#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw3 s ALA 15 N 0.00 3.26 -1.56 3.55 0.00 -1.26 -4.97 121.76 120.78 3kw3 s ALA 15 Ca 0.00 0.94 0.13 0.00 0.00 0.00 0.00 51.96 53.03 3kw3 s ALA 15 Cb 0.00 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.84 3kw3 s ALA 15 CO 0.00 -0.38 0.88 0.25 0.00 0.00 0.00 175.76 176.51 3kw3 n THR 16 N 0.47 0.00 -3.66 0.00 -2.24 -1.26 -4.97 114.28 102.62 3kw3 n THR 16 Ca 0.02 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3kw3 n THR 16 Cb 0.46 1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.86 3kw3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kw3 s ALA 17 N -1.21 -1.61 -0.05 6.98 0.00 -1.26 -0.97 121.76 123.64 3kw3 s ALA 17 Ca 0.14 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3kw3 s ALA 17 Cb 0.11 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3kw3 s ALA 17 CO 0.20 -0.33 -0.04 0.42 0.00 0.00 0.00 175.76 176.01 3kw3 s ILE 18 N 1.07 0.53 -0.35 0.00 1.01 0.30 -1.06 121.20 122.70 3kw3 s ILE 18 Ca -0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 3kw3 s ILE 18 Cb -0.05 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.83 3kw3 s ILE 18 CO -0.10 0.24 0.22 0.00 0.00 0.00 0.00 174.94 175.30 3kw3 s ALA 19 N 1.18 3.41 -0.35 9.38 0.00 -0.17 -1.35 121.76 133.88 3kw3 s ALA 19 Ca -0.07 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 3kw3 s ALA 19 Cb -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 3kw3 s ALA 19 CO -0.01 -1.07 0.33 0.99 0.00 0.00 0.00 175.76 176.00 3kw3 s THR 20 N 1.67 5.20 -0.29 0.00 2.01 0.10 -1.41 115.64 122.93 3kw3 s THR 20 Ca 0.05 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 3kw3 s THR 20 Cb -0.18 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.54 3kw3 s THR 20 CO 0.09 -0.09 0.07 -0.63 -0.69 0.00 0.00 174.62 173.37 3kw3 s ILE 21 N 1.92 3.95 -1.00 1.82 1.01 0.72 -0.89 121.20 128.74 3kw3 s ILE 21 Ca 0.10 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 3kw3 s ILE 21 Cb -0.17 -3.01 0.17 0.00 0.01 0.00 0.00 42.46 39.46 3kw3 s ILE 21 CO 0.11 0.12 1.13 -0.62 0.00 0.00 0.00 174.94 175.68 3kw3 s ASP 22 N 1.51 6.84 0.30 3.58 -1.08 0.14 -1.03 116.67 126.93 3kw3 s ASP 22 Ca 0.03 -2.58 -0.01 0.00 -0.52 0.00 0.00 52.55 49.47 3kw3 s ASP 22 Cb -0.17 -2.34 0.47 0.00 -1.46 0.00 0.00 42.92 39.42 3kw3 s ASP 22 CO 0.02 -0.80 1.97 0.58 0.52 0.00 0.00 175.17 177.46 3kw3 h VAL 23 N 5.10 1.20 -0.89 1.11 2.07 -1.61 -2.01 116.25 121.23 3kw3 h VAL 23 Ca 0.19 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kw3 h VAL 23 Cb 0.97 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3kw3 h VAL 23 CO 1.06 0.20 0.59 0.03 0.02 0.00 0.00 177.57 179.46 3kw3 h ARG 24 N 1.09 1.10 -0.31 1.57 3.08 -1.82 -0.09 114.38 119.00 3kw3 h ARG 24 Ca 0.30 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 3kw3 h ARG 24 Cb -0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.67 3kw3 h ARG 24 CO -0.07 0.73 -0.32 0.00 -1.07 0.00 0.00 179.97 179.24 3kw3 h ALA 25 N 1.47 0.86 -0.40 0.04 0.00 -1.71 -0.56 119.26 118.97 3kw3 h ALA 25 Ca 0.35 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kw3 h ALA 25 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kw3 h ALA 25 CO -0.10 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.75 3kw3 h ILE 26 N 0.56 1.20 -0.79 0.00 2.04 -0.70 0.89 117.51 120.72 3kw3 h ILE 26 Ca 0.06 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3kw3 h ILE 26 Cb 0.83 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3kw3 h ILE 26 CO 0.07 0.23 0.46 0.58 0.00 0.00 0.00 178.15 179.49 3kw3 h VAL 27 N 0.50 1.23 -0.54 1.67 2.07 -0.97 0.21 116.25 120.42 3kw3 h VAL 27 Ca 0.13 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 3kw3 h VAL 27 Cb 0.21 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3kw3 h VAL 27 CO -0.01 0.24 -0.06 0.00 0.02 0.00 0.00 177.57 177.77 3kw3 h ALA 28 N 1.41 0.73 -0.40 1.67 0.00 -0.69 -0.08 119.26 121.90 3kw3 h ALA 28 Ca 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kw3 h ALA 28 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kw3 h ALA 28 CO -0.05 0.61 0.19 -0.91 0.00 0.00 0.00 179.25 179.09 3kw3 h ASN 29 N 0.87 0.53 -0.21 0.00 2.35 -0.22 -0.62 115.58 118.27 3kw3 h ASN 29 Ca 0.15 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3kw3 h ASN 29 Cb 0.62 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 3kw3 h ASN 29 CO 0.04 0.51 -0.02 0.22 -1.65 0.00 0.00 177.43 176.53 3kw3 h TYR 30 N 0.51 -0.04 -0.99 1.19 3.20 -0.79 -0.71 116.97 119.34 3kw3 h TYR 30 Ca 0.14 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3kw3 h TYR 30 Cb 0.12 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 3kw3 h TYR 30 CO -0.01 -0.05 0.65 0.00 -1.64 0.00 0.00 178.16 177.11 3kw3 h ARG 31 N 0.05 1.26 -0.03 1.82 2.47 -0.81 0.10 114.38 119.24 3kw3 h ARG 31 Ca 0.10 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3kw3 h ARG 31 Cb 0.14 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 3kw3 h ARG 31 CO -0.19 0.83 -0.01 1.15 0.56 0.00 0.00 179.97 182.32 3kw3 h THR 32 N 1.30 0.96 -0.60 2.04 2.02 -0.79 -0.77 112.91 117.07 3kw3 h THR 32 Ca 0.37 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.47 3kw3 h THR 32 Cb -0.09 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3kw3 h THR 32 CO -0.10 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.77 3kw3 h LEU 33 N -0.00 1.00 -0.58 2.58 3.38 -0.67 -0.49 115.31 120.53 3kw3 h LEU 33 Ca 