 207 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3gnr s ALA 207 Cb 0.08 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.85 3gnr s ALA 207 CO 0.81 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3gnr n GLY 208 N -0.41 0.89 3.09 0.00 0.00 -1.05 -1.32 105.19 106.39 3gnr n GLY 208 Ca -0.07 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.92 3gnr n GLY 208 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gnr s ASN 209 N -1.94 -1.01 0.42 1.61 3.84 -1.23 -4.09 114.94 112.54 3gnr s ASN 209 Ca 0.00 0.45 0.29 0.00 0.21 0.00 0.00 52.86 53.82 3gnr s ASN 209 Cb 0.00 1.85 1.24 0.00 -0.55 0.00 0.00 41.25 43.79 3gnr s ASN 209 CO 0.00 -0.29 1.87 0.28 -2.79 0.00 0.00 177.10 176.18 3gnr h SER 210 N 8.05 0.00 0.95 -4.21 0.02 -1.79 -0.98 113.55 115.59 3gnr h SER 210 Ca -0.15 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.66 3gnr h SER 210 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3gnr h SER 210 CO 0.23 0.00 -1.13 1.23 -1.14 0.00 0.00 176.83 176.03 3gnr h GLY 211 N 2.01 0.00 0.00 -3.77 0.00 -1.79 -3.35 103.07 96.17 3gnr h GLY 211 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3gnr h GLY 211 CO 0.00 0.00 -1.17 -1.30 0.00 0.00 0.00 176.54 174.07 3gnr n THR 212 N -2.97 0.17 -0.25 4.70 -2.24 -1.09 -4.80 114.28 107.80 3gnr n THR 212 Ca -0.06 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 3gnr n THR 212 Cb 0.79 -0.87 0.05 0.00 -2.10 0.00 0.00 70.33 68.19 3gnr n THR 212 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3gnr h GLU 213 N -0.03 1.14 -0.72 -0.78 5.08 -1.45 -2.48 114.58 115.34 3gnr h GLU 213 Ca -0.07 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3gnr h GLU 213 Cb 1.09 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3gnr h GLU 213 CO -0.02 1.01 0.48 -1.35 -1.00 0.00 0.00 179.01 178.13 3gnr h PRO 214 N 1.07 0.75 -0.09 2.33 0.11 -1.76 -1.01 132.00 133.39 3gnr h PRO 214 Ca 0.22 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.10 3gnr h PRO 214 Cb 0.40 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3gnr h PRO 214 CO 0.01 0.50 -0.72 1.88 -0.21 0.00 0.00 178.00 179.45 3gnr h TYR 215 N 0.77 0.61 -0.02 0.65 0.05 -1.76 -1.34 116.97 115.93 3gnr h TYR 215 Ca 0.31 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3gnr h TYR 215 Cb 0.23 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 3gnr h TYR 215 CO -0.00 1.03 0.00 0.28 -1.05 0.00 0.00 178.16 178.42 3gnr h VAL 216 N 0.31 1.18 -0.30 -2.88 2.07 -1.11 -1.93 116.25 113.60 3gnr h VAL 216 Ca -0.03 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3gnr h VAL 216 Cb 1.29 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3gnr h VAL 216 CO 0.13 0.14 0.10 0.58 0.02 0.00 0.00 177.57 178.54 3gnr h VAL 217 N -0.19 0.91 -0.58 2.57 2.07 -1.20 -1.40 116.25 118.43 3gnr h VAL 217 Ca 0.01 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3gnr h VAL 217 Cb 0.23 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3gnr h VAL 217 CO 0.00 0.04 0.31 0.00 0.02 0.00 0.00 177.57 177.94 3gnr h ALA 218 N 1.19 0.76 -0.59 1.67 0.00 -1.23 0.36 119.26 121.43 3gnr h ALA 218 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gnr h ALA 218 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3gnr h ALA 218 CO -0.14 -0.02 0.36 1.25 0.00 0.00 0.00 179.25 180.70 3gnr h HIS 219 N 0.59 0.77 -0.56 0.00 2.76 -1.00 -1.38 115.15 116.33 3gnr h HIS 219 Ca 0.26 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.32 3gnr h HIS 219 Cb 0.15 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3gnr h HIS 219 CO -0.09 0.52 -0.06 0.45 -1.30 0.00 0.00 177.93 177.45 3gnr h HIS 220 N 0.80 1.14 -0.52 5.26 3.86 -0.73 -1.21 115.15 123.75 3gnr h HIS 220 Ca 0.21 -0.22 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3gnr h HIS 220 Cb -0.03 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 28.08 3gnr h HIS 220 CO -0.02 1.04 0.12 0.74 0.86 0.00 0.00 177.93 180.66 3gnr h PHE 221 N 0.92 0.20 -0.20 2.45 0.05 -0.64 0.13 116.94 119.84 3gnr h PHE 221 Ca 0.15 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.97 3gnr h PHE 221 Cb 0.62 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 3gnr h PHE 221 CO 0.04 0.01 0.10 0.82 -0.18 0.00 0.00 178.31 179.10 3gnr h ILE 222 N 0.26 1.13 -0.44 -0.55 2.04 -0.80 -0.49 117.51 118.66 3gnr h ILE 222 Ca 0.26 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3gnr h ILE 222 Cb 0.35 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3gnr h ILE 222 CO -0.33 0.12 -0.03 -0.07 0.00 0.00 0.00 178.15 177.84 3gnr h LEU 223 N 0.20 0.72 -0.27 1.44 3.38 -1.02 -1.82 115.31 117.93 3gnr h LEU 223 Ca 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gnr h LEU 223 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3gnr h LEU 223 CO -0.01 0.81 0.13 0.00 0.09 0.00 0.00 178.44 179.45 3gnr h ALA 224 N 1.27 0.35 -0.16 1.53 0.00 -0.45 0.10 119.26 121.90 3gnr h ALA 224 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gnr h ALA 224 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gnr h ALA 224 CO 0.02 -0.08 0.01 1.25 0.00 0.00 0.00 179.25 180.45 3gnr h HIS 225 N 0.30 0.01 -0.96 0.00 -0.00 -0.90 -1.70 115.15 111.89 3gnr h HIS 225 Ca 0.09 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 3gnr h HIS 225 Cb 0.13 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 3gnr h HIS 225 CO -0.02 -0.01 0.63 0.00 -0.00 0.00 0.00 177.93 178.53 3gnr h ALA 226 N 1.13 1.27 -0.41 5.26 0.00 -1.02 0.27 119.26 125.76 3gnr h ALA 226 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3gnr h ALA 226 Cb 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3gnr h ALA 226 CO -0.12 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.55 3gnr h ALA 227 N 1.39 0.56 -0.63 0.00 0.00 -0.59 -0.22 119.26 119.78 3gnr h ALA 227 Ca 0.38 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gnr h ALA 227 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3gnr h ALA 227 CO -0.12 0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.79 3gnr h ALA 228 N 0.84 0.82 -0.64 0.00 0.00 -0.76 -2.51 119.26 117.01 3gnr h ALA 228 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3gnr h ALA 228 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3gnr h ALA 228 CO 0.04 0.47 0.15 0.00 0.00 0.00 0.00 179.25 179.91 3gnr h ALA 229 N 1.08 1.05 -0.41 0.00 0.00 -0.26 -0.46 119.26 120.26 3gnr h ALA 229 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gnr h ALA 229 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gnr h ALA 229 CO -0.01 0.62 0.18 0.77 0.00 0.00 0.00 179.25 180.82 3gnr h SER 230 N 0.97 0.54 -0.23 0.00 0.02 -0.93 -0.15 113.55 113.77 3gnr h SER 230 Ca 0.20 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3gnr h SER 230 Cb 0.35 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3gnr h SER 230 CO 0.00 0.54 0.15 0.40 -1.14 0.00 0.00 176.83 176.78 3gnr h ILE 231 N 0.52 1.06 -0.16 3.27 2.04 -1.25 -1.05 117.51 121.94 3gnr h ILE 231 Ca 0.14 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3gnr h ILE 231 Cb 0.15 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3gnr h ILE 231 CO -0.02 0.06 -0.06 0.22 0.00 0.00 0.00 178.15 178.36 3gnr h TYR 232 N 0.30 -0.14 -0.43 1.37 3.20 -0.81 -1.40 116.97 119.07 3gnr h TYR 232 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3gnr h TYR 232 Cb -0.03 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3gnr h TYR 232 CO -0.06 -0.10 0.08 0.00 -1.64 0.00 0.00 178.16 176.45 3gnr h ARG 233 N -0.03 0.71 -0.06 1.82 3.08 -0.92 0.20 114.38 119.18 3gnr h ARG 233 Ca 0.09 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 3gnr h ARG 233 Cb 0.16 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gnr h ARG 233 CO -0.19 0.73 -0.77 1.79 -1.07 0.00 0.00 179.97 180.46 3gnr h THR 234 N 0.57 1.39 0.00 2.04 1.35 -1.13 -3.39 112.91 113.74 3gnr h THR 234 Ca 0.13 -2.22 -0.10 0.00 -0.55 0.00 0.00 66.41 63.68 3gnr h THR 234 Cb 0.35 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 3gnr h THR 234 CO 0.01 0.66 -1.42 0.29 -0.25 0.00 0.00 175.52 174.82 3gnr n LYS 235 N -3.81 2.65 -0.00 4.72 5.02 -0.53 -4.91 118.16 121.28 3gnr n LYS 235 Ca -0.05 -0.01 -0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3gnr n LYS 235 Cb 0.73 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 34.58 3gnr n LYS 235 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gnr n TYR 236 N -2.17 0.00 -0.30 2.13 4.01 -0.18 -4.82 117.16 115.83 3gnr n TYR 236 Ca -0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.60 3gnr n TYR 236 Cb 0.64 -0.04 0.07 0.00 -0.31 0.00 0.00 39.34 39.71 3gnr n TYR 236 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gnr h LYS 237 N 0.00 1.12 -0.76 -0.72 3.64 -0.90 0.26 116.57 119.21 3gnr h LYS 237 Ca -0.02 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3gnr h LYS 237 Cb 1.04 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 3gnr h LYS 237 CO -0.00 0.83 0.49 0.00 -2.27 0.00 0.00 179.45 178.50 3gnr h ALA 238 N 1.23 0.97 0.07 5.00 0.00 -1.83 0.26 119.26 124.95 3gnr h ALA 238 Ca 0.28 -0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 3gnr h ALA 238 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3gnr h ALA 238 CO -0.05 0.40 -1.69 1.79 0.00 0.00 0.00 179.25 179.71 3gnr h THR 239 N 1.03 0.93 0.00 0.00 1.35 -1.79 -3.38 112.91 111.05 3gnr h THR 239 Ca 0.28 -2.68 -0.22 0.00 -0.55 0.00 0.00 66.41 63.23 3gnr h THR 239 Cb -0.09 2.57 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 3gnr h THR 239 CO -0.06 0.71 -1.26 1.56 -0.25 0.00 0.00 175.52 176.23 3gnr h GLN 240 N 0.04 0.00 -6.12 4.72 4.20 -0.45 -3.49 115.11 114.01 3gnr h GLN 240 Ca -0.29 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 57.98 3gnr h GLN 240 Cb 2.01 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.82 3gnr h GLN 240 CO 0.11 0.66 -0.76 0.09 -0.67 0.00 0.00 178.83 178.26 3gnr n ASN 241 N -3.16 -4.09 -1.30 1.46 3.02 0.91 -4.95 115.26 107.14 3gnr n ASN 241 Ca -0.07 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3gnr n ASN 241 Cb 0.94 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 3gnr n ASN 241 