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3kw3 h LEU 33 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3kw3 h LEU 33 CO -0.03 1.04 0.32 0.00 0.09 0.00 0.00 178.44 179.86 3kw3 h ALA 34 N 1.00 0.75 -0.41 1.53 0.00 -0.68 -1.67 119.26 119.78 3kw3 h ALA 34 Ca 0.18 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3kw3 h ALA 34 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kw3 h ALA 34 CO 0.02 0.27 -0.15 1.96 0.00 0.00 0.00 179.25 181.35 3kw3 h GLN 35 N 0.79 0.82 -0.95 0.00 4.20 -1.10 -0.94 115.11 117.94 3kw3 h GLN 35 Ca 0.21 -0.34 0.15 0.00 0.06 0.00 0.00 58.65 58.72 3kw3 h GLN 35 Cb 0.04 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 3kw3 h GLN 35 CO -0.03 0.97 0.60 1.25 -0.67 0.00 0.00 178.83 180.95 3kw3 h HIS 36 N 0.63 0.95 0.00 2.96 2.76 -0.79 -3.19 115.15 118.47 3kw3 h HIS 36 Ca 0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3kw3 h HIS 36 Cb 0.70 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.36 3kw3 h HIS 36 CO 0.05 0.33 -1.84 1.33 -1.30 0.00 0.00 177.93 176.50 3kw3 n VAL 37 N -4.61 0.09 -1.32 5.26 0.24 -0.65 -5.01 118.33 112.33 3kw3 n VAL 37 Ca 0.19 -0.51 -0.48 0.00 -2.04 0.00 0.00 64.34 61.51 3kw3 n VAL 37 Cb 0.46 -0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.74 3kw3 n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kw3 n ALA 38 N -2.24 -2.96 0.19 2.33 0.00 -0.37 -1.75 120.51 115.71 3kw3 n ALA 38 Ca -0.03 0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.90 3kw3 n ALA 38 Cb 0.57 -1.53 0.20 0.00 0.00 0.00 0.00 19.45 18.68 3kw3 n ALA 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kw3 n PRO 39 N 1.07 2.76 -2.08 0.00 -0.04 -1.26 -5.07 135.00 130.39 3kw3 n PRO 39 Ca 0.17 -1.54 -0.40 0.00 -0.04 0.00 0.00 63.50 61.69 3kw3 n PRO 39 Cb 0.18 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 31.86 3kw3 n PRO 39 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3kw3 s THR 40 N -1.82 2.68 0.23 0.52 2.01 -0.72 -5.00 115.64 113.54 3kw3 s THR 40 Ca 0.27 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 3kw3 s THR 40 Cb 0.19 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 3kw3 s THR 40 CO 0.10 0.10 1.00 -0.70 -0.69 0.00 0.00 174.62 174.42 3kw3 s GLU 41 N -2.17 4.76 -0.31 4.92 2.12 -0.97 -4.83 118.70 122.23 3kw3 s GLU 41 Ca 0.55 1.59 -0.09 0.00 0.36 0.00 0.00 54.97 57.38 3kw3 s GLU 41 Cb -0.38 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 3kw3 s GLU 41 CO 0.49 0.36 0.15 0.00 -0.54 0.00 0.00 175.26 175.72 3kw3 n SER 43 N 4.97 0.39 -3.97 0.00 3.41 -0.77 -4.68 113.62 112.98 3kw3 n SER 43 Ca -0.14 -1.56 -0.21 0.00 -0.26 0.00 0.00 58.87 56.70 3kw3 n SER 43 Cb 0.49 -0.74 -0.16 0.00 -0.26 0.00 0.00 64.21 63.54 3kw3 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kw3 s ALA 44 N -3.71 0.90 -0.37 7.33 0.00 -0.48 -4.32 121.76 121.11 3kw3 s ALA 44 Ca 0.60 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 3kw3 s ALA 44 Cb -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3kw3 s ALA 44 CO 0.41 0.08 0.36 0.08 0.00 0.00 0.00 175.76 176.70 3kw3 s VAL 45 N 0.57 5.17 -0.41 0.00 1.01 -0.70 -1.49 120.40 124.55 3kw3 s VAL 45 Ca -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3kw3 s VAL 45 Cb -0.13 -3.88 0.13 0.00 0.00 0.00 0.00 36.38 32.50 3kw3 s VAL 45 CO 0.01 -0.19 0.20 0.68 0.00 0.00 0.00 175.10 175.80 3kw3 s VAL 46 N 1.98 1.44 0.00 2.92 -7.23 -0.16 -4.60 120.40 114.75 3kw3 s VAL 46 Ca 0.11 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 57.92 3kw3 s VAL 46 Cb -0.17 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.74 3kw3 s VAL 46 CO 0.12 -0.82 0.00 0.00 -0.31 0.00 0.00 175.10 174.09 3kw3 n ALA 48 N 3.84 -0.94 -3.58 1.32 0.00 -1.26 -0.59 120.51 119.29 3kw3 n ALA 48 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 3kw3 n ALA 48 Cb 0.36 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.89 3kw3 n ALA 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kw3 n ASN 49 N 0.29 -4.14 -3.48 0.00 5.15 -1.26 -1.09 115.26 110.73 3kw3 n ASN 49 Ca 0.00 -0.62 -0.19 0.00 -0.60 0.00 0.00 54.58 53.16 3kw3 n ASN 49 Cb 0.00 -4.85 0.06 0.00 -0.53 0.00 0.00 39.78 34.46 3kw3 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kw3 n ALA 50 N -4.59 -2.24 -3.78 5.20 0.00 0.24 -1.23 120.51 114.12 3kw3 n ALA 50 Ca -0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 3kw3 n ALA 50 Cb 0.61 -3.60 0.01 0.00 0.00 0.00 0.00 19.45 16.47 3kw3 n ALA 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kw3 n TYR 51 N -3.89 -2.06 -0.31 0.00 4.02 -1.05 -1.42 117.16 112.45 3kw3 n TYR 51 Ca -0.20 0.76 0.00 0.00 -0.01 0.00 0.00 57.90 58.45 3kw3 n TYR 51 Cb 0.65 -3.57 0.00 0.00 -0.02 0.00 0.00 39.34 36.39 3kw3 n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kw3 n GLY 52 N -1.50 1.20 0.04 2.72 0.00 -0.25 -3.43 105.19 103.97 3kw3 n GLY 52 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3kw3 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kw3 n LEU 53 N 0.00 0.62 0.00 0.99 4.77 -0.51 -4.87 117.00 118.01 3kw3 n LEU 53 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3kw3 n LEU 53 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3kw3 n LEU 53 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3kw3 n GLY 54 N 1.35 0.97 0.28 -0.72 0.00 -0.36 -4.92 105.19 101.77 3kw3 n GLY 54 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.50 3kw3 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kw3 h