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gnr n GLY 242 N -1.70 3.21 3.14 7.41 0.00 -1.26 -5.00 105.19 110.99 3gnr n GLY 242 Ca -0.07 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 3gnr n GLY 242 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gnr s GLN 243 N -0.51 0.63 -0.05 1.61 -2.07 0.11 -4.98 119.66 114.39 3gnr s GLN 243 Ca 0.00 -0.70 0.05 0.00 -1.82 0.00 0.00 55.36 52.89 3gnr s GLN 243 Cb 0.00 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 3gnr s GLN 243 CO 0.00 -0.17 -0.21 -0.51 -1.32 0.00 0.00 175.29 173.09 3gnr s LEU 244 N -2.10 1.98 0.00 2.60 1.02 -1.26 -1.18 118.68 119.74 3gnr s LEU 244 Ca -0.05 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.67 3gnr s LEU 244 Cb -0.01 -1.16 0.00 0.00 0.02 0.00 0.00 46.19 45.04 3gnr s LEU 244 CO -0.04 0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.12 3gnr n GLY 245 N 3.12 4.07 3.03 -3.19 0.00 0.19 -0.06 105.19 112.36 3gnr n GLY 245 Ca -0.18 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 3gnr n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gnr s ILE 246 N -1.96 0.39 -0.36 -0.61 1.01 -1.25 -1.13 121.20 117.28 3gnr s ILE 246 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 3gnr s ILE 246 Cb 0.00 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.99 3gnr s ILE 246 CO 0.00 -0.43 0.21 0.00 0.00 0.00 0.00 174.94 174.72 3gnr s ALA 247 N -1.43 3.32 -0.16 9.38 0.00 -0.62 -0.48 121.76 131.76 3gnr s ALA 247 Ca -0.12 -1.61 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 3gnr s ALA 247 Cb -0.10 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 3gnr s ALA 247 CO -0.00 -1.24 0.26 -0.06 0.00 0.00 0.00 175.76 174.72 3gnr s PHE 248 N 1.60 3.46 -0.05 0.00 0.08 0.38 0.96 117.98 124.41 3gnr s PHE 248 Ca 0.03 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.34 3gnr s PHE 248 Cb -0.18 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 3gnr s PHE 248 CO 0.07 0.27 1.24 0.16 -0.10 0.00 0.00 175.22 176.87 3gnr s ASP 249 N 0.37 7.01 -0.21 1.36 -4.77 -1.26 -0.46 116.67 118.70 3gnr s ASP 249 Ca 0.15 1.87 -0.04 0.00 -3.30 0.00 0.00 52.55 51.23 3gnr s ASP 249 Cb -0.13 -2.56 0.08 0.00 -1.09 0.00 0.00 42.92 39.23 3gnr s ASP 249 CO 0.03 -0.62 0.15 -0.69 0.70 0.00 0.00 175.17 174.74 3gnr s VAL 250 N 2.28 -0.17 0.34 2.11 1.01 -0.10 -4.74 120.40 121.12 3gnr s VAL 250 Ca 0.57 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 3gnr s VAL 250 Cb -0.26 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3gnr s VAL 250 CO 0.23 -0.37 1.01 -0.04 0.00 0.00 0.00 175.10 175.93 3gnr s MET 251 N 2.20 4.46 0.33 2.72 -1.94 -1.26 -4.37 119.30 121.44 3gnr s MET 251 Ca 0.05 1.49 -0.24 0.00 -1.71 0.00 0.00 55.69 55.28 3gnr s MET 251 Cb -0.16 -2.81 -0.10 0.00 2.01 0.00 0.00 34.83 33.78 3gnr s MET 251 CO -0.17 0.13 0.92 -0.46 -0.01 0.00 0.00 175.02 175.43 3gnr s TRP 252 N -1.52 3.62 -0.10 -0.03 -0.11 -0.58 -4.96 118.94 115.25 3gnr s TRP 252 Ca 0.51 1.71 0.03 0.00 1.22 0.00 0.00 56.10 59.56 3gnr s TRP 252 Cb -0.23 -2.87 0.01 0.00 -1.50 0.00 0.00 33.47 28.88 3gnr s TRP 252 CO 0.29 0.17 -0.18 -0.06 -4.62 0.00 0.00 176.95 172.55 3gnr s PHE 253 N -1.71 2.14 0.08 5.86 0.08 -1.26 -1.34 117.98 121.84 3gnr s PHE 253 Ca 0.51 -0.95 0.06 0.00 0.12 0.00 0.00 56.93 56.68 3gnr s PHE 253 Cb -0.17 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3gnr s PHE 253 CO 0.22 -0.44 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.61 3gnr s GLU 254 N 0.71 2.30 0.30 0.44 2.02 -0.21 -4.85 118.70 119.42 3gnr s GLU 254 Ca -0.12 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.66 3gnr s GLU 254 Cb -0.16 -2.40 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 3gnr s GLU 254 CO 0.02 0.53 1.36 -1.25 0.02 0.00 0.00 175.26 175.94 3gnr s PRO 255 N -2.10 4.31 0.54 0.39 0.04 -1.26 -0.23 135.00 136.70 3gnr s PRO 255 Ca 0.22 2.26 0.32 0.00 0.04 0.00 0.00 61.00 63.84 3gnr s PRO 255 Cb -0.11 -3.08 1.45 0.00 0.04 0.00 0.00 34.50 32.79 3gnr s PRO 255 CO 0.14 -0.28 2.02 1.98 0.04 0.00 0.00 177.00 180.90 3gnr h MET 256 N 3.92 0.00 -4.01 4.56 4.05 -0.90 -3.43 114.93 119.12 3gnr h MET 256 Ca -0.48 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 58.83 3gnr h MET 256 Cb 1.22 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.88 3gnr h MET 256 CO 0.69 0.06 -0.50 -1.54 0.23 0.00 0.00 176.91 175.86 3gnr s SER 257 N -5.79 0.26 -1.37 1.39 1.04 -1.26 -4.99 113.70 102.97 3gnr s SER 257 Ca -0.00 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 3gnr s SER 257 Cb 0.10 0.29 0.09 0.00 0.10 0.00 0.00 66.02 66.61 3gnr s SER 257 CO 0.55 -0.70 2.26 -3.20 0.98 0.00 0.00 173.24 173.13 3gnr n ASN 258 N -0.01 6.40 -4.18 7.02 4.05 -1.26 -4.44 115.26 122.83 3gnr n ASN 258 Ca -0.13 -3.00 -0.19 0.00 0.45 0.00 0.00 54.58 51.71 3gnr n ASN 258 Cb 0.62 -1.48 -0.12 0.00 1.23 0.00 0.00 39.78 40.03 3gnr n ASN 258 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3gnr s THR 259 N 0.59 1.17 0.40 -0.44 -4.23 -1.26 -5.04 115.64 106.82 3gnr s THR 259 Ca 0.50 -1.28 0.09 0.00 -1.18 0.00 0.00 61.69 59.82 3gnr s THR 259 Cb 0.14 -1.10 0.20 0.00 1.34 0.00 0.00 72.50 73.08 3gnr s THR 259 CO -0.05 -0.17 1.97 0.71 -0.54 0.00 0.00 174.62 176.54 3gnr h THR 260 N 4.31 1.14 -0.56 3.99 1.35 -1.99 -0.12 112.91 121.03 3gnr h THR 260 Ca -0.41 -0.53 0.02 0.00 -0.55 0.00 0.00 66.41 64.94 3gnr h THR 260 Cb 1.19 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 3gnr h THR 260 CO 0.41 0.18 0.35 0.40 -0.25 0.00 0.00 175.52 176.61 3gnr h ILE 261 N 0.35 1.09 0.02 6.82 1.08 -1.96 -0.02 117.51 124.88 3gnr h ILE 261 Ca 0.08 -0.24 -0.21 0.00 -0.39 0.00 0.00 64.86 64.10 3gnr h ILE 261 Cb 0.20 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3gnr h ILE 261 CO 0.00 0.13 -0.94 0.44 -0.69 0.00 0.00 178.15 177.09 3gnr h ASP 262 N 0.70 0.25 -0.26 1.72 3.32 -1.74 -1.22 116.42 119.21 3gnr h ASP 262 Ca 0.22 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gnr h ASP 262 Cb -0.01 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3gnr h ASP 262 CO -0.08 1.06 0.15 0.40 -1.72 0.00 0.00 179.24 179.05 3gnr h ILE 263 N 0.09 1.10 -0.66 0.35 2.04 -0.79 -1.03 117.51 118.61 3gnr h ILE 263 Ca -0.05 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3gnr h ILE 263 Cb 1.59 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3gnr h ILE 263 CO 0.14 0.10 0.27 -0.33 0.00 0.00 0.00 178.15 178.33 3gnr h GLU 264 N 0.32 0.97 -0.62 2.37 4.39 -1.00 -2.40 114.58 118.60 3gnr h GLU 264 Ca 0.09 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3gnr h GLU 264 Cb 0.02 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 3gnr h GLU 264 CO -0.02 0.79 0.26 0.00 -1.16 0.00 0.00 179.01 178.88 3gnr h ALA 265 N 1.34 0.81 -0.67 3.43 0.00 -0.97 0.77 119.26 123.97 3gnr h ALA 265 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gnr h ALA 265 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3gnr h ALA 265 CO -0.02 0.42 0.35 0.00 0.00 0.00 0.00 179.25 179.99 3gnr h ALA 266 N 1.10 0.87 -0.64 0.00 0.00 -0.95 0.12 119.26 119.76 3gnr h ALA 266 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gnr h ALA 266 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3gnr h ALA 266 CO -0.02 0.41 0.29 0.87 0.00 0.00 0.00 179.25 180.80 3gnr h LYS 267 N 0.93 0.93 -0.59 0.00 1.57 -1.10 -2.16 116.57 116.15 3gnr h LYS 267 Ca 0.23 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3gnr h LYS 267 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3gnr h LYS 267 CO -0.03 0.76 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.49 3gnr h ARG 268 N 0.89 1.07 -0.85 3.15 2.43 -0.38 -1.65 114.38 119.04 3gnr h ARG 268 Ca 0.22 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3gnr h ARG 268 Cb 0.15 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3gnr h ARG 268 CO -0.02 1.06 0.50 0.00 -1.51 0.00 0.00 179.97 180.00 3gnr h ALA 269 N 0.97 1.29 -0.65 2.80 0.00 -0.62 -0.58 119.26 122.47 3gnr h ALA 269 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gnr h ALA 269 Cb 0.60 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3gnr h ALA 269 CO 0.04 0.60 0.22 0.37 0.00 0.00 0.00 179.25 180.48 3gnr h GLN 270 N 1.17 1.00 -0.26 0.00 5.75 -0.99 -2.15 115.11 119.62 3gnr h GLN 270 Ca 0.30 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3gnr h GLN 270 Cb -0.04 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 3gnr h GLN 270 CO -0.06 0.87 -0.19 0.93 -2.65 0.00 0.00 178.83 177.73 3gnr h GLU 271 N 0.94 0.47 0.00 1.69 5.08 -0.47 0.81 114.58 123.10 3gnr h GLU 271 Ca 0.21 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gnr h GLU 271 Cb 0.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3gnr h GLU 271 CO -0.01 0.65 0.00 0.74 -1.00 0.00 0.00 179.01 179.39 3gnr h PHE 272 N 0.43 0.00 0.00 4.33 -1.00 -0.96 0.21 116.94 119.95 3gnr h PHE 272 Ca 0.07 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 3gnr h PHE 272 Cb 0.58 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 3gnr h PHE 272 CO 0.02 0.00 -0.87 0.94 -1.61 0.00 0.00 178.31 176.79 3gnr n GLN 273 N -2.89 0.51 -0.06 1.51 7.27 -0.83 -4.44 117.38 118.45 3gnr n GLN 273 Ca 0.03 0.30 -0.21 0.00 0.07 0.00 0.00 57.00 57.19 3gnr n GLN 273 Cb 0.40 -1.51 -0.12 0.00 2.41 0.00 0.00 30.24 31.42 3gnr n GLN 273 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3gnr h LEU 274 N -1.00 0.13 -1.57 1.69 5.85 -1.04 -3.40 115.31 115.97 3gnr h LEU 274 Ca -0.01 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.05 3gnr h LEU 274 Cb 0.86 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3gnr h LEU 274 CO -0.00 1.53 0.30 1.23 -0.34 0.00 0.00 178.44 181.16 3gnr h GLY 275 N -0.49 0.62 -0.51 3.75 0.00 -1.19 0.56 103.07 105.80 3gnr h GLY 275 Ca -0.32 -0.23 0.32 0.00 0.00 0.00 0.00 47.33 47.10 3gnr h GLY 275 CO -0.10 0.22 0.58 -0.25 0.00 0.00 0.00 176.54 176.98 3gnr h TRP 276 N 0.58 0.93 0.00 5.60 7.01 -0.79 0.62 115.95 129.90 3gnr h TRP 276 Ca 0.17 0.04 -0.39 0.00 2.11 0.00 0.00 58.89 60.82 3gnr h TRP 276 Cb -0.02 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 26.73 3gnr h TRP 276 CO -0.00 -0.16 -2.37 1.19 -2.79 0.00 0.00 178.44 174.31 3gnr n PHE 277 N -5.04 0.00 0.08 2.65 3.72 -0.67 -4.55 117.46 113.65 3gnr n PHE 277 Ca 0.32 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.67 3gnr n PHE 277 Cb 0.98 -0.90 0.12 0.00 -0.94 0.00 0.00 39.48 38.74 3gnr n PHE 277 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gnr h ALA 278 N -0.46 0.85 -0.31 4.37 0.00 -0.78 -2.85 119.26 120.08 3gnr h ALA 278 Ca -0.58 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 3gnr h ALA 278 Cb 1.