ALA 55 N 0.00 1.81 0.00 4.61 0.00 -1.85 -1.58 119.26 122.25 3kw3 h ALA 55 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kw3 h ALA 55 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kw3 h ALA 55 CO 0.00 0.16 -0.02 1.12 0.00 0.00 0.00 179.25 180.51 3kw3 h HIS 56 N 0.25 0.00 0.00 0.00 2.07 -1.95 -1.69 115.15 113.82 3kw3 h HIS 56 Ca 0.07 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.21 3kw3 h HIS 56 Cb 0.03 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.94 3kw3 h HIS 56 CO 0.00 0.02 -2.41 1.63 -3.07 0.00 0.00 177.93 174.10 3kw3 n LYS 57 N -3.52 0.65 -0.03 5.12 4.76 -0.92 -4.53 118.16 119.69 3kw3 n LYS 57 Ca -0.03 0.12 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 3kw3 n LYS 57 Cb 0.11 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.69 3kw3 n LYS 57 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3kw3 h ILE 58 N 0.00 1.51 -0.63 -0.18 2.04 -1.14 -3.04 117.51 116.07 3kw3 h ILE 58 Ca -0.55 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 63.46 3kw3 h ILE 58 Cb 1.91 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 40.59 3kw3 h ILE 58 CO -0.07 0.51 0.35 0.00 0.00 0.00 0.00 178.15 178.93 3kw3 h ALA 59 N 0.31 0.81 -0.13 1.87 0.00 -1.56 -0.00 119.26 120.56 3kw3 h ALA 59 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3kw3 h ALA 59 Cb 0.96 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kw3 h ALA 59 CO 0.05 0.32 -0.16 -1.35 0.00 0.00 0.00 179.25 178.10 3kw3 h PRO 60 N 0.86 0.21 -0.16 0.00 0.11 -1.76 -0.80 132.00 130.46 3kw3 h PRO 60 Ca 0.22 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3kw3 h PRO 60 Cb 0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 3kw3 h PRO 60 CO -0.04 0.37 -0.24 0.00 -0.21 0.00 0.00 178.00 177.88 3kw3 h ALA 61 N 1.64 0.24 -0.83 -0.75 0.00 -1.24 -1.22 119.26 117.10 3kw3 h ALA 61 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3kw3 h ALA 61 Cb 0.41 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3kw3 h ALA 61 CO 0.03 0.21 0.51 -0.07 0.00 0.00 0.00 179.25 179.93 3kw3 h LEU 62 N 0.07 0.79 -0.49 0.00 3.38 -0.95 -2.12 115.31 115.99 3kw3 h LEU 62 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kw3 h LEU 62 Cb 0.82 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3kw3 h LEU 62 CO 0.06 0.50 0.31 0.22 0.09 0.00 0.00 178.44 179.62 3kw3 h TYR 63 N 0.92 0.64 0.00 1.13 3.20 -0.96 -0.95 116.97 120.95 3kw3 h TYR 63 Ca 0.36 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 3kw3 h TYR 63 Cb 0.18 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3kw3 h TYR 63 CO -0.04 0.43 -0.01 1.96 -1.64 0.00 0.00 178.16 178.85 3kw3 h GLN 64 N 0.66 0.00 -0.02 1.82 1.08 -0.94 -0.83 115.11 116.88 3kw3 h GLN 64 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3kw3 h GLN 64 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3kw3 h GLN 64 CO -0.04 0.01 -0.07 0.00 -0.95 0.00 0.00 178.83 177.78 3kw3 n ALA 65 N -2.11 2.70 0.00 3.87 0.00 -0.47 -4.94 120.51 119.57 3kw3 n ALA 65 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3kw3 n ALA 65 Cb 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3kw3 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kw3 n GLY 66 N 1.25 0.86 3.74 0.00 0.00 -0.32 -4.93 105.19 105.79 3kw3 n GLY 66 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kw3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kw3 n ARG 68 N 2.46 3.87 -4.94 0.00 5.12 -1.26 -4.27 116.66 117.64 3kw3 n ARG 68 Ca 0.06 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.68 3kw3 n ARG 68 Cb 0.43 -0.37 -0.17 0.00 -1.16 0.00 0.00 32.46 31.19 3kw3 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kw3 s THR 69 N -0.67 1.73 -0.02 0.55 2.01 -1.26 -0.57 115.64 117.40 3kw3 s THR 69 Ca 0.00 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.20 3kw3 s THR 69 Cb 0.00 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.99 3kw3 s THR 69 CO 0.00 0.49 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.97 3kw3 s PHE 70 N 0.52 0.87 -0.14 4.92 0.08 0.32 -1.38 117.98 123.17 3kw3 s PHE 70 Ca -0.16 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 3kw3 s PHE 70 Cb -0.17 -0.63 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 3kw3 s PHE 70 CO 0.06 -0.09 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.94 3kw3 s PHE 71 N 0.21 2.91 0.37 0.36 0.08 -0.56 -0.40 117.98 120.95 3kw3 s PHE 71 Ca -0.03 -0.49 0.04 0.00 0.12 0.00 0.00 56.93 56.58 3kw3 s PHE 71 Cb -0.08 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.41 3kw3 s PHE 71 CO 0.00 -0.13 0.05 0.14 -0.10 0.00 0.00 175.22 175.18 3kw3 s VAL 72 N 0.36 1.29 -0.16 -0.44 -7.23 -0.33 -0.99 120.40 112.88 3kw3 s VAL 72 Ca -0.08 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.95 3kw3 s VAL 72 Cb -0.15 -2.74 -0.23 0.00 0.56 0.00 0.00 36.38 33.82 3kw3 s VAL 72 CO 0.04 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 175.11 3kw3 n ALA 73 N -0.82 0.84 -2.44 1.32 0.00 -1.26 -0.70 120.51 117.46 3kw3 n ALA 73 Ca -0.04 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 3kw3 n ALA 73 Cb 0.67 -0.61 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 3kw3 n ALA 73 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kw3 s GLN 74 N -2.47 1.38 0.30 0.00 -1.52 -1.26 -3.09 119.66 113.01 3kw3 s GLN 74 Ca -0.26 -1.48 0.01 0.00 -1.95 0.00 0.00 55.36 51.68 3kw3 s GLN 74 Cb 0.06 -1.49 0.53 0.00 -0.22 0.00 0.00 33.01 31.90 3kw3 s GLN 74 CO 0.68 0.30 1.92 0.82 -0.25 0.00 0.00 175.29 178.76 3kw3 h ILE 75 N 3.11 1.08 -0.38 1.08 2.04 -1.97 -1.06 117.51 121.42 3kw3 h ILE 75 Ca -0.43 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 3kw3 h ILE 75 Cb 1.21 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3kw3 h ILE 75 CO 0.52 0.19 -0.01 -0.33 0.00 0.00 0.00 178.15 178.52 3kw3 h GLU 76 N 1.03 0.60 -0.25 2.37 5.08 -1.99 -0.63 114.58 120.77 3kw3 h GLU 76 Ca 0.38 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3kw3 h GLU 76 Cb 0.