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3gnr h ALA 278 CO -0.24 0.72 0.15 -0.44 0.00 0.00 0.00 179.25 179.44 3gnr h ASP 279 N 0.19 0.40 -0.66 0.00 5.19 -1.08 -0.06 116.42 120.39 3gnr h ASP 279 Ca -0.01 -0.13 0.11 0.00 -0.62 0.00 0.00 57.03 56.38 3gnr h ASP 279 Cb 1.10 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 40.43 3gnr h ASP 279 CO 0.09 0.42 0.25 -0.65 -3.12 0.00 0.00 179.24 176.23 3gnr h PRO 280 N 0.36 0.41 0.00 3.56 0.11 -1.22 0.58 132.00 135.80 3gnr h PRO 280 Ca 0.10 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3gnr h PRO 280 Cb 0.12 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 3gnr h PRO 280 CO -0.01 0.27 -0.10 0.74 -0.21 0.00 0.00 178.00 178.69 3gnr h PHE 281 N 0.42 0.00 0.00 0.65 0.04 -1.18 -0.41 116.94 116.46 3gnr h PHE 281 Ca 0.34 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.82 3gnr h PHE 281 Cb 0.45 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.54 3gnr h PHE 281 CO -0.17 0.10 -2.10 1.19 -0.60 0.00 0.00 178.31 176.73 3gnr n PHE 282 N -3.22 0.00 0.00 -0.55 3.01 -0.09 -0.01 117.46 116.60 3gnr n PHE 282 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3gnr n PHE 282 Cb 0.38 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 3gnr n PHE 282 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3gnr n PHE 283 N -2.70 0.00 -0.62 1.38 0.99 0.20 -4.67 117.46 112.04 3gnr n PHE 283 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.17 3gnr n PHE 283 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.46 3gnr n PHE 283 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gnr n GLY 284 N 1.13 0.71 3.53 1.37 0.00 -0.16 -4.97 105.19 106.80 3gnr n GLY 284 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3gnr n GLY 284 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gnr s ASP 285 N -2.20 -0.28 0.81 1.61 -1.08 -1.25 -4.75 116.67 109.53 3gnr s ASP 285 Ca 0.00 -0.46 -0.12 0.00 -0.52 0.00 0.00 52.55 51.45 3gnr s ASP 285 Cb 0.00 0.59 0.08 0.00 -1.46 0.00 0.00 42.92 42.13 3gnr s ASP 285 CO 0.00 -1.06 1.14 -0.31 0.52 0.00 0.00 175.17 175.46 3gnr s TYR 286 N -3.87 2.08 0.44 -5.34 2.02 -1.26 -1.51 117.35 109.91 3gnr s TYR 286 Ca 0.09 1.66 -0.25 0.00 -0.37 0.00 0.00 57.07 58.20 3gnr s TYR 286 Cb -0.01 -3.27 -0.09 0.00 -0.40 0.00 0.00 41.96 38.19 3gnr s TYR 286 CO -0.03 -2.37 1.41 -2.30 -1.57 0.00 0.00 175.55 170.69 3gnr n PRO 287 N -3.52 2.22 -0.32 -1.71 -0.02 -1.26 -4.84 135.00 125.55 3gnr n PRO 287 Ca 0.11 0.79 0.15 0.00 -2.02 0.00 0.00 63.50 62.53 3gnr n PRO 287 Cb 0.52 -2.59 0.38 0.00 -0.02 0.00 0.00 33.50 31.79 3gnr n PRO 287 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gnr h ALA 288 N 2.28 1.85 -0.30 3.55 0.00 -2.00 -1.11 119.26 123.54 3gnr h ALA 288 Ca -0.50 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3gnr h ALA 288 Cb 1.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3gnr h ALA 288 CO 0.61 -0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.69 3gnr h THR 289 N 0.66 1.17 -0.12 0.00 1.03 -1.99 -0.04 112.91 113.62 3gnr h THR 289 Ca 0.54 -0.65 -0.10 0.00 -0.01 0.00 0.00 66.41 66.18 3gnr h THR 289 Cb 0.96 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 3gnr h THR 289 CO -0.30 0.22 -0.31 0.24 -0.01 0.00 0.00 175.52 175.36 3gnr h MET 290 N 0.43 0.43 -0.48 0.00 2.07 -1.58 -2.25 114.93 113.55 3gnr h MET 290 Ca 0.10 -0.30 0.07 0.00 -2.07 0.00 0.00 59.70 57.50 3gnr h MET 290 Cb 0.26 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 29.98 3gnr h MET 290 CO 0.00 0.91 0.16 -0.09 1.07 0.00 0.00 176.91 178.96 3gnr h ARG 291 N 0.01 0.31 -0.61 1.72 9.65 -1.04 0.12 114.38 124.54 3gnr h ARG 291 Ca -0.01 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3gnr h ARG 291 Cb 0.93 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 3gnr h ARG 291 CO 0.07 0.21 0.37 0.00 2.80 0.00 0.00 179.97 183.42 3gnr h ALA 292 N 1.33 0.79 0.00 2.80 0.00 -1.01 -1.90 119.26 121.26 3gnr h ALA 292 Ca 0.23 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 3gnr h ALA 292 Cb 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gnr h ALA 292 CO -0.25 0.11 -1.99 0.54 0.00 0.00 0.00 179.25 177.65 3gnr n ARG 293 N -4.73 0.66 -0.04 0.00 1.74 -0.85 -4.31 116.66 109.13 3gnr n ARG 293 Ca 0.06 0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.15 3gnr n ARG 293 Cb 0.08 -1.63 -0.14 0.00 -1.02 0.00 0.00 32.46 29.76 3gnr n ARG 293 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gnr n VAL 294 N -2.75 1.25 -0.55 1.55 0.31 0.39 -4.96 118.33 113.58 3gnr n VAL 294 Ca -0.20 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.36 3gnr n VAL 294 Cb 0.97 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3gnr n VAL 294 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gnr n GLY 295 N 1.56 3.53 0.07 2.92 0.00 -0.71 -2.49 105.19 110.07 3gnr n GLY 295 Ca -0.20 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.79 3gnr n GLY 295 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gnr n GLU 296 N 14.00 0.11 0.00 1.61 -0.58 -1.26 -1.63 120.64 132.89 3gnr n GLU 296 Ca 0.00 0.35 0.14 0.00 -0.42 0.00 0.00 57.16 57.22 3gnr n GLU 296 Cb 0.00 -1.71 0.64 0.00 -0.57 0.00 0.00 31.44 29.79 3gnr n GLU 296 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3gnr n ARG 297 N -1.92 0.11 -3.52 3.49 1.74 -1.04 -4.64 116.66 110.88 3gnr n ARG 297 Ca 0.03 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 3gnr n ARG 297 Cb 0.21 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 3gnr n ARG 297 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gnr s LEU 298 N -2.88 4.65 0.83 0.55 2.96 -0.65 -4.71 118.68 119.42 3gnr s LEU 298 Ca 0.17 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 3gnr s LEU 298 Cb 0.19 -2.14 0.07 0.00 0.50 0.00 0.00 46.19 44.81 3gnr s LEU 298 CO 0.49 -0.29 1.04 -2.65 -1.32 0.00 0.00 176.35 173.63 3gnr n PRO 299 N 5.11 0.07 -4.53 0.98 -0.02 -1.26 -4.93 135.00 130.42 3gnr n PRO 299 Ca -0.12 0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 3gnr n PRO 299 Cb 0.49 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 3gnr n PRO 299 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gnr s ARG 300 N -3.98 3.08 0.31 -0.52 0.52 -1.26 -4.99 118.95 112.11 3gnr s ARG 300 Ca 0.70 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 55.11 3gnr s ARG 300 Cb -0.28 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.38 3gnr s ARG 300 CO 0.54 0.52 1.06 -0.06 0.02 0.00 0.00 175.30 177.38 3gnr s PHE 301 N -0.42 3.56 0.92 -0.53 0.08 -1.26 -5.05 117.98 115.27 3gnr s PHE 301 Ca 0.06 1.72 -0.12 0.00 0.12 0.00 0.00 56.93 58.71 3gnr s PHE 301 Cb -0.12 -3.18 0.14 0.00 -0.57 0.00 0.00 43.02 39.29 3gnr s PHE 301 CO 0.02 -0.39 1.11 0.95 -0.10 0.00 0.00 175.22 176.81 3gnr s THR 302 N -1.32 2.32 0.20 0.64 -4.23 -1.26 -4.82 115.64 107.17 3gnr s THR 302 Ca 0.48 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 3gnr s THR 302 Cb -0.28 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 70.97 3gnr s THR 302 CO 0.35 -0.14 1.85 0.00 -0.54 0.00 0.00 174.62 176.15 3gnr h ALA 303 N -1.57 0.89 -0.51 3.99 0.00 -1.99 0.26 119.26 120.33 3gnr h ALA 303 Ca -0.51 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3gnr h ALA 303 Cb 1.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3gnr h ALA 303 CO 0.59 0.22 0.01 -0.44 0.00 0.00 0.00 179.25 179.62 3gnr h ASP 304 N 0.86 0.82 -0.16 0.00 3.32 -1.99 -1.78 116.42 117.49 3gnr h ASP 304 Ca 0.27 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3gnr h ASP 304 Cb -0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3gnr h ASP 304 CO -0.10 0.88 0.01 -0.33 -1.72 0.00 0.00 179.24 177.99 3gnr h GLU 305 N 0.80 0.27 -0.75 3.56 5.08 -1.86 -2.79 114.58 118.88 3gnr h GLU 305 Ca 0.15 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3gnr h GLU 305 Cb 0.47 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3gnr h GLU 305 CO 0.02 0.47 0.49 0.00 -1.00 0.00 0.00 179.01 179.00 3gnr h ALA 306 N 0.79 1.66 0.00 3.43 0.00 -0.78 -0.23 119.26 124.13 3gnr h ALA 306 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gnr h ALA 306 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gnr h ALA 306 CO 0.01 0.22 -0.29 0.00 0.00 0.00 0.00 179.25 179.19 3gnr h ALA 307 N 1.59 1.13 0.00 0.00 0.00 -1.19 -0.11 119.26 120.68 3gnr h ALA 307 Ca 0.32 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 3gnr h ALA 307 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3gnr h ALA 307 CO -0.11 0.37 -1.57 -0.39 0.00 0.00 0.00 179.25 177.55 3gnr h VAL 308 N 0.00 0.73 0.11 0.00 -1.51 -1.02 -3.39 116.25 111.18 3gnr h VAL 308 Ca -0.00 -2.44 -0.22 0.00 -1.23 0.00 0.00 66.70 62.81 3gnr h VAL 308 Cb 0.71 2.28 0.02 0.00 -2.13 0.00 0.00 31.29 32.17 3gnr h VAL 308 CO 0.04 0.41 -0.91 0.58 -1.23 0.00 0.00 177.57 176.46 3gnr h VAL 309 N 0.00 1.42 -2.86 7.19 2.07 -0.90 -3.40 116.25 119.78 3gnr h VAL 309 Ca -0.23 -2.42 -0.54 0.00 0.82 0.00 0.00 66.70 64.32 3gnr h VAL 309 Cb 1.84 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 34.55 3gnr h VAL 309 CO 0.07 0.70 0.88 -0.75 0.02 0.00 0.00 177.57 178.49 3gnr s LYS 310 N -2.75 4.26 0.00 1.57 2.20 -0.07 -2.24 119.74 122.71 3gnr s LYS 310 Ca -0.12 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 3gnr s LYS 310 Cb 0.03 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3gnr s LYS 310 CO 0.86 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 3gnr n GLY 311 N 3.73 0.50 0.00 5.54 0.00 0.98 -4.92 105.19 111.02 3gnr n GLY 311 Ca 0.14 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3gnr n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnr n ALA 312 N 0.84 2.37 -2.85 4.61 0.00 -0.95 -4.73 120.51 119.79 3gnr n ALA 312 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3gnr n ALA 312 Cb 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 3gnr n ALA 312 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gnr s LEU 313 N -2.50 4.35 -0.03 0.00 1.43 -1.26 -4.90 118.68 115.78 3gnr s LEU 313 Ca 0.28 0.43 0.12 0.00 -1.03 0.00 0.00 54.13 53.93 3gnr s LEU 313 Cb 0.18 -2.07 -0.23 0.00 0.03 0.00 0.00 46.19 44.11 3gnr s LEU 313 CO 0.40 0.37 0.71 0.44 0.23 0.00 0.00 176.35 178.50 3gnr h ASP 314 N 5.27 0.00 -5.15 2.29 3.32 -0.76 -3.49 116.42 117.89 3gnr h ASP 314 Ca -0.53 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.45 3gnr h ASP 314 Cb 1.22 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 3gnr h ASP 314 CO 0.61 0.99 -0.24 0.72 -1.72 0.00 0.00 179.24 179.59 3gnr s PHE 315 N -2.62 0.07 -0.29 4.55 -0.12 -1.19 -4.52 117.98 113.87 3gnr s PHE 315 Ca -0.04 -0.45 -0.07 0.00 -0.05 0.00 0.00 56.93 56.32 3gnr s PHE 315 Cb 0.08 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3gnr s PHE 315 CO 0.82 -0.65 0.08 0.08 -0.05 0.00 0.00 175.22 175.50 3gnr s VAL 316 N -3.87 3.99 -0.10 -2.49 1.01 0.32 -3.96 120.40 115.30 3gnr s VAL 316 Ca 0.07 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 3gnr s VAL 316 Cb 0.03 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3gnr s VAL 316 CO -0.09 0.10 0.83 -0.83 0.00 0.00 0.00 175.10 175.12 3gnr s GLY 317 N 1.51 2.45 -0.23 4.51 0.00 0.37 -1.26 107.32 114.66 3gnr s GLY 317 Ca 0.03 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 3gnr s GLY 317 CO 0.02 1.54 -0.03 -0.42 0.00 0.00 0.00 173.10 174.21 3gnr s ILE 318 N 1.49 3.36 -0.46 0.90 -1.09 0.33 -0.47 121.20 125.26 3gnr s ILE 318 Ca 0.42 -0.61 -0.18 0.00 -2.23 0.00 0.00 60.65 58.04 3gnr s ILE 318 Cb -0.18 -2.59 0.04 0.00 -1.58 0.00 0.00 42.46 38.15 3gnr s ILE 318 CO 0.18 0.34 0.54 0.20 -1.23 0.00 0.00 174.94 174.97 3gnr s ASN 319 N 1.46 6.23 -0.03 3.58 -0.87 0.39 -0.61 114.94 125.08 3gnr s ASN 319 Ca 0.04 -0.75 0.01 0.00 -1.57 0.00 0.00 52.86 50.59 3gnr s ASN 319 Cb -0.15 -2.26 0.02 0.00 -0.02 0.00 0.00 41.25 38.83 3gnr s ASN 319 CO -0.03 -0.74 -0.04 -2.28 -2.57 0.00 0.00 177.10 171.44 3gnr s HIS 320 N 2.42 0.56 0.00 2.20 2.46 -0.31 -0.92 115.29 121.69 3gnr s HIS 320 Ca 0.15 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.56 3gnr s HIS 320 Cb -0.18 -0.49 0.00 0.00 -0.13 0.00 0.00 32.58 31.78 3gnr s HIS 320 CO 0.13 -0.12 0.00 0.66 -2.47 0.00 0.00 174.74 172.95 3gnr n TYR 321 N 3.74 0.00 -3.90 3.88 4.02 -1.26 -4.27 117.16 119.37 3gnr n TYR 321 Ca -0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.57 3gnr n TYR 321 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.80 3gnr n TYR 321 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3gnr s THR 322 N -1.67 0.02 -0.03 -0.72 -1.32 -1.26 -4.64 115.64 106.02 3gnr s THR 322 Ca 0.00 -1.19 0.02 0.00 -1.21 0.00 0.00 61.69 59.31 3gnr s THR 322 Cb 0.00 -1.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.07 3gnr s THR 322 CO 0.00 -0.10 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.35 3gnr s THR 323 N -3.96 0.63 0.33 5.08 2.01 -1.26 -1.53 115.64 116.95 3gnr s THR 323 Ca 0.17 -0.26 0.10 0.00 0.31 0.00 0.00 61.69 62.01 3gnr s THR 323 Cb -0.00 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 3gnr s THR 323 CO 0.03 0.21 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.76 3gnr s TYR 324 N 0.35 2.39 0.23 4.92 1.51 -0.45 -4.86 117.35 121.44 3gnr s TYR 324 Ca -0.05 -0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 55.38 3gnr s TYR 324 Cb -0.09 -1.30 -0.08 0.00 -0.11 0.00 0.00 41.96 40.38 3gnr s TYR 324 CO 0.00 0.61 0.71 0.71 -1.11 0.00 0.00 175.55 176.47 3gnr s TYR 325 N -2.58 3.59 -0.05 2.71 2.02 0.51 -1.05 117.35 122.50 3gnr s TYR 325 Ca 0.32 1.31 0.03 0.00 -0.37 0.00 0.00 57.07 58.37 3gnr s TYR 325 Cb 0.01 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 3gnr s TYR 325 CO 0.16 0.30 -0.15 0.99 -1.57 0.00 0.00 175.55 175.28 3gnr s THR 326 N -1.61 1.31 0.22 -0.71 2.01 0.68 -0.12 115.64 117.41 3gnr s THR 326 Ca 0.45 -0.62 0.11 0.00 0.31 0.00 0.00 61.69 61.94 3gnr s THR 326 Cb -0.15 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 3gnr s THR 326 CO 0.20 0.39 -0.22 0.00 -0.69 0.00 0.00 174.62 174.30 3gnr s ARG 327 N 0.29 1.54 0.46 4.92 1.70 -0.30 -0.30 118.95 127.26 3gnr s ARG 327 Ca -0.09 -1.60 -0.25 0.00 -0.47 0.00 0.00 55.73 53.33 3gnr s ARG 327 Cb -0.13 -1.75 -0.08 0.00 -0.57 0.00 0.00 34.95 32.42 3gnr s ARG 327 CO 0.03 0.36 1.39 1.58 -1.08 0.00 0.00 175.30 177.57 3gnr n HIS 328 N -0.04 2.52 -3.80 5.89 -0.00 -1.26 -1.30 115.22 117.22 3gnr n HIS 328 Ca -0.10 0.45 -0.13 0.00 -0.00 0.00 0.00 57.72 57.94 3gnr n HIS 328 Cb 0.58 -2.43 -0.13 0.00 -0.00 0.00 0.00 29.99 28.00 3gnr n HIS 328 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3gnr s ASN 329 N -0.54 -0.11 -0.15 0.26 2.47 -0.27 -4.66 114.94 111.94 3gnr s ASN 329 Ca 0.62 0.25 -0.03 0.00 0.42 0.00 0.00 52.86 54.12 3gnr s ASN 329 Cb -0.46 0.21 -0.03 0.00 -1.45 0.00 0.00 41.25 39.52 3gnr s ASN 329 CO 0.57 -0.08 -0.04 0.20 -3.72 0.00 0.00 177.10 174.03 3gnr s ASN 330 N 0.46 4.80 0.58 -4.21 0.01 -1.26 -4.15 114.94 111.18 3gnr s ASN 330 Ca -0.03 -0.11 -0.20 0.00 -0.71 0.00 0.00 52.86 51.80 3gnr s ASN 330 Cb -0.05 -1.73 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 3gnr s ASN 330 CO -0.02 0.19 1.31 0.41 -1.51 0.00 0.00 177.10 177.48 3gnr n THR 331 N 3.37 4.20 -1.67 1.60 -1.04 -1.26 -4.88 114.28 114.60 3gnr n THR 331 Ca -0.17 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 60.87 3gnr n THR 331 Cb 0.53 -1.57 -0.04 0.00 -1.82 0.00 0.00 70.33 67.42 3gnr n THR 331 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3gnr n ASN 332 N -1.27 3.60 0.26 8.00 3.02 -1.26 -4.86 115.26 122.75 3gnr n ASN 332 Ca 0.12 0.93 0.10 0.00 -0.03 0.00 0.00 54.58 55.70 3gnr n ASN 332 Cb 0.46 -1.41 0.69 0.00 -0.61 0.00 0.00 39.78 38.91 3gnr n ASN 332 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gnr h ILE 333 N 5.59 0.84 -3.30 2.41 6.09 -2.04 -3.39 117.51 123.72 3gnr h ILE 333 Ca -0.48 -0.27 -0.63 0.00 -1.37 0.00 0.00 64.86 62.11 3gnr h ILE 333 Cb 1.26 1.15 -0.20 0.00 0.47 0.00 0.00 36.82 39.51 3gnr h ILE 333 CO 0.95 0.07 -0.63 0.27 -3.07 0.00 0.00 178.15 175.74 3gnr s ILE 334 N -4.69 4.18 0.00 2.19 -4.36 -1.26 -5.01 121.20 112.25 3gnr s ILE 334 Ca -0.04 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 3gnr s ILE 334 Cb 0.16 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3gnr s ILE 334 CO 0.63 0.49 0.00 0.61 0.24 0.00 0.00 174.94 176.91 3gnr n GLY 335 N 3.50 3.99 3.70 6.27 0.00 -1.26 -5.05 105.19 116.35 3gnr n GLY 335 Ca -0.17 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3gnr n GLY 335 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gnr s THR 336 N -2.18 4.23 -0.06 2.61 -1.32 -1.26 -4.98 115.64 112.67 3gnr s THR 336 Ca 0.00 1.59 -0.30 0.00 -1.21 0.00 0.00 61.69 61.77 3gnr s THR 336 Cb 0.00 -4.02 -0.03 0.00 -1.51 0.00 0.00 72.50 66.95 3gnr s THR 336 CO 0.00 0.09 1.12 -1.48 -2.21 0.00 0.00 174.62 172.14 3gnr s LEU 337 N 1.40 4.28 -0.42 9.08 2.34 -1.26 -5.00 118.68 129.09 3gnr s LEU 337 Ca 0.57 1.72 -0.03 0.00 0.06 0.00 0.00 54.13 56.45 3gnr s LEU 337 Cb -0.27 -3.56 0.11 0.00 -0.56 0.00 0.00 46.19 41.92 3gnr s LEU 337 CO 0.27 -0.52 0.22 -0.76 -1.06 0.00 0.00 176.35 174.50 3gnr s LEU 338 N 2.03 5.25 0.30 1.48 1.43 -1.26 -5.08 118.68 122.82 3gnr s LEU 338 Ca 0.53 -2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 51.25 3gnr s LEU 338 Cb -0.22 -1.83 -0.13 0.00 0.03 0.00 0.00 46.19 44.04 3gnr s LEU 338 CO 0.21 -0.53 1.31 0.59 0.23 0.00 0.00 176.35 178.16 3gnr n ASN 339 N 4.51 2.65 -3.68 2.29 3.02 -1.26 -4.97 115.26 117.83 3gnr n ASN 339 Ca -0.01 1.18 -0.09 0.00 -0.03 0.00 0.00 54.58 55.63 3gnr n ASN 339 Cb 0.41 -1.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.11 3gnr n ASN 339 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gnr s ASN 340 N -0.12 -0.39 0.16 6.41 2.20 -1.26 -2.48 114.94 119.47 3gnr s ASN 340 Ca 0.60 -0.35 -0.09 0.00 -0.94 0.00 0.00 52.86 52.08 3gnr s ASN 340 Cb -0.61 0.67 0.01 0.00 -2.00 0.00 0.00 41.25 39.32 3gnr s ASN 340 CO 0.58 -1.18 1.49 0.71 -2.94 0.00 0.00 177.10 175.75 3gnr h THR 341 N 2.00 1.28 -0.42 0.54 1.35 -1.93 -2.25 112.91 113.49 3gnr h THR 341 Ca -0.25 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 63.99 3gnr h THR 341 Cb 1.27 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 3gnr h THR 341 CO 0.29 0.53 0.22 0.25 -0.25 0.00 0.00 175.52 176.55 3gnr h LEU 342 N 0.68 0.53 -0.86 3.87 5.85 -1.95 -2.47 115.31 120.96 3gnr h LEU 342 Ca 0.05 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3gnr h LEU 342 Cb 1.00 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3gnr h LEU 342 CO 0.10 0.48 0.54 0.00 -0.34 0.00 0.00 178.44 179.22 3gnr h ALA 343 N 1.07 1.16 -0.30 1.25 0.00 -1.84 -1.53 119.26 119.07 3gnr h ALA 343 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gnr h ALA 343 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gnr h ALA 343 CO -0.02 0.33 0.20 -0.44 0.00 0.00 0.00 179.25 179.31 3gnr h ASP 344 N 1.01 0.34 0.35 0.00 3.32 -1.02 -2.70 116.42 117.74 3gnr h ASP 344 Ca 0.36 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 3gnr h ASP 344 Cb 0.10 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gnr h ASP 344 CO -0.15 0.25 -0.13 0.71 -1.72 0.00 0.00 179.24 178.20 3gnr h THR 345 N 0.41 0.64 -1.53 0.35 1.35 -0.83 -3.45 112.91 109.85 3gnr h THR 345 Ca 0.11 -0.57 -0.27 0.00 -0.55 0.00 0.00 66.41 65.13 3gnr h THR 345 Cb -0.05 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 67.69 3gnr h THR 345 CO -0.02 0.13 -0.31 0.61 -0.25 0.00 0.00 175.52 175.67 3gnr n GLY 346 N -0.71 0.29 3.13 5.82 0.00 -1.02 -4.80 105.19 107.91 3gnr n GLY 346 Ca -0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3gnr n GLY 346 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gnr s THR 347 N -2.61 0.28 -0.06 2.61 -4.23 -1.26 -1.11 115.64 109.26 