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kw3 h GLU 76 CO -0.14 0.62 -0.29 0.93 -1.00 0.00 0.00 179.01 179.14 3kw3 h GLU 77 N 0.57 0.50 -0.29 2.33 5.08 -1.63 -1.81 114.58 119.33 3kw3 h GLU 77 Ca 0.12 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 3kw3 h GLU 77 Cb 0.37 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3kw3 h GLU 77 CO 0.01 0.74 -0.50 0.00 -1.00 0.00 0.00 179.01 178.26 3kw3 h ALA 78 N 1.26 0.56 -0.50 3.43 0.00 -0.66 -2.77 119.26 120.58 3kw3 h ALA 78 Ca 0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3kw3 h ALA 78 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kw3 h ALA 78 CO 0.06 0.68 -0.08 -0.07 0.00 0.00 0.00 179.25 179.84 3kw3 h LEU 79 N 0.64 0.89 -0.25 0.00 3.38 -0.99 -0.86 115.31 118.12 3kw3 h LEU 79 Ca 0.03 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3kw3 h LEU 79 Cb 1.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3kw3 h LEU 79 CO 0.11 0.99 0.04 -0.61 0.09 0.00 0.00 178.44 179.06 3kw3 h GLN 80 N 0.82 0.12 -0.35 1.13 4.15 -1.30 -2.19 115.11 117.49 3kw3 h GLN 80 Ca 0.14 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.58 3kw3 h GLN 80 Cb 0.59 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3kw3 h GLN 80 CO 0.04 0.08 0.16 -0.07 -1.93 0.00 0.00 178.83 177.11 3kw3 h LEU 81 N 0.13 0.23 -1.28 -2.39 3.38 -1.17 -2.19 115.31 112.01 3kw3 h LEU 81 Ca 0.11 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.30 3kw3 h LEU 81 Cb 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3kw3 h LEU 81 CO -0.16 0.17 0.61 0.11 0.09 0.00 0.00 178.44 179.26 3kw3 h LYS 82 N 0.34 0.58 0.00 1.13 1.79 -0.82 0.15 116.57 119.73 3kw3 h LYS 82 Ca 0.15 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.50 3kw3 h LYS 82 Cb 0.08 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 3kw3 h LYS 82 CO -0.12 0.38 -0.40 0.00 -1.08 0.00 0.00 179.45 178.23 3kw3 h ALA 83 N 1.62 0.90 -0.01 3.86 0.00 -0.80 -3.30 119.26 121.52 3kw3 h ALA 83 Ca 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kw3 h ALA 83 Cb 1.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kw3 h ALA 83 CO -0.26 0.51 -0.06 1.33 0.00 0.00 0.00 179.25 180.76 3kw3 n VAL 84 N -3.44 0.00 -4.37 0.00 0.24 -0.38 -5.00 118.33 105.38 3kw3 n VAL 84 Ca 0.00 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.56 3kw3 n VAL 84 Cb 0.56 1.22 -0.11 0.00 -1.47 0.00 0.00 33.84 34.05 3kw3 n VAL 84 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kw3 s LEU 85 N -1.20 2.60 1.30 1.34 1.43 -0.10 -4.65 118.68 119.39 3kw3 s LEU 85 Ca 0.13 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 3kw3 s LEU 85 Cb 0.10 -1.35 0.33 0.00 0.03 0.00 0.00 46.19 45.29 3kw3 s LEU 85 CO 0.19 0.13 0.98 -2.84 0.23 0.00 0.00 176.35 175.04 3kw3 s PRO 86 N -2.59 -1.95 0.27 1.29 0.02 -1.26 -4.85 135.00 125.94 3kw3 s PRO 86 Ca 0.21 0.48 0.08 0.00 0.02 0.00 0.00 61.00 61.79 3kw3 s PRO 86 Cb -0.09 -1.46 0.37 0.00 0.02 0.00 0.00 34.50 33.34 3kw3 s PRO 86 CO 0.11 -4.31 1.62 1.05 -0.33 0.00 0.00 177.00 175.14 3kw3 h GLU 87 N -3.03 0.11 -1.99 5.54 9.09 -2.00 -3.34 114.58 118.96 3kw3 h GLU 87 Ca -0.54 -0.07 -0.18 0.00 0.05 0.00 0.00 59.36 58.62 3kw3 h GLU 87 Cb 1.34 0.01 -0.07 0.00 -1.65 0.00 0.00 28.75 28.38 3kw3 h GLU 87 CO 0.41 0.64 -0.22 0.27 0.05 0.00 0.00 179.01 180.16 3kw3 n ASN 88 N -3.88 5.40 -4.37 3.06 6.94 -1.26 -4.83 115.26 116.32 3kw3 n ASN 88 Ca -0.02 -2.54 -0.24 0.00 -0.02 0.00 0.00 54.58 51.76 3kw3 n ASN 88 Cb 0.58 -1.34 -0.11 0.00 -2.36 0.00 0.00 39.78 36.55 3kw3 n ASN 88 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3kw3 s VAL 89 N 0.44 2.03 -0.22 3.53 -7.23 -1.26 -4.94 120.40 112.76 3kw3 s VAL 89 Ca 0.52 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.63 3kw3 s VAL 89 Cb 0.26 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3kw3 s VAL 89 CO -0.02 -0.25 0.09 -0.32 -0.31 0.00 0.00 175.10 174.29 3kw3 s MET 90 N -2.78 3.88 -0.23 4.82 1.75 0.26 -5.03 119.30 121.97 3kw3 s MET 90 Ca 0.18 -0.38 -0.00 0.00 -1.25 0.00 0.00 55.69 54.24 3kw3 s MET 90 Cb -0.06 -3.33 0.03 0.00 2.84 0.00 0.00 34.83 34.30 3kw3 s MET 90 CO 0.08 0.05 -0.11 0.42 -0.65 0.00 0.00 175.02 174.81 3kw3 s ILE 91 N 1.01 2.57 0.12 10.11 1.01 -1.26 -0.52 121.20 134.24 3kw3 s ILE 91 Ca 0.05 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 59.75 3kw3 s ILE 91 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3kw3 s ILE 91 CO 0.03 0.30 -0.15 0.00 0.00 0.00 0.00 174.94 175.12 3kw3 s ALA 92 N 1.30 2.79 -0.33 9.38 0.00 0.46 -1.10 121.76 134.26 3kw3 s ALA 92 Ca 0.01 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 3kw3 s ALA 92 Cb -0.16 -0.73 0.08 0.00 0.00 0.00 0.00 23.12 22.31 3kw3 s ALA 92 CO -0.07 0.60 0.06 -1.17 0.00 0.00 0.00 175.76 175.18 3kw3 s LEU 93 N -2.21 4.42 0.24 0.00 2.96 0.52 -1.19 118.68 123.42 3kw3 s LEU 93 Ca 0.20 -1.70 -0.06 0.00 -0.22 0.00 0.00 54.13 52.35 3kw3 s LEU 93 Cb -0.11 -1.71 0.24 0.00 0.50 0.00 0.00 46.19 45.12 3kw3 s LEU 93 CO 0.12 -0.36 1.84 -0.07 -1.32 0.00 0.00 176.35 176.56 3kw3 h LEU 94 N 7.90 1.06 -0.69 -0.68 3.38 -1.04 -1.48 115.31 123.77 3kw3 h LEU 94 Ca -0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kw3 h LEU 94 Cb 1.