3gnr s THR 347 Ca 0.00 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 3gnr s THR 347 Cb 0.00 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.09 3gnr s THR 347 CO 0.00 -0.76 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.53 3gnr s VAL 348 N -3.90 0.95 -0.07 2.29 1.01 -0.42 -4.73 120.40 115.53 3gnr s VAL 348 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3gnr s VAL 348 Cb 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3gnr s VAL 348 CO -0.04 0.31 -0.25 -0.44 0.00 0.00 0.00 175.10 174.68 3gnr s SER 349 N 0.67 3.09 -0.00 3.32 0.01 -1.26 -1.15 113.70 118.37 3gnr s SER 349 Ca -0.13 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.50 3gnr s SER 349 Cb -0.15 -1.06 0.01 0.00 0.21 0.00 0.00 66.02 65.03 3gnr s SER 349 CO 0.03 0.21 0.20 -0.76 0.41 0.00 0.00 173.24 173.33 3gnr s LEU 350 N 0.02 1.30 -0.02 2.44 1.02 0.82 -4.95 118.68 119.32 3gnr s LEU 350 Ca -0.09 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 53.99 3gnr s LEU 350 Cb -0.15 0.89 0.14 0.00 0.02 0.00 0.00 46.19 47.08 3gnr s LEU 350 CO 0.06 -0.40 0.93 -0.81 0.02 0.00 0.00 176.35 176.15 3gnr n PRO 351 N 1.40 1.54 -4.79 1.29 -0.04 -1.26 -0.36 135.00 132.77 3gnr n PRO 351 Ca -0.22 -0.56 -0.25 0.00 -0.04 0.00 0.00 63.50 62.43 3gnr n PRO 351 Cb 0.56 -1.37 -0.15 0.00 -0.04 0.00 0.00 33.50 32.49 3gnr n PRO 351 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gnr s PHE 352 N -1.58 1.68 -0.11 0.54 0.40 -1.26 0.24 117.98 117.89 3gnr s PHE 352 Ca 0.10 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.09 3gnr s PHE 352 Cb 0.06 -1.05 0.03 0.00 0.51 0.00 0.00 43.02 42.58 3gnr s PHE 352 CO 0.05 0.01 -0.04 0.21 0.70 0.00 0.00 175.22 176.15 3gnr s LYS 353 N -0.69 1.12 -1.46 0.44 2.20 -0.48 -4.77 119.74 116.11 3gnr s LYS 353 Ca 0.07 -0.19 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 3gnr s LYS 353 Cb -0.08 -1.49 0.05 0.00 -1.51 0.00 0.00 37.83 34.80 3gnr s LYS 353 CO 0.00 -0.34 0.91 0.09 -0.36 0.00 0.00 175.35 175.65 3gnr n ASN 354 N 5.01 -5.43 0.00 1.43 5.03 -1.26 -1.41 115.26 118.63 3gnr n ASN 354 Ca -0.10 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.79 3gnr n ASN 354 Cb 0.49 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.91 3gnr n ASN 354 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gnr n GLY 355 N -1.69 0.77 3.61 7.41 0.00 -1.26 -5.00 105.19 109.03 3gnr n GLY 355 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3gnr n GLY 355 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gnr s LYS 356 N -0.23 3.99 0.56 1.61 2.20 -0.50 -5.04 119.74 122.32 3gnr s LYS 356 Ca 0.00 -0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.10 3gnr s LYS 356 Cb 0.00 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 3gnr s LYS 356 CO 0.00 -0.06 1.25 -1.25 -0.36 0.00 0.00 175.35 174.93 3gnr s PRO 357 N 1.39 3.15 0.59 4.03 0.04 -1.26 -1.38 135.00 141.55 3gnr s PRO 357 Ca 0.07 1.95 0.37 0.00 0.04 0.00 0.00 61.00 63.43 3gnr s PRO 357 Cb -0.15 -2.11 1.76 0.00 0.04 0.00 0.00 34.50 34.04 3gnr s PRO 357 CO 0.07 -1.10 2.14 0.97 0.04 0.00 0.00 177.00 179.12 3gnr h ILE 358 N 1.22 0.10 -1.96 0.56 2.10 -0.58 -3.47 117.51 115.48 3gnr h ILE 358 Ca -0.50 -0.35 0.24 0.00 1.08 0.00 0.00 64.86 65.32 3gnr h ILE 358 Cb 1.29 1.31 -0.04 0.00 -1.09 0.00 0.00 36.82 38.29 3gnr h ILE 358 CO 0.57 0.02 0.64 0.61 -1.08 0.00 0.00 178.15 178.90 3gnr n GLY 359 N -0.47 0.40 3.68 8.18 0.00 -1.26 -4.91 105.19 110.81 3gnr n GLY 359 Ca -0.01 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 3gnr n GLY 359 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gnr s ASP 360 N -3.06 3.20 0.03 1.61 1.01 -1.26 -4.69 116.67 113.50 3gnr s ASP 360 Ca 0.22 2.28 0.08 0.00 0.71 0.00 0.00 52.55 55.84 3gnr s ASP 360 Cb -0.01 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3gnr s ASP 360 CO 0.00 -2.92 -0.24 -0.60 0.21 0.00 0.00 175.17 171.61 3gnr s ARG 361 N -4.41 1.93 0.13 8.23 3.52 -1.26 -0.28 118.95 126.81 3gnr s ARG 361 Ca 0.70 -1.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 3gnr s ARG 361 Cb -0.26 -2.04 0.03 0.00 -1.56 0.00 0.00 34.95 31.12 3gnr s ARG 361 CO 0.55 0.53 0.16 0.00 -0.81 0.00 0.00 175.30 175.72 3gnr n ALA 362 N 1.89 -0.23 -0.13 6.12 0.00 -0.16 -4.96 120.51 123.03 3gnr n ALA 362 Ca -0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 3gnr n ALA 362 Cb 0.52 -0.01 0.04 0.00 0.00 0.00 0.00 19.45 20.00 3gnr n ALA 362 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3gnr h ASN 363 N -0.40 0.14 -3.15 0.00 -1.24 -1.62 -3.43 115.58 105.88 3gnr h ASN 363 Ca -0.05 0.05 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 3gnr h ASN 363 Cb 0.15 0.04 0.06 0.00 0.73 0.00 0.00 38.32 39.29 3gnr h ASN 363 CO 0.04 0.12 0.83 -0.44 -1.29 0.00 0.00 177.43 176.68 3gnr s SER 364 N -5.37 6.58 0.63 1.15 0.01 -1.26 -4.87 113.70 110.56 3gnr s SER 364 Ca -0.13 2.70 0.38 0.00 1.31 0.00 0.00 55.95 60.21 3gnr s SER 364 Cb 0.13 -2.61 2.11 0.00 0.21 0.00 0.00 66.02 65.86 3gnr s SER 364 CO 0.72 -0.79 2.30 -0.29 0.41 0.00 0.00 173.24 175.59 3gnr h ILE 365 N 3.69 0.23 -0.00 1.44 6.09 -2.01 -1.96 117.51 124.99 3gnr h ILE 365 Ca -0.45 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3gnr h ILE 365 Cb 1.21 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3gnr h ILE 365 CO 0.83 0.01 -0.60 -2.67 -3.07 0.00 0.00 178.15 172.65 3gnr n TRP 366 N -3.40 0.00 -3.40 2.19 4.27 -1.26 -4.87 117.44 110.97 3gnr n TRP 366 Ca -0.03 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.13 3gnr n TRP 366 Cb 0.09 -0.11 -0.04 0.00 -1.36 0.00 0.00 31.31 29.89 3gnr n TRP 366 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3gnr s LEU 367 N -2.83 6.33 -0.08 5.67 0.20 -0.74 -4.96 118.68 122.27 3gnr s LEU 367 Ca 0.14 -2.43 -0.09 0.00 0.69 0.00 0.00 54.13 52.44 3gnr s LEU 367 Cb 0.17 -2.14 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 3gnr s LEU 367 CO 0.70 -0.63 0.22 -0.31 -0.29 0.00 0.00 176.35 176.04 3gnr s TYR 368 N 0.59 3.63 -0.49 5.38 2.02 -1.26 -0.99 117.35 126.23 3gnr s TYR 368 Ca 0.13 0.66 -0.20 0.00 -0.37 0.00 0.00 57.07 57.29 3gnr s TYR 368 Cb -0.18 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.39 3gnr s TYR 368 CO -0.05 0.71 0.66 0.42 -1.57 0.00 0.00 175.55 175.72 3gnr s ILE 369 N -1.06 4.81 -0.42 2.71 1.01 0.62 -4.27 121.20 124.59 3gnr s ILE 369 Ca 0.18 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3gnr s ILE 369 Cb -0.13 -4.29 0.19 0.00 0.01 0.00 0.00 42.46 38.24 3gnr s ILE 369 CO 0.07 -0.76 0.44 0.52 0.00 0.00 0.00 174.94 175.22 3gnr n VAL 370 N 5.76 -0.93 -0.22 2.92 0.31 -1.26 -4.19 118.33 120.72 3gnr n VAL 370 Ca -0.04 -3.24 0.18 0.00 -0.01 0.00 0.00 64.34 61.23 3gnr n VAL 370 Cb 0.47 -1.33 0.51 0.00 -0.91 0.00 0.00 33.84 32.58 3gnr n VAL 370 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3gnr h PRO 371 N 5.12 0.39 0.00 5.55 0.11 -1.92 -1.33 132.00 139.92 3gnr h PRO 371 Ca 0.19 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3gnr h PRO 371 Cb 0.93 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3gnr h PRO 371 CO 0.35 0.26 -0.08 0.07 -0.21 0.00 0.00 178.00 178.40 3gnr h ARG 372 N 0.40 0.00 -0.50 1.05 0.11 -1.95 -2.33 114.38 111.16 3gnr h ARG 372 Ca 0.44 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.58 3gnr h ARG 372 Cb 1.08 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 3gnr h ARG 372 CO -0.15 0.08 0.33 0.78 0.10 0.00 0.00 179.97 181.10 3gnr h GLY 373 N 0.46 0.52 0.98 0.08 0.00 -1.63 -1.45 103.07 102.03 3gnr h GLY 373 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3gnr h GLY 373 CO 0.01 0.12 0.27 1.98 0.00 0.00 0.00 176.54 178.92 3gnr h MET 374 N 0.41 0.69 -0.22 4.80 1.85 -1.59 -0.59 114.93 120.29 3gnr h MET 374 Ca 0.22 -0.08 -0.15 0.00 -0.61 0.00 0.00 59.70 59.08 3gnr h MET 374 Cb 0.34 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.23 3gnr h MET 374 CO -0.06 0.55 -0.44 -0.09 -0.40 0.00 0.00 176.91 176.47 3gnr h ARG 375 N 0.66 0.69 -0.62 0.39 2.43 -1.44 -2.15 114.38 114.34 3gnr h ARG 375 Ca 0.17 -0.44 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3gnr h ARG 375 Cb 0.06 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3gnr h ARG 375 CO -0.03 1.07 0.41 0.77 -1.51 0.00 0.00 179.97 180.67 3gnr h SER 376 N 0.40 0.70 -0.41 -3.80 0.02 -1.22 -2.43 113.55 106.81 3gnr h SER 376 Ca 0.01 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3gnr h SER 376 Cb 1.04 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3gnr h SER 376 CO 0.10 0.50 -0.01 0.25 -1.14 0.00 0.00 176.83 176.53 3gnr h LEU 377 N 0.82 0.71 -0.59 5.07 5.85 -1.06 -1.30 115.31 124.82 3gnr h LEU 377 Ca 0.23 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3gnr h LEU 377 Cb -0.07 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3gnr h LEU 377 CO -0.06 0.85 0.32 0.24 -0.34 0.00 0.00 178.44 179.45 3gnr h MET 378 N 0.55 0.59 -0.71 1.25 2.86 -1.16 -1.27 114.93 117.04 3gnr h MET 378 Ca 0.11 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3gnr h MET 378 Cb 0.49 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3gnr h MET 378 CO 0.02 0.39 0.28 -0.91 1.06 0.00 0.00 176.91 177.75 3gnr h ASN 379 N 0.61 1.00 -0.35 1.22 4.21 -1.25 -1.68 115.58 119.34 3gnr h ASN 379 Ca 0.26 -0.18 0.03 0.00 1.21 0.00 0.00 56.30 57.62 3gnr h ASN 379 Cb 0.14 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.05 3gnr h ASN 379 CO -0.16 0.90 0.14 0.22 -1.29 0.00 0.00 177.43 177.24 3gnr h TYR 380 N 1.03 0.26 -0.37 1.19 3.20 -0.77 -0.76 116.97 120.74 3gnr h TYR 380 Ca 0.24 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 3gnr h TYR 380 Cb 0.23 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3gnr h TYR 380 CO 0.02 0.12 0.01 0.28 -1.64 0.00 0.00 178.16 176.95 3gnr h VAL 381 N 0.30 1.26 -0.36 1.81 2.07 -1.08 -0.22 116.25 120.03 3gnr h VAL 381 Ca 0.15 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3gnr h VAL 381 Cb 0.10 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3gnr h VAL 381 CO -0.14 0.32 0.08 0.50 0.02 0.00 0.00 177.57 178.36 3gnr h LYS 382 N 0.46 0.20 -0.13 1.57 3.64 -1.14 -1.54 116.57 119.64 3gnr h LYS 382 Ca 0.11 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3gnr h LYS 382 Cb 0.44 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3gnr h LYS 382 CO 0.02 0.13 -0.17 0.93 -2.27 0.00 0.00 179.45 178.09 3gnr h GLU 383 N 0.21 0.34 -0.14 1.90 4.39 -0.90 0.67 114.58 121.05 3gnr h GLU 383 Ca 0.17 -0.20 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 3gnr h GLU 383 Cb 0.18 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3gnr h GLU 383 CO -0.21 0.77 -0.64 -0.09 -1.16 0.00 0.00 179.01 177.68 3gnr h ARG 384 N -0.06 0.52 -0.24 2.33 2.43 -0.97 -3.31 114.38 115.09 3gnr h ARG 384 Ca 0.01 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3gnr h ARG 384 Cb 0.72 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3gnr h ARG 384 CO 0.04 0.99 0.00 0.66 -1.51 0.00 0.00 179.97 180.15 3gnr n TYR 385 N -3.91 0.49 -3.16 2.20 4.01 -0.59 -4.99 117.16 111.21 3gnr n TYR 385 Ca -0.04 -0.66 -0.14 0.00 -0.16 0.00 0.00 57.90 56.90 3gnr n TYR 385 Cb 0.65 -0.13 0.07 0.00 -0.31 0.00 0.00 39.34 39.63 3gnr n TYR 385 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3gnr n ASN 386 N -0.13 -2.36 -3.49 7.72 3.02 -0.76 -3.96 115.26 115.31 3gnr n ASN 386 Ca 0.13 -0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 53.95 3gnr n ASN 386 Cb 0.56 -4.33 0.06 0.00 -0.61 0.00 0.00 39.78 35.46 3gnr n ASN 386 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3gnr n SER 387 N -2.77 -4.46 -4.79 6.41 2.88 0.16 -4.98 113.62 106.06 3gnr n SER 387 Ca -0.22 -0.80 -0.33 0.00 -1.33 0.00 0.00 58.87 56.19 3gnr n SER 387 Cb 0.64 -4.47 0.03 0.00 -0.75 0.00 0.00 64.21 59.66 3gnr n SER 387 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3gnr s PRO 388 N -5.28 3.00 0.29 -1.46 0.04 -1.25 -4.90 135.00 125.44 3gnr s PRO 388 Ca 0.30 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 3gnr s PRO 388 Cb -0.07 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3gnr s PRO 388 CO 0.79 -1.08 1.36 -2.14 0.04 0.00 0.00 177.00 175.97 3gnr s PRO 389 N -4.19 4.32 -0.02 0.56 0.02 -1.26 -4.62 135.00 129.80 3gnr s PRO 389 Ca 0.65 2.24 0.06 0.00 0.02 0.00 0.00 61.00 63.97 3gnr s PRO 389 Cb -0.18 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 3gnr s PRO 389 CO 0.41 -0.28 -0.21 0.08 -0.33 0.00 0.00 177.00 176.67 3gnr s VAL 390 N -0.64 1.65 -0.07 3.83 1.01 -0.08 -0.53 120.40 125.58 3gnr s VAL 390 Ca 0.53 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3gnr s VAL 390 Cb -0.40 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3gnr s VAL 390 CO 0.49 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.57 3gnr s TYR 391 N -0.39 2.64 -0.70 5.22 1.51 -0.39 -0.18 117.35 125.07 3gnr s TYR 391 Ca 0.05 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.42 3gnr s TYR 391 Cb -0.09 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3gnr s TYR 391 CO -0.00 -0.02 1.40 0.42 -1.11 0.00 0.00 175.55 176.24 3gnr s ILE 392 N -0.32 3.66 -1.32 2.71 -1.09 -0.22 -0.51 121.20 124.12 3gnr s ILE 392 Ca 0.02 0.40 0.28 0.00 -2.23 0.00 0.00 60.65 59.12 3gnr s ILE 392 Cb -0.13 -4.70 0.29 0.00 -1.58 0.00 0.00 42.46 36.35 3gnr s ILE 392 CO 0.02 -1.62 1.78 0.35 -1.23 0.00 0.00 174.94 174.24 3gnr n THR 393 N 6.58 0.00 -3.61 2.92 -2.24 0.22 -0.21 114.28 117.94 3gnr n THR 393 Ca 0.07 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 3gnr n THR 393 Cb 0.50 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 3gnr n THR 393 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3gnr s GLU 394 N -2.74 0.53 -0.22 -0.78 2.12 -1.20 -4.70 118.70 111.71 3gnr s GLU 394 Ca 0.21 1.04 -0.19 0.00 0.36 0.00 0.00 54.97 56.39 3gnr s GLU 394 Cb 0.19 0.30 0.06 0.00 0.26 0.00 0.00 34.13 34.95 3gnr s GLU 394 CO 0.54 -0.13 0.59 1.21 -0.54 0.00 0.00 175.26 176.93 3gnr s ASN 395 N 1.91 -0.65 0.00 -1.70 2.47 -0.86 -1.16 114.94 114.95 3gnr s ASN 395 Ca -0.08 1.21 0.00 0.00 0.42 0.00 0.00 52.86 54.41 3gnr s ASN 395 Cb -0.06 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.93 3gnr s ASN 395 CO -0.18 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.60 3gnr n GLY 396 N 3.10 -1.17 3.56 1.21 0.00 -1.26 -0.91 105.19 109.71 3gnr n GLY 396 Ca -0.15 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 3gnr n GLY 396 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3gnr s MET 397 N -1.24 1.45 0.10 1.61 0.23 -1.26 -4.93 119.30 115.26 3gnr s MET 397 Ca 0.00 -1.04 0.10 0.00 -1.03 0.00 0.00 55.69 53.72 3gnr s MET 397 Cb 0.00 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.76 3gnr s MET 397 CO 0.00 -0.61 -0.24 0.16 -2.03 0.00 0.00 175.02 172.30 3gnr s ASP 398 N -2.94 3.47 0.46 -1.18 -4.77 -1.26 -4.50 116.67 105.95 3gnr s ASP 398 Ca 0.15 -0.63 0.00 0.00 -3.30 0.00 0.00 52.55 48.77 3gnr s ASP 398 Cb -0.01 -0.35 0.00 0.00 -1.09 0.00 0.00 42.92 41.47 3gnr s ASP 398 CO 0.02 0.21 0.68 -1.81 0.70 0.00 0.00 175.17 174.98 3gnr s ASP 399 N -1.81 5.76 0.75 2.11 1.01 0.09 -1.67 116.67 122.91 3gnr s ASP 399 Ca 0.14 0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.53 3gnr s ASP 399 Cb -0.10 -1.44 0.04 0.00 1.01 0.00 0.00 42.92 42.43 3gnr s ASP 399 CO 0.06 -0.76 1.10 -0.94 0.21 0.00 0.00 175.17 174.84 3gnr s SER 400 N -4.25 5.00 -0.57 0.27 1.04 -1.26 -0.88 113.70 113.04 3gnr s SER 400 Ca 0.50 1.21 -0.16 0.00 0.48 0.00 0.00 55.95 57.98 3gnr s SER 400 Cb -0.10 -1.98 0.14 0.00 0.10 0.00 0.00 66.02 64.18 3gnr s SER 400 CO 0.38 -1.64 0.54 0.21 0.98 0.00 0.00 173.24 173.71 3gnr s ASN 401 N -4.15 6.25 -0.39 7.02 3.84 -1.02 -4.60 114.94 121.88 3gnr s ASN 401 Ca 0.59 -1.88 -0.04 0.00 0.21 0.00 0.00 52.86 51.74 3gnr s ASN 401 Cb -0.13 -2.21 0.09 0.00 -0.55 0.00 0.00 41.25 38.46 3gnr s ASN 401 CO 0.53 -0.84 0.19 0.21 -2.79 0.00 0.00 177.10 174.40 3gnr s ASN 402 N 3.44 5.28 0.00 -4.21 3.84 -1.26 -4.95 114.94 117.08 3gnr s ASN 402 Ca 0.05 -1.81 0.18 0.00 0.21 0.00 0.00 52.86 51.49 3gnr s ASN 402 Cb -0.28 -1.84 0.76 0.00 -0.55 0.00 0.00 41.25 39.34 3gnr s ASN 402 CO 0.02 -0.50 1.56 -0.81 -2.79 0.00 0.00 177.10 174.57 3gnr n PRO 403 N 4.67 0.03 -0.02 0.43 -0.04 -1.26 -2.87 135.00 135.93 3gnr n PRO 403 Ca -0.06 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 3gnr n PRO 403 Cb 0.42 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.79 3gnr n PRO 403 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gnr n PHE 404 N -1.48 0.04 -4.33 0.54 3.72 -1.26 -4.88 117.46 109.82 3gnr n PHE 404 Ca 0.05 -0.02 -0.24 0.00 -0.05 0.00 0.00 57.45 57.19 3gnr n PHE 404 Cb 0.20 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 3gnr n PHE 404 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3gnr s ILE 405 N -1.96 3.20 0.68 4.37 -4.36 -1.14 -5.13 121.20 116.86 3gnr s ILE 405 Ca 0.35 -1.97 -0.14 0.00 -0.26 0.00 0.00 60.65 58.64 3gnr s ILE 405 Cb 0.20 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 41.24 3gnr s ILE 405 CO 0.32 -0.33 1.09 -0.94 0.24 0.00 0.00 174.94 175.32 3gnr s SER 406 N -3.49 5.08 0.21 4.36 1.04 -1.26 -4.88 113.70 114.76 3gnr s SER 406 Ca 0.30 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.52 3gnr s SER 406 Cb -0.07 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.79 3gnr s SER 406 CO 0.18 -1.64 1.71 0.40 0.98 0.00 0.00 173.24 174.87 3gnr h ILE 407 N -0.27 0.67 -0.76 -1.02 2.04 -1.98 -1.29 117.51 114.89 3gnr h ILE 407 Ca -0.46 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 65.45 3gnr h ILE 407 Cb 1.23 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 3gnr h ILE 407 CO 0.54 0.05 0.31 0.11 0.00 0.00 0.00 178.15 179.17 3gnr h LYS 408 N 0.27 0.45 -0.35 2.37 1.57 -2.00 -0.41 116.57 118.47 3gnr h LYS 408 Ca 0.30 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3gnr h LYS 408 Cb 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3gnr h LYS 408 CO -0.38 0.30 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.02 3gnr h ASP 409 N 0.46 0.82 -0.04 0.86 3.32 -1.83 -2.84 116.42 117.17 3gnr h ASP 409 Ca 0.42 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3gnr h ASP 409 Cb 0.63 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3gnr h ASP 409 CO -0.40 1.09 0.04 0.00 -1.72 0.00 0.00 179.24 178.25 3gnr h ALA 410 N 0.96 1.64 0.00 3.45 0.00 0.05 -2.36 119.26 122.99 3gnr h ALA 410 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gnr h ALA 410 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gnr h ALA 410 CO 0.08 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3gnr n LEU 411 N -3.93 0.20 -3.80 0.00 4.77 -0.51 -4.50 117.00 109.24 3gnr n LEU 411 Ca -0.02 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 3gnr n LEU 411 Cb 0.13 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3gnr n LEU 411 CO 0.28 -0.13 2.24 0.29 -1.33 0.00 0.00 177.39 178.74 3gnr n LYS 412 N -1.70 3.39 -1.85 3.23 5.02 -0.89 -0.65 118.16 124.71 3gnr n LYS 412 Ca 0.06 -3.19 -0.35 0.00 -2.02 0.00 0.00 58.31 52.81 3gnr n LYS 412 Cb 0.31 -3.04 -0.02 0.00 -0.02 0.00 0.00 35.03 32.26 3gnr n LYS 412 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gnr n ASP 413 N 4.55 7.24 0.18 4.39 5.75 -1.26 -4.65 116.55 132.75 3gnr n ASP 413 Ca 0.45 -3.32 0.06 0.00 -0.01 0.00 0.00 54.79 51.97 3gnr n ASP 413 Cb 0.37 -1.25 0.56 0.00 -1.03 0.00 0.00 41.12 39.76 3gnr n ASP 413 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3gnr h SER 414 N 3.67 0.13 -0.28 -1.12 4.64 -1.98 -1.52 113.55 117.08 3gnr h SER 414 Ca 0.54 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.83 3gnr h SER 414 Cb 0.44 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3gnr h SER 414 CO 1.18 0.13 0.11 0.50 -0.87 0.00 0.00 176.83 177.88 3gnr h LYS 415 N 0.15 0.43 -0.70 4.77 3.64 -2.00 -1.20 116.57 121.66 3gnr h LYS 415 Ca 0.04 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3gnr h LYS 415 Cb 0.05 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3gnr h LYS 415 CO -0.00 0.47 0.40 -0.09 -2.27 0.00 0.00 179.45 177.96 3gnr h ARG 416 N 0.31 0.96 -0.37 1.90 2.43 -1.82 -0.21 114.38 117.57 3gnr h ARG 416 Ca 0.09 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3gnr h ARG 416 Cb 0.20 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3gnr