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kw3 h LEU 94 CO 0.57 0.89 0.00 0.59 0.09 0.00 0.00 178.44 180.58 3kw3 n ASN 95 N -4.31 1.04 -0.73 -0.43 3.02 -1.18 -4.74 115.26 107.93 3kw3 n ASN 95 Ca 0.08 -1.53 0.04 0.00 -0.03 0.00 0.00 54.58 53.15 3kw3 n ASN 95 Cb 0.14 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 3kw3 n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kw3 n GLY 96 N 1.04 -1.60 3.74 7.41 0.00 -0.64 -4.73 105.19 110.41 3kw3 n GLY 96 Ca 0.17 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 3kw3 n GLY 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kw3 s PHE 97 N -0.62 3.68 1.12 1.61 -0.12 -1.26 -4.91 117.98 117.48 3kw3 s PHE 97 Ca 0.00 1.68 -0.15 0.00 -0.05 0.00 0.00 56.93 58.41 3kw3 s PHE 97 Cb 0.00 -3.20 0.25 0.00 -0.63 0.00 0.00 43.02 39.44 3kw3 s PHE 97 CO 0.00 -0.32 1.07 -1.25 -0.05 0.00 0.00 175.22 174.67 3kw3 s PRO 98 N -0.44 -0.56 -0.13 1.99 0.04 -1.26 -4.86 135.00 129.78 3kw3 s PRO 98 Ca 0.48 0.37 -0.38 0.00 0.04 0.00 0.00 61.00 61.50 3kw3 s PRO 98 Cb -0.28 -1.63 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 3kw3 s PRO 98 CO 0.34 -3.36 1.62 1.58 0.04 0.00 0.00 177.00 177.21 3kw3 n HIS 99 N -4.59 1.90 -1.00 0.56 -0.00 -1.26 -1.42 115.22 109.40 3kw3 n HIS 99 Ca 0.07 0.52 -0.00 0.00 -0.00 0.00 0.00 57.72 58.31 3kw3 n HIS 99 Cb 0.58 -2.43 -0.00 0.00 -0.00 0.00 0.00 29.99 28.13 3kw3 n HIS 99 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3kw3 n LYS 100 N 4.46 -1.20 -0.19 1.57 5.02 -1.26 -4.87 118.16 121.69 3kw3 n LYS 100 Ca 0.23 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.94 3kw3 n LYS 100 Cb 0.17 -4.22 0.26 0.00 -0.02 0.00 0.00 35.03 31.22 3kw3 n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kw3 n ALA 101 N 1.00 2.44 0.09 7.82 0.00 -0.51 -4.60 120.51 126.75 3kw3 n ALA 101 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 53.44 52.57 3kw3 n ALA 101 Cb 0.30 -0.94 0.41 0.00 0.00 0.00 0.00 19.45 19.22 3kw3 n ALA 101 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kw3 h GLU 102 N 3.78 0.33 -0.30 0.00 9.09 -1.90 -2.61 114.58 122.98 3kw3 h GLU 102 Ca 0.00 -0.05 -0.13 0.00 0.05 0.00 0.00 59.36 59.23 3kw3 h GLU 102 Cb 0.84 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3kw3 h GLU 102 CO 0.00 0.36 -0.32 1.49 0.05 0.00 0.00 179.01 180.60 3kw3 h GLU 103 N 0.32 0.74 -0.62 1.06 4.81 -1.98 -1.28 114.58 117.63 3kw3 h GLU 103 Ca 0.07 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3kw3 h GLU 103 Cb 0.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3kw3 h GLU 103 CO 0.01 1.02 0.37 0.35 -0.73 0.00 0.00 179.01 180.02 3kw3 h PHE 104 N 0.49 0.82 -0.25 0.92 3.57 -1.85 -1.63 116.94 119.01 3kw3 h PHE 104 Ca 0.04 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3kw3 h PHE 104 Cb 0.89 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3kw3 h PHE 104 CO 0.07 0.55 -0.04 0.28 -2.23 0.00 0.00 178.31 176.95 3kw3 h VAL 105 N 0.86 1.27 -0.73 1.41 2.07 -1.10 -1.93 116.25 118.09 3kw3 h VAL 105 Ca 0.22 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3kw3 h VAL 105 Cb -0.02 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3kw3 h VAL 105 CO -0.04 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.13 3kw3 h ALA 106 N 0.78 0.96 -0.02 1.67 0.00 -1.09 -2.44 119.26 119.13 3kw3 h ALA 106 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3kw3 h ALA 106 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kw3 h ALA 106 CO 0.02 0.61 -0.48 1.96 0.00 0.00 0.00 179.25 181.35 3kw3 h GLN 107 N 1.07 0.04 0.00 0.00 1.08 -1.18 -2.21 115.11 113.91 3kw3 h GLN 107 Ca 0.24 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3kw3 h GLN 107 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3kw3 h GLN 107 CO -0.01 0.51 0.00 0.43 -0.95 0.00 0.00 178.83 178.81 3kw3 n SER 108 N -3.97 0.00 -0.65 1.46 7.64 -0.74 -4.93 113.62 112.43 3kw3 n SER 108 Ca -0.02 0.35 -0.08 0.00 1.01 0.00 0.00 58.87 60.14 3kw3 n SER 108 Cb 0.50 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3kw3 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kw3 n GLY 109 N 1.21 0.83 3.79 0.23 0.00 -0.83 -5.02 105.19 105.40 3kw3 n GLY 109 Ca 0.08 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3kw3 n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kw3 s ILE 110 N -2.31 4.64 -0.47 -0.61 1.01 -0.94 -4.74 121.20 117.79 3kw3 s ILE 110 Ca 0.00 1.39 -0.19 0.00 0.00 0.00 0.00 60.65 61.84 3kw3 s ILE 110 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.53 3kw3 s ILE 110 CO 0.00 0.52 0.60 -0.63 0.00 0.00 0.00 174.94 175.43 3kw3 s ILE 111 N -0.98 4.90 0.29 2.92 1.09 -0.26 -4.45 121.20 124.71 3kw3 s ILE 111 Ca 0.32 -0.27 -0.24 0.00 -1.10 0.00 0.00 60.65 59.36 3kw3 s ILE 111 Cb -0.20 -4.22 -0.09 0.00 -1.06 0.00 0.00 42.46 36.88 3kw3 s ILE 111 CO 0.21 -0.67 0.87 -2.16 -0.10 0.00 0.00 174.94 173.09 3kw3 s PRO 112 N 2.61 4.46 0.09 2.79 0.04 -1.26 -0.35 135.00 143.38 3kw3 s PRO 112 Ca 0.17 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 3kw3 s PRO 112 Cb -0.17 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 3kw3 s PRO 112 CO 0.15 0.31 1.11 -0.51 0.04 0.00 0.00 177.00 178.10 3kw3 s LEU 