h ARG 416 CO -0.01 0.70 0.09 0.82 -1.51 0.00 0.00 179.97 180.07 3gnr h ILE 417 N 0.95 0.84 -0.64 1.20 2.04 -1.03 -0.51 117.51 120.36 3gnr h ILE 417 Ca 0.25 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3gnr h ILE 417 Cb 0.00 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3gnr h ILE 417 CO -0.04 0.04 0.35 0.50 0.00 0.00 0.00 178.15 179.00 3gnr h LYS 418 N 0.23 0.90 0.12 2.37 3.64 -0.92 0.35 116.57 123.27 3gnr h LYS 418 Ca 0.18 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gnr h LYS 418 Cb 0.19 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3gnr h LYS 418 CO -0.21 0.69 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.44 3gnr h TYR 419 N 0.88 -0.80 -0.64 1.91 5.03 -0.54 0.11 116.97 122.92 3gnr h TYR 419 Ca 0.23 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 3gnr h TYR 419 Cb 0.05 0.34 -0.03 0.00 1.55 0.00 0.00 36.73 38.64 3gnr h TYR 419 CO -0.01 -0.40 0.17 0.45 -1.32 0.00 0.00 178.16 177.05 3gnr h HIS 420 N -0.52 1.06 -0.15 -3.82 3.86 -0.92 -0.55 115.15 114.12 3gnr h HIS 420 Ca 0.03 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3gnr h HIS 420 Cb 0.54 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3gnr h HIS 420 CO -0.26 0.88 -0.06 -0.97 0.86 0.00 0.00 177.93 178.38 3gnr h ASN 421 N 0.94 -0.19 -0.13 2.45 -1.24 -0.59 0.25 115.58 117.07 3gnr h ASN 421 Ca 0.20 0.05 -0.13 0.00 0.71 0.00 0.00 56.30 57.13 3gnr h ASN 421 Cb 0.35 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.51 3gnr h ASN 421 CO 0.00 -0.07 -0.43 0.44 -1.29 0.00 0.00 177.43 176.07 3gnr h ASP 422 N -0.03 0.61 -0.58 1.15 3.32 -0.51 -0.23 116.42 120.14 3gnr h ASP 422 Ca 0.08 -0.61 -0.07 0.00 0.02 0.00 0.00 57.03 56.45 3gnr h ASP 422 Cb 0.15 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3gnr h ASP 422 CO -0.17 1.11 0.10 1.88 -1.72 0.00 0.00 179.24 180.44 3gnr h TYR 423 N 0.14 1.02 -0.32 4.55 -1.99 -1.07 -1.96 116.97 117.35 3gnr h TYR 423 Ca -0.02 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.49 3gnr h TYR 423 Cb 1.06 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.49 3gnr h TYR 423 CO 0.11 0.89 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.95 3gnr h LEU 424 N 0.86 0.54 -0.32 3.88 3.38 -0.87 -0.17 115.31 122.61 3gnr h LEU 424 Ca 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gnr h LEU 424 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gnr h LEU 424 CO 0.01 0.70 0.14 0.74 0.09 0.00 0.00 178.44 180.13 3gnr h THR 425 N 0.51 1.17 -0.63 0.22 2.02 -0.82 0.28 112.91 115.65 3gnr h THR 425 Ca 0.09 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.81 3gnr h THR 425 Cb 0.53 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3gnr h THR 425 CO 0.03 0.18 0.39 0.78 0.37 0.00 0.00 175.52 177.26 3gnr h ASN 426 N 0.37 0.63 -0.50 4.18 4.21 -1.19 -1.72 115.58 121.57 3gnr h ASN 426 Ca 0.11 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 3gnr h ASN 426 Cb 0.15 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 3gnr h ASN 426 CO -0.01 0.44 0.30 0.25 -1.29 0.00 0.00 177.43 177.12 3gnr h LEU 427 N 0.76 0.59 -0.80 1.61 5.85 -0.57 -1.12 115.31 121.63 3gnr h LEU 427 Ca 0.25 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3gnr h LEU 427 Cb 0.03 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3gnr h LEU 427 CO -0.11 0.47 0.36 0.00 -0.34 0.00 0.00 178.44 178.83 3gnr h ALA 428 N 1.15 1.03 -0.64 1.25 0.00 -0.11 -2.19 119.26 119.75 3gnr h ALA 428 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3gnr h ALA 428 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3gnr h ALA 428 CO -0.03 0.62 0.21 0.00 0.00 0.00 0.00 179.25 180.04 3gnr h ALA 429 N 1.19 0.83 -0.53 0.00 0.00 -1.07 0.50 119.26 120.19 3gnr h ALA 429 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gnr h ALA 429 Cb 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gnr h ALA 429 CO -0.03 0.50 0.35 0.66 0.00 0.00 0.00 179.25 180.73 3gnr h SER 430 N 0.92 0.57 0.10 0.00 4.64 -0.62 0.85 113.55 120.01 3gnr h SER 430 Ca 0.21 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3gnr h SER 430 Cb 0.28 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3gnr h SER 430 CO -0.01 0.40 -0.05 0.40 -0.87 0.00 0.00 176.83 176.71 3gnr h ILE 431 N 0.67 0.87 -0.02 0.95 2.04 -0.99 -1.48 117.51 119.55 3gnr h ILE 431 Ca 0.21 -1.35 -0.12 0.00 1.00 0.00 0.00 64.86 64.59 3gnr h ILE 431 Cb 0.01 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3gnr h ILE 431 CO -0.05 0.26 -0.47 0.50 0.00 0.00 0.00 178.15 178.39 3gnr h LYS 432 N -0.92 0.36 0.12 2.37 3.64 -0.78 -2.45 116.57 118.92 3gnr h LYS 432 Ca -0.01 -0.35 -0.35 0.00 -1.27 0.00 0.00 60.65 58.67 3gnr h LYS 432 Cb 0.53 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3gnr h LYS 432 CO 0.02 1.02 -1.85 0.93 -2.27 0.00 0.00 179.45 177.31 3gnr h GLU 433 N -0.17 0.26 -0.00 1.90 5.08 -1.05 -3.40 114.58 117.20 3gnr h GLU 433 Ca -0.05 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3gnr h GLU 433 Cb 1.17 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3gnr h GLU 433 CO 0.09 1.13 -0.80 -0.25 -1.00 0.00 0.00 179.01 178.19 3gnr n ASP 434 N -3.44 1.27 -0.18 1.42 8.00 -1.05 -4.99 116.55 117.58 3gnr n ASP 434 Ca -0.26 -1.13 -0.02 0.00 0.71 0.00 0.00 54.79 54.08 3gnr n ASP 434 Cb 1.05 0.84 -0.01 0.00 -0.02 0.00 0.00 41.12 42.98 3gnr n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gnr n GLY 435 N 1.44 0.57 3.75 0.44 0.00 -0.92 -4.96 105.19 105.51 3gnr n GLY 435 Ca 0.05 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3gnr n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnr n ASP 437 N 2.09 5.24 -4.75 0.00 2.03 -1.26 -4.39 116.55 115.51 3gnr n ASP 437 Ca 0.03 -3.05 -0.35 0.00 0.52 0.00 0.00 54.79 51.94 3gnr n ASP 437 Cb 0.43 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.24 3gnr n ASP 437 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gnr s VAL 438 N 0.78 5.32 -0.28 5.18 1.01 -1.26 -0.90 120.40 130.25 3gnr s VAL 438 Ca 0.41 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.65 3gnr s VAL 438 Cb 0.02 -3.39 -0.15 0.00 0.00 0.00 0.00 36.38 32.86 3gnr s VAL 438 CO 0.00 0.49 0.36 0.54 0.00 0.00 0.00 175.10 176.50 3gnr n ARG 439 N 3.09 1.95 -3.61 2.72 5.12 0.75 -4.93 116.66 121.75 3gnr n ARG 439 Ca -0.17 -0.05 0.02 0.00 -1.93 0.00 0.00 57.85 55.72 3gnr n ARG 439 Cb 0.53 -1.14 -0.00 0.00 -1.16 0.00 0.00 32.46 30.69 3gnr n ARG 439 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gnr s GLY 440 N -2.63 -0.42 -0.12 -0.13 0.00 -1.26 -1.66 107.32 101.11 3gnr s GLY 440 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 44.72 45.43 3gnr s GLY 440 CO 0.46 0.14 0.26 -0.47 0.00 0.00 0.00 173.10 173.49 3gnr s TYR 441 N -2.38 -0.37 -0.16 1.90 5.04 0.61 -1.05 117.35 120.94 3gnr s TYR 441 Ca 0.14 0.87 0.02 0.00 -2.44 0.00 0.00 57.07 55.65 3gnr s TYR 441 Cb 0.05 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.41 3gnr s TYR 441 CO -0.04 -0.28 -0.20 -0.06 -1.34 0.00 0.00 175.55 173.63 3gnr s PHE 442 N 1.63 2.64 0.01 4.97 0.40 0.71 -0.82 117.98 127.53 3gnr s PHE 442 Ca -0.06 -1.46 -0.30 0.00 -0.60 0.00 0.00 56.93 54.51 3gnr s PHE 442 Cb -0.11 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 3gnr s PHE 442 CO -0.09 -0.71 1.08 0.00 0.70 0.00 0.00 175.22 176.20 3gnr s ALA 443 N 1.11 3.28 -0.34 5.36 0.00 -0.56 -2.02 121.76 128.60 3gnr s ALA 443 Ca -0.00 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 3gnr s ALA 443 Cb -0.14 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3gnr s ALA 443 CO -0.08 -0.37 0.61 -0.46 0.00 0.00 0.00 175.76 175.46 3gnr s TRP 444 N 1.19 3.18 0.17 0.00 -0.11 -0.09 -0.92 118.94 122.35 3gnr s TRP 444 Ca 0.54 0.40 -0.01 0.00 1.22 0.00 0.00 56.10 58.26 3gnr s TRP 444 Cb -0.24 -3.05 -0.04 0.00 -1.50 0.00 0.00 33.47 28.64 3gnr s TRP 444 CO 0.27 -0.56 0.08 0.45 -4.62 0.00 0.00 176.95 172.58 3gnr s SER 445 N 1.73 0.37 0.16 5.86 0.15 -0.11 -3.99 113.70 117.87 3gnr s SER 445 Ca 0.24 -1.28 -0.19 0.00 0.70 0.00 0.00 55.95 55.42 3gnr s SER 445 Cb -0.15 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.52 3gnr s SER 445 CO 0.14 -0.76 1.67 0.25 1.20 0.00 0.00 173.24 175.74 3gnr h LEU 446 N 2.74 -0.40 -7.99 3.45 5.85 -1.72 0.09 115.31 117.32 3gnr h LEU 446 Ca -0.36 0.11 -0.29 0.00 0.84 0.00 0.00 57.88 58.18 3gnr h LEU 446 Cb 1.22 0.24 -0.25 0.00 0.37 0.00 0.00 40.66 42.24 3gnr h LEU 446 CO 0.57 -0.15 -0.74 -0.76 -0.34 0.00 0.00 178.44 177.02 3gnr s LEU 447 N -10.55 2.11 0.49 2.25 1.43 -1.26 -1.33 118.68 111.81 3gnr s LEU 447 Ca -0.14 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 3gnr s LEU 447 Cb 0.13 -0.20 -0.10 0.00 0.03 0.00 0.00 46.19 46.06 3gnr s LEU 447 CO 0.70 -0.05 0.77 0.47 0.23 0.00 0.00 176.35 178.47 3gnr n ASP 448 N 2.35 0.11 -2.04 2.29 8.00 -0.42 -3.86 116.55 122.98 3gnr n ASP 448 Ca -0.17 0.89 -0.06 0.00 0.71 0.00 0.00 54.79 56.17 3gnr n ASP 448 Cb 0.57 -1.26 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 3gnr n ASP 448 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3gnr n ASN 449 N 0.48 -1.24 -4.58 -2.24 0.23 -1.26 -4.80 115.26 101.85 3gnr n ASN 449 Ca 0.11 -1.94 -0.43 0.00 -0.53 0.00 0.00 54.58 51.79 3gnr n ASN 449 Cb 0.43 2.08 -0.03 0.00 -2.08 0.00 0.00 39.78 40.18 3gnr n ASN 449 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3gnr s TRP 450 N -4.91 2.86 -1.33 -2.53 -0.00 -1.02 -4.67 118.94 107.35 3gnr s TRP 450 Ca 0.10 0.52 -0.06 0.00 -0.00 0.00 0.00 56.10 56.66 3gnr s TRP 450 Cb -0.02 -4.20 0.08 0.00 -0.00 0.00 0.00 33.47 29.32 3gnr s TRP 450 CO 0.08 -1.20 2.51 -1.91 -0.00 0.00 0.00 176.95 176.42 3gnr n GLU 451 N 7.52 4.36 0.00 5.86 4.07 0.40 -4.65 120.64 138.20 3gnr n GLU 451 Ca 0.09 -3.20 0.00 0.00 -0.06 0.00 0.00 57.16 53.99 3gnr n GLU 451 Cb 0.49 -2.