113 N -2.06 4.42 -0.38 -3.56 1.02 -0.70 -0.50 118.68 116.92 3kw3 s LEU 113 Ca 0.48 1.96 -0.09 0.00 0.02 0.00 0.00 54.13 56.51 3kw3 s LEU 113 Cb -0.18 -3.59 0.05 0.00 0.02 0.00 0.00 46.19 42.50 3kw3 s LEU 113 CO 0.23 -0.33 0.20 -0.76 0.02 0.00 0.00 176.35 175.70 3kw3 s LEU 114 N 0.51 4.77 0.00 1.79 1.43 0.19 -3.70 118.68 123.67 3kw3 s LEU 114 Ca 0.54 -1.25 0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3kw3 s LEU 114 Cb -0.28 -1.96 0.23 0.00 0.03 0.00 0.00 46.19 44.21 3kw3 s LEU 114 CO 0.31 -0.43 1.10 0.59 0.23 0.00 0.00 176.35 178.15 3kw3 n ASN 115 N 4.90 2.56 -3.77 2.29 3.02 -1.26 -1.93 115.26 121.09 3kw3 n ASN 115 Ca -0.11 -1.77 -0.09 0.00 -0.03 0.00 0.00 54.58 52.58 3kw3 n ASN 115 Cb 0.44 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 3kw3 n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kw3 s SER 116 N -1.03 -0.25 0.09 6.41 1.04 -1.26 -3.05 113.70 115.66 3kw3 s SER 116 Ca 0.21 -0.52 -0.19 0.00 0.48 0.00 0.00 55.95 55.92 3kw3 s SER 116 Cb 0.12 0.59 -0.08 0.00 0.10 0.00 0.00 66.02 66.76 3kw3 s SER 116 CO 0.17 -1.09 1.59 -0.25 0.98 0.00 0.00 173.24 174.65 3kw3 h TRP 117 N 2.18 0.39 -0.08 5.02 2.91 -1.93 -1.53 115.95 122.91 3kw3 h TRP 117 Ca -0.28 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.67 3kw3 h TRP 117 Cb 1.26 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.79 3kw3 h TRP 117 CO 0.36 0.45 -0.09 0.66 -1.03 0.00 0.00 178.44 178.80 3kw3 h SER 118 N 0.21 0.10 1.31 2.65 4.64 -1.99 0.16 113.55 120.64 3kw3 h SER 118 Ca 0.07 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3kw3 h SER 118 Cb 0.26 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3kw3 h SER 118 CO -0.00 0.21 -0.67 0.71 -0.87 0.00 0.00 176.83 176.22 3kw3 h THR 119 N 0.11 1.15 -0.11 2.95 1.35 -1.92 -1.38 112.91 115.06 3kw3 h THR 119 Ca 0.03 -2.61 -0.01 0.00 -0.55 0.00 0.00 66.41 63.27 3kw3 h THR 119 Cb 0.23 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3kw3 h THR 119 CO 0.01 0.65 0.05 0.40 -0.25 0.00 0.00 175.52 176.38 3kw3 h ILE 120 N 0.00 1.14 -0.46 6.82 2.04 -0.16 -1.56 117.51 125.33 3kw3 h ILE 120 Ca -0.01 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3kw3 h ILE 120 Cb 1.50 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 3kw3 h ILE 120 CO 0.09 0.13 0.19 -0.33 0.00 0.00 0.00 178.15 178.22 3kw3 h GLU 121 N 0.03 0.37 -0.79 2.37 5.08 -0.67 -0.08 114.58 120.90 3kw3 h GLU 121 Ca 0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3kw3 h GLU 121 Cb 0.16 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3kw3 h GLU 121 CO -0.00 0.25 0.37 -0.44 -1.00 0.00 0.00 179.01 178.19 3kw3 h ASP 122 N 0.39 1.03 -0.17 1.42 3.32 -1.21 -0.83 116.42 120.36 3kw3 h ASP 122 Ca 0.21 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3kw3 h ASP 122 Cb 0.18 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3kw3 h ASP 122 CO -0.19 0.88 -0.23 -0.25 -1.72 0.00 0.00 179.24 177.73 3kw3 h TRP 123 N 1.12 0.55 -0.72 4.55 2.91 -0.75 -2.49 115.95 121.13 3kw3 h TRP 123 Ca 0.27 -0.18 0.07 0.00 1.13 0.00 0.00 58.89 60.18 3kw3 h TRP 123 Cb 0.12 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.60 3kw3 h TRP 123 CO 0.01 0.86 0.40 0.37 -1.03 0.00 0.00 178.44 179.06 3kw3 h GLN 124 N 0.09 0.71 -0.58 2.65 4.15 -0.84 -1.42 115.11 119.88 3kw3 h GLN 124 Ca 0.02 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.42 3kw3 h GLN 124 Cb 0.79 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 3kw3 h GLN 124 CO 0.05 0.47 0.35 1.15 -1.93 0.00 0.00 178.83 178.92 3kw3 h THR 125 N 0.73 1.07 0.34 2.39 2.02 -1.03 0.12 112.91 118.54 3kw3 h THR 125 Ca 0.33 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3kw3 h THR 125 Cb 0.23 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3kw3 h THR 125 CO -0.20 0.13 -0.16 0.25 0.37 0.00 0.00 175.52 175.90 3kw3 h LEU 126 N 0.70 -0.39 -0.42 2.58 5.85 -1.05 0.42 115.31 123.00 3kw3 h LEU 126 Ca 0.23 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3kw3 h LEU 126 Cb 0.01 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3kw3 h LEU 126 CO -0.10 -0.24 0.15 0.00 -0.34 0.00 0.00 178.44 177.92 3kw3 h GLN 128 N 0.32 -0.13 -0.55 0.00 5.75 -0.73 -0.22 115.11 119.55 3kw3 h GLN 128 Ca 0.20 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.79 3kw3 h GLN 128 Cb 0.18 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.70 3kw3 h GLN 128 CO -0.20 -0.09 0.18 0.87 -2.65 0.00 0.00 178.83 176.95 3kw3 h LYS 129 N -0.13 0.35 -0.02 1.69 1.57 -0.58 -2.91 116.57 116.53 3kw3 h LYS 129 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kw3 h LYS 129 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3kw3 h LYS 129 CO -0.10 0.23 -0.12 1.63 -0.57 0.00 0.00 179.45 180.52 3kw3 n LYS 130 N -5.02 1.71 -4.08 3.15 5.02 -0.63 -4.96 118.16 113.35 3kw3 n LYS 130 Ca 0.07 -1.25 -0.29 0.00 -2.02 0.00 0.00 58.31 54.82 3kw3 n LYS 130 Cb 0.24 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 3kw3 n LYS 130 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kw3 n ASN 131 N 0.45 -0.82 -3.87 4.39 4.13 -0.13 -4.97 115.26 114.43 3kw3 n ASN 131 Ca 0.15 -1.05 -0.20 0.00 1.68 0.00 0.00 54.58 55.16 3kw3 n ASN 131 Cb 0.46 -2.74 -0.16 0.00 -1.54 0.00 0.00 39.78 35.80 3kw3 n ASN 131 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3kw3 s LYS 132 N -6.78 0.73 -1.44 3.52 2.20 -0.99 -5.06 119.74 111.93 3kw3 s LYS 132 Ca 0.18 -0.06 -0.14 0.00 -0.36 0.00 0.00 55.97 55.58 3kw3 s