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.23 3gnr n GLU 451 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 3gnr n TRP 452 N 1.99 0.00 0.30 4.31 7.02 -1.26 -0.97 117.44 128.83 3gnr n TRP 452 Ca 0.65 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 57.31 3gnr n TRP 452 Cb 0.26 0.00 0.84 0.00 -2.42 0.00 0.00 31.31 29.99 3gnr n TRP 452 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3gnr h ALA 453 N -0.60 1.00 0.00 6.99 0.00 -1.86 -0.15 119.26 124.64 3gnr h ALA 453 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gnr h ALA 453 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gnr h ALA 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3gnr n ALA 454 N -2.05 2.26 -0.71 0.00 0.00 -0.14 -0.14 120.51 119.73 3gnr n ALA 454 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3gnr n ALA 454 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3gnr n ALA 454 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gnr n GLY 455 N 1.32 2.91 0.83 0.00 0.00 -0.07 -2.15 105.19 108.03 3gnr n GLY 455 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.94 3gnr n GLY 455 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gnr n TYR 456 N 14.00 0.65 0.74 1.61 4.02 -1.26 -0.45 117.16 136.47 3gnr n TYR 456 Ca 0.00 -0.28 0.13 0.00 -0.01 0.00 0.00 57.90 57.73 3gnr n TYR 456 Cb 0.00 -0.08 0.49 0.00 -0.02 0.00 0.00 39.34 39.73 3gnr n TYR 456 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gnr n SER 457 N 0.53 0.35 -4.18 7.72 3.41 -0.91 -4.66 113.62 115.89 3gnr n SER 457 Ca 0.13 0.54 -0.31 0.00 -0.26 0.00 0.00 58.87 58.97 3gnr n SER 457 Cb 0.43 -0.64 -0.17 0.00 -0.26 0.00 0.00 64.21 63.58 3gnr n SER 457 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gnr s SER 458 N -3.66 2.90 -0.41 4.04 0.15 -1.26 -2.45 113.70 113.01 3gnr s SER 458 Ca 0.11 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.24 3gnr s SER 458 Cb 0.14 -1.33 0.11 0.00 -1.71 0.00 0.00 66.02 63.24 3gnr s SER 458 CO 0.50 0.12 0.17 -0.13 1.20 0.00 0.00 173.24 175.10 3gnr s ARG 459 N 0.53 1.83 0.00 5.44 0.52 -0.06 -4.52 118.95 122.68 3gnr s ARG 459 Ca -0.15 -2.01 0.26 0.00 -0.52 0.00 0.00 55.73 53.31 3gnr s ARG 459 Cb -0.17 -3.41 0.69 0.00 0.52 0.00 0.00 34.95 32.58 3gnr s ARG 459 CO 0.05 -1.03 1.53 1.19 0.02 0.00 0.00 175.30 177.07 3gnr n PHE 460 N 4.17 0.00 -2.41 -0.53 3.01 -1.26 -0.73 117.46 119.71 3gnr n PHE 460 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.15 3gnr n PHE 460 Cb 0.40 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 3gnr n PHE 460 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3gnr s GLY 461 N -2.14 2.22 0.28 1.37 0.00 -1.25 -0.94 107.32 106.86 3gnr s GLY 461 Ca 0.31 0.35 0.07 0.00 0.00 0.00 0.00 44.72 45.45 3gnr s GLY 461 CO 0.39 0.65 1.66 1.41 0.00 0.00 0.00 173.10 177.20 3gnr h LEU 462 N 1.09 0.20 -9.23 0.66 3.38 -0.47 -3.43 115.31 107.50 3gnr h LEU 462 Ca -0.48 -0.10 -0.64 0.00 0.09 0.00 0.00 57.88 56.75 3gnr h LEU 462 Cb 1.20 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 3gnr h LEU 462 CO 0.60 0.67 -0.57 -0.31 0.09 0.00 0.00 178.44 178.92 3gnr s TYR 463 N -3.97 3.28 0.21 1.13 1.51 -0.44 -1.67 117.35 117.41 3gnr s TYR 463 Ca -0.04 0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.90 3gnr s TYR 463 Cb 0.13 -1.98 -0.08 0.00 -0.11 0.00 0.00 41.96 39.92 3gnr s TYR 463 CO 0.77 0.33 1.04 0.12 -1.11 0.00 0.00 175.55 176.71 3gnr s PHE 464 N -0.20 3.72 -0.20 2.71 2.19 0.25 -1.30 117.98 125.14 3gnr s PHE 464 Ca 0.07 1.73 -0.03 0.00 0.33 0.00 0.00 56.93 59.04 3gnr s PHE 464 Cb -0.12 -3.17 -0.01 0.00 -1.31 0.00 0.00 43.02 38.41 3gnr s PHE 464 CO 0.01 -0.21 -0.06 0.08 1.83 0.00 0.00 175.22 176.87 3gnr s VAL 465 N -0.69 3.27 -0.82 3.12 1.01 -1.26 -0.91 120.40 124.12 3gnr s VAL 465 Ca 0.46 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 3gnr s VAL 465 Cb -0.28 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.70 3gnr s VAL 465 CO 0.35 0.45 1.17 -0.62 0.00 0.00 0.00 175.10 176.45 3gnr s ASP 466 N 1.26 6.35 0.60 3.32 -1.08 0.25 -4.85 116.67 122.52 3gnr s ASP 466 Ca 0.03 -1.24 0.39 0.00 -0.52 0.00 0.00 52.55 51.20 3gnr s ASP 466 Cb -0.14 -2.47 1.85 0.00 -1.46 0.00 0.00 42.92 40.69 3gnr s ASP 466 CO -0.02 -1.44 2.16 1.88 0.52 0.00 0.00 175.17 178.26 3gnr h TYR 467 N 9.52 0.00 -0.32 -5.34 0.05 -1.93 -1.88 116.97 117.07 3gnr h TYR 467 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3gnr h TYR 467 Cb 1.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3gnr h TYR 467 CO 1.11 0.00 0.00 1.63 -1.05 0.00 0.00 178.16 179.85 3gnr n LYS 468 N -3.07 2.10 -3.13 4.88 5.02 -1.26 -4.42 118.16 118.28 3gnr n LYS 468 Ca -0.01 -1.66 -0.18 0.00 -2.02 0.00 0.00 58.31 54.43 3gnr n LYS 468 Cb 0.20 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3gnr n LYS 468 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gnr n ASP 469 N 0.87 0.22 -4.03 4.39 2.03 -0.78 -4.98 116.55 114.27 3gnr n ASP 469 Ca 0.17 -3.00 -0.30 0.00 0.52 0.00 0.00 54.79 52.19 3gnr n ASP 469 Cb 0.45 -0.30 -0.01 0.00 -0.72 0.00 0.00 41.12 40.53 3gnr n ASP 469 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3gnr n ASN 470 N 0.64 -2.13 -3.02 1.67 5.15 -1.25 -2.21 115.26 114.11 3gnr n ASN 470 Ca 0.22 -0.96 -0.22 0.00 -0.60 0.00 0.00 54.58 53.01 3gnr n ASN 470 Cb 0.63 -3.14 0.03 0.00 -0.53 0.00 0.00 39.78 36.76 3gnr n ASN 470 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3gnr n LEU 471 N -4.44 -2.42 -4.74 1.20 4.77 -0.78 -4.91 117.00 105.69 3gnr n LEU 471 Ca -0.12 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 3gnr n LEU 471 Cb 0.59 -2.82 -0.02 0.00 -2.33 0.00 0.00 43.42 38.84 3gnr n LEU 471 CO 0.79 0.18 1.15 -0.75 -1.33 0.00 0.00 177.39 177.43 3gnr s LYS 472 N -5.69 4.24 -0.10 3.23 2.20 -0.94 -4.61 119.74 118.06 3gnr s LYS 472 Ca 0.29 2.35 -0.18 0.00 -0.36 0.00 0.00 55.97 58.07 3gnr s LYS 472 Cb -0.13 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3gnr s LYS 472 CO 0.36 -0.49 0.47 1.03 -0.36 0.00 0.00 175.35 176.36 3gnr s ARG 473 N -0.03 4.28 -0.03 4.03 3.00 -1.26 -0.58 118.95 128.36 3gnr s ARG 473 Ca 0.62 0.45 0.05 0.00 0.00 0.00 0.00 55.73 56.85 3gnr s ARG 473 Cb -0.43 -3.40 -0.01 0.00 0.00 0.00 0.00 34.95 31.11 3gnr s ARG 473 CO 0.41 0.24 -0.18 0.71 0.00 0.00 0.00 175.30 176.48 3gnr s TYR 474 N 0.35 1.72 0.03 -0.53 1.51 -0.09 -4.98 117.35 115.35 3gnr s TYR 474 Ca 0.25 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 3gnr s TYR 474 Cb -0.15 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.52 3gnr s TYR 474 CO 0.11 -0.09 1.17 -1.25 -1.11 0.00 0.00 175.55 174.38 3gnr s PRO 475 N -0.25 4.43 0.87 -1.71 0.04 -1.26 -0.58 135.00 136.53 3gnr s PRO 475 Ca 0.03 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 3gnr s PRO 475 Cb -0.09 -3.41 0.11 0.00 0.04 0.00 0.00 34.50 31.15 3gnr s PRO 475 CO 0.01 -0.28 1.12 0.15 0.04 0.00 0.00 177.00 178.04 3gnr s LYS 476 N 1.33 1.46 0.54 4.56 1.02 -0.67 -4.88 119.74 123.11 3gnr s LYS 476 Ca 0.57 0.46 0.20 0.00 0.02 0.00 0.00 55.97 57.23 3gnr s LYS 476 Cb -0.27 -1.86 1.40 0.00 -0.52 0.00 0.00 37.83 36.58 3gnr s LYS 476 CO 0.27 -2.01 2.14 -0.91 -0.92 0.00 0.00 175.35 173.92 3gnr h ASN 477 N -1.37 0.00 -0.06 2.83 2.35 -1.17 -1.77 115.58 116.39 3gnr h ASN 477 Ca -0.49 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.27 3gnr h ASN 477 Cb 1.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 3gnr h ASN 477 CO 0.60 0.00 0.07 0.77 -1.65 0.00 0.00 177.43 177.22 3gnr h SER 478 N 0.00 0.00 -0.06 5.81 4.64 -1.83 -1.90 113.55 120.20 3gnr h SER 478 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gnr h SER 478 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3gnr h SER 478 CO -0.00 0.00 0.04 0.58 -0.87 0.00 0.00 176.83 176.58 3gnr h VAL 479 N 0.00 1.04 -0.24 0.95 2.07 -1.52 0.10 116.25 118.65 3gnr h VAL 479 Ca 0.03 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3gnr h VAL 479 Cb 0.16 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3gnr h VAL 479 CO -0.00 0.04 -0.04 1.56 0.02 0.00 0.00 177.57 179.15 3gnr h GLN 480 N 0.06 0.37 -0.12 1.57 1.08 -1.52 -1.21 115.11 115.33 3gnr h GLN 480 Ca 0.02 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3gnr h GLN 480 Cb 0.03 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3gnr h GLN 480 CO -0.00 0.43 -0.05 2.35 -0.95 0.00 0.00 178.83 180.60 3gnr h TRP 481 N 0.35 0.29 -0.95 2.96 7.01 -1.04 -1.39 115.95 123.19 3gnr h TRP 481 Ca 0.08 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 3gnr h TRP 481 Cb 0.31 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 3gnr h TRP 481 CO 0.01 0.58 0.58 0.74 -2.79 0.00 0.00 178.44 177.56 3gnr h PHE 482 N -0.08 1.24 -0.48 2.65 -1.00 -0.70 -1.45 116.94 117.12 3gnr h PHE 482 Ca 0.03 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.84 3gnr h PHE 482 Cb 0.50 -0.41 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 3gnr h PHE 482 CO 0.06 0.82 0.27 -0.22 -1.61 0.00 0.00 178.31 177.63 3gnr h LYS 483 N 1.30 0.53 -0.35 1.51 3.64 -1.00 -0.17 116.57 122.02 3gnr h LYS 483 Ca 0.34 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3gnr h LYS 483 Cb -0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3gnr h LYS 483 CO -0.07 0.35 0.16 0.00 -2.27 0.00 0.00 179.45 177.62 3gnr h ALA 484 N 1.23 0.45 -0.59 5.00 0.00 -1.06 -2.26 119.26 122.02 3gnr h ALA 484 Ca 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3gnr h ALA 484 Cb 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3gnr h ALA 484 CO -0.11 0.02 0.30 1.25 0.00 0.00 0.00 179.25 180.72 3gnr h LEU 485 N 0.42 0.43 -0.51 0.00 5.85 -0.95 -2.96 115.31 117.59 3gnr h LEU 485 Ca 0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3gnr h LEU 485 Cb 0.14 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3gnr h LEU 485 CO -0.01 0.28 -0.16 0.18 -0.34 0.00 0.00 178.44 178.39 3gnr n LEU 486 N -4.86 0.95 -4.71 2.25 4.77 -0.11 -3.26 117.00 112.04 3gnr n LEU 486 Ca 0.07 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 3gnr n LEU 486 Cb 0.17 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3gnr n LEU 486 CO 0.28 0.17 1.23 1.17 -1.33 0.00 0.00 177.39 178.91 3gnr n LYS 487 N -0.57 2.47 0.00 3.23 4.81 -0.86 -4.92 118.16 122.31 3gnr n LYS 487 Ca 0.15 0.89 0.03 0.00 -0.87 0.00 0.00 58.31 58.50 3gnr n LYS 487 Cb 0.32 -2.66 0.03 0.00 0.02 0.00 0.00 35.03 32.74 3gnr n LYS 487 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98