LYS 132 Cb -0.10 -0.79 0.04 0.00 -1.51 0.00 0.00 37.83 35.47 3kw3 s LYS 132 CO 0.92 -0.10 2.20 1.63 -0.36 0.00 0.00 175.35 179.64 3kw3 n LYS 133 N 4.12 2.83 -1.72 4.03 5.02 -1.26 -4.50 118.16 126.69 3kw3 n LYS 133 Ca -0.24 -2.61 -0.43 0.00 -2.02 0.00 0.00 58.31 53.01 3kw3 n LYS 133 Cb 0.51 -3.29 -0.02 0.00 -0.02 0.00 0.00 35.03 32.20 3kw3 n LYS 133 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3kw3 n PHE 134 N 6.24 2.64 -2.56 2.13 3.72 -1.26 -3.06 117.46 125.31 3kw3 n PHE 134 Ca 0.52 0.25 -0.39 0.00 -0.05 0.00 0.00 57.45 57.79 3kw3 n PHE 134 Cb 0.39 -2.58 -0.05 0.00 -0.94 0.00 0.00 39.48 36.31 3kw3 n PHE 134 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3kw3 s PRO 135 N -0.06 4.49 0.26 -1.08 0.04 -1.26 -2.46 135.00 134.94 3kw3 s PRO 135 Ca 0.68 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 3kw3 s PRO 135 Cb -0.55 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3kw3 s PRO 135 CO 0.45 0.13 0.55 0.00 0.04 0.00 0.00 177.00 178.17 3kw3 s ALA 136 N -1.38 -0.55 -0.00 8.56 0.00 -0.76 -4.15 121.76 123.48 3kw3 s ALA 136 Ca 0.49 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3kw3 s ALA 136 Cb -0.26 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3kw3 s ALA 136 CO 0.33 -0.91 -0.16 0.42 0.00 0.00 0.00 175.76 175.45 3kw3 s ILE 137 N -3.99 1.23 -0.19 0.00 1.01 0.35 -1.13 121.20 118.48 3kw3 s ILE 137 Ca 0.19 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 3kw3 s ILE 137 Cb -0.02 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3kw3 s ILE 137 CO 0.08 0.28 0.03 -0.63 0.00 0.00 0.00 174.94 174.71 3kw3 s ILE 138 N -0.46 4.38 -0.23 2.92 1.01 -0.87 0.52 121.20 128.47 3kw3 s ILE 138 Ca 0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 3kw3 s ILE 138 Cb -0.06 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3kw3 s ILE 138 CO -0.00 0.44 0.12 -1.58 0.00 0.00 0.00 174.94 173.92 3kw3 s GLN 139 N 0.69 4.00 -0.14 2.79 0.74 -0.81 0.14 119.66 127.08 3kw3 s GLN 139 Ca 0.02 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.09 3kw3 s GLN 139 Cb -0.14 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 3kw3 s GLN 139 CO 0.02 0.09 -0.04 0.08 -0.55 0.00 0.00 175.29 174.88 3kw3 s VAL 140 N 0.95 3.87 -0.20 1.34 1.01 -0.09 -1.32 120.40 125.95 3kw3 s VAL 140 Ca 0.06 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3kw3 s VAL 140 Cb -0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3kw3 s VAL 140 CO 0.03 0.52 1.22 -0.62 0.00 0.00 0.00 175.10 176.25 3kw3 s ASP 141 N 0.08 6.94 -0.06 3.32 2.15 0.04 -4.45 116.67 124.69 3kw3 s ASP 141 Ca -0.01 1.56 0.08 0.00 0.43 0.00 0.00 52.55 54.61 3kw3 s ASP 141 Cb -0.14 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.10 3kw3 s ASP 141 CO 0.03 -0.79 1.10 0.35 -0.17 0.00 0.00 175.17 175.69 3kw3 n THR 142 N 5.48 1.38 -2.07 1.71 -2.24 -1.26 -4.65 114.28 112.64 3kw3 n THR 142 Ca 0.14 -1.49 -0.01 0.00 -2.27 0.00 0.00 64.05 60.41 3kw3 n THR 142 Cb 0.45 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3kw3 n THR 142 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3kw3 n ASN 143 N -0.75 -0.15 -3.80 3.42 6.94 -1.26 -4.80 115.26 114.86 3kw3 n ASN 143 Ca 0.08 -1.60 -0.25 0.00 -0.02 0.00 0.00 54.58 52.78 3kw3 n ASN 143 Cb 0.44 0.01 0.03 0.00 -2.36 0.00 0.00 39.78 37.89 3kw3 n ASN 143 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3kw3 n MET 144 N 0.07 -5.17 0.02 -3.83 2.81 -1.26 -4.89 117.12 104.87 3kw3 n MET 144 Ca -0.07 0.60 0.14 0.00 -1.81 0.00 0.00 57.70 56.56 3kw3 n MET 144 Cb 0.68 -5.30 0.55 0.00 -0.71 0.00 0.00 33.22 28.44 3kw3 n MET 144 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3kw3 n SER 145 N -2.96 0.18 -0.84 7.83 3.41 -1.26 -4.92 113.62 115.07 3kw3 n SER 145 Ca -0.15 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.81 3kw3 n SER 145 Cb 0.61 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3kw3 n SER 145 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kw3 n ARG 146 N -1.64 -0.88 -4.37 4.33 5.12 -1.26 -5.02 116.66 112.95 3kw3 n ARG 146 Ca 0.07 0.86 -0.29 0.00 -1.93 0.00 0.00 57.85 56.56 3kw3 n ARG 146 Cb 0.36 -4.86 -0.17 0.00 -1.16 0.00 0.00 32.46 26.63 3kw3 n ARG 146 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3kw3 s LEU 147 N -2.49 1.76 0.00 0.55 2.96 -1.26 -5.06 118.68 115.14 3kw3 s LEU 147 Ca 0.00 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3kw3 s LEU 147 Cb 0.00 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.53 3kw3 s LEU 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 3kw3 n GLY 148 N 4.34 0.61 3.65 7.98 0.00 -1.24 -3.48 105.19 117.05 3kw3 n GLY 148 Ca -0.19 -1.94 -0.48 0.00 0.00 0.00 0.00 46.02 43.41 3kw3 n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kw3 n LEU 149 N -0.36 2.76 0.00 0.99 4.32 -0.44 -4.26 117.00 120.01 3kw3 n LEU 149 Ca 0.00 1.08 -0.12 0.00 -0.02 0.00 0.00 56.01 56.96 3kw3 n LEU 149 Cb 0.00 -1.36 0.07 0.00 -1.62 0.00 0.00 43.42 40.51 3kw3 n LEU 149 CO 0.00 -0.46 0.32 -0.90 -1.22 0.00 0.00 177.39 175.14 3kw3 n ASP 150 N 3.46 0.27 0.03 -1.43 5.75 -1.26 -0.78 116.55 122.58 3kw3 n ASP 150 Ca 0.18 -1.33 -0.11 0.00 -0.01 0.00 0.00 54.79 53.52 3kw3 n ASP 150 Cb 0.26 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 3kw3 n ASP 150 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3kw3 h LYS 151 N 0.00 -0.40 0.03 0.11 3.64 -1.95 0.18 116.57 118.18 3kw3 h LYS 151 Ca -0.17 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kw3 h LYS 151 Cb 0.52 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3kw3 h LYS 151 CO 0.14 -0.27 -0.01 0.87 -2.27 0.00 0.00 179.45 177.91 3kw3 h LYS 152 N -0.42 -0.04 -0.71 1.90 1.57 -2.00 -0.72 116.57 116.16 3kw3 h LYS 152 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3kw3 h LYS 152 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3kw3 h LYS 152 CO -0.31 0.01 0.21 0.93 -0.57 0.00 0.00 179.45 179.71 3kw3 h GLU 153 N -0.07 1.10 -0.85 3.15 5.08 -1.88 -2.24 114.58 118.88 3kw3 h GLU 153 Ca -0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3kw3 h GLU 153 Cb 0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3kw3 h GLU 153 CO 0.01 0.95 0.45 1.25 -1.00 0.00 0.00 179.01 180.66 3kw3 h LEU 154 N 1.06 1.08 -0.96 1.33 5.85 -0.42 -2.54 115.31 120.70 3kw3 h LEU 154 Ca 0.23 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3kw3 h LEU 154 Cb 0.31 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3kw3 h LEU 154 CO -0.01 0.88 0.41 1.56 -0.34 0.00 0.00 178.44 180.95 3kw3 h GLN 155 N 1.19 1.15 -0.87 1.25 1.08 -0.56 0.31 115.11 118.65 3kw3 h GLN 155 Ca 0.30 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 3kw3 h GLN 155 Cb 0.05 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 3kw3 h GLN 155 CO -0.04 0.86 0.57 0.87 -0.95 0.00 0.00 178.83 180.14 3kw3 h LYS 156 N 1.14 1.05 -0.12 1.46 1.57 -1.23 -0.59 116.57 119.85 3kw3 h LYS 156 Ca 0.28 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 3kw3 h LYS 156 Cb 0.08 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.16 3kw3 h LYS 156 CO -0.04 0.69 -0.64 1.25 -0.57 0.00 0.00 179.45 180.14 3kw3 h LEU 157 N 1.08 0.77 0.07 2.94 5.85 -0.67 -0.39 115.31 124.97 3kw3 h LEU 157 Ca 0.35 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3kw3 h LEU 157 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3kw3 h LEU 157 CO -0.11 1.29 -0.10 0.40 -0.34 0.00 0.00 178.44 179.59 3kw3 h ILE 158 N 0.31 0.77 -0.29 4.05 2.04 -0.24 -1.82 117.51 122.33 3kw3 h ILE 158 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3kw3 h ILE 158 Cb 1.29 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3kw3 h ILE 158 CO 0.13 0.00 0.15 0.11 0.00 0.00 0.00 178.15 178.55 3kw3 h LYS 159 N -0.20 0.39 -2.47 2.37 1.57 -1.17 -3.36 116.57 113.69 3kw3 h LYS 159 Ca 0.01 -0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.17 3kw3 h LYS 159 Cb 0.21 -0.08 -0.39 0.00 0.08 0.00 0.00 32.23 32.05 3kw3 h LYS 159 CO -0.05 0.29 -0.89 -1.71 -0.57 0.00 0.00 179.45 176.52 3kw3 n ASN 160 N -4.46 0.52 -1.51 0.86 5.15 -0.15 -4.99 115.26 110.67 3kw3 n ASN 160 Ca 0.01 -2.63 -0.10 0.00 -0.60 0.00 0.00 54.58 51.26 3kw3 n ASN 160 Cb 0.10 -0.61 0.08 0.00 -0.53 0.00 0.00 39.78 38.82 3kw3 n ASN 160 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kw3 n PRO 161 N 2.40 1.56 0.09 1.20 -0.04 -0.73 -4.58 135.00 134.91 3kw3 n PRO 161 Ca 0.27 -1.28 0.11 0.00 -0.04 0.00 0.00 63.50 62.56 3kw3 n PRO 161 Cb 0.46 -1.51 0.60 0.00 -0.04 0.00 0.00 33.50 33.00 3kw3 n PRO 161 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3kw3 h THR 162 N 0.46 0.93 -0.42 0.52 2.02 -1.94 -2.24 112.91 112.24 3kw3 h THR 162 Ca 0.26 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 67.51 3kw3 h THR 162 Cb 1.78 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3kw3 h THR 162 CO 0.46 0.03 0.31 -0.29 0.37 0.00 0.00 175.52 176.40 3kw3 h ILE 163 N 0.15 0.77 -0.01 3.11 6.09 -1.96 -1.13 117.51 124.53 3kw3 h ILE 163 Ca 0.14 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.55 3kw3 h ILE 163 Cb 0.35 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 3kw3 h ILE 163 CO -0.02 0.00 -0.33 -0.26 -3.07 0.00 0.00 178.15 174.47 3kw3 h PHE 164 N 0.00 0.03 0.18 2.19 0.04 -1.67 0.86 116.94 118.58 3kw3 h PHE 164 Ca 0.20 -0.01 -0.35 0.00 2.80 0.00 0.00 57.97 60.61 3kw3 h PHE 164 Cb 0.81 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.97 3kw3 h PHE 164 CO 0.00 0.36 -1.77 1.49 -0.60 0.00 0.00 178.31 177.79 3kw3 h GLU 165 N 0.02 0.39 0.09 1.51 4.81 -1.50 -3.41 114.58 116.50 3kw3 h GLU 165 Ca 0.00 -0.66 -0.26 0.00 -0.13 0.00 0.00 59.36 58.31 3kw3 h GLU 165 Cb 0.60 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3kw3 h GLU 165 CO 0.04 1.32 -1.21 0.87 -0.73 0.00 0.00 179.01 179.30 3kw3 h LYS 166 N 0.11 0.20 -6.09 1.92 1.79 -1.05 -3.46 116.57 109.98 3kw3 h LYS 166 Ca -0.35 -0.34 -0.54 0.00 -2.18 0.00 0.00 60.65 57.25 3kw3 h LYS 166 Cb 2.10 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 32.83 3kw3 h LYS 166 CO 0.17 1.15 -0.33 0.00 -1.08 0.00 0.00 179.45 179.36 3kw3 s ALA 167 N -2.67 4.23 -0.48 3.86 0.00 0.28 -3.98 121.76 123.01 3kw3 s ALA 167 Ca -0.03 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 3kw3 s ALA 167 Cb 0.08 -0.87 0.11 0.00 0.00 0.00 0.00 23.12 22.44 3kw3 s ALA 167 CO 0.86 -0.37 0.37 -2.00 0.00 0.00 0.00 175.76 174.62 3kw3 s GLU 168 N -4.22 2.63 -0.64 0.00 2.12 -1.03 -4.65 118.70 112.92 3kw3 s GLU 168 Ca 0.43 -1.68 -0.27 0.00 0.36 0.00 0.00 54.97 53.81 3kw3 s GLU 168 Cb -0.02 -3.99 0.04 0.00 0.26 0.00 0.00 34.13 30.41 3kw3 s GLU 168 CO 0.25 -1.17 1.16 0.42 -0.54 0.00 0.00 175.26 175.38 3kw3 s ILE 169 N 1.44 4.00 0.15 -3.70 -1.09 -1.26 -1.83 121.20 118.91 3kw3 s ILE 169 Ca 0.05 0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 58.90 3kw3 s ILE 169 Cb -0.26 -4.76 -0.06 0.00 -1.58 0.00 0.00 42.46 35.80 3kw3 s ILE 169 CO 0.01 -1.49 1.46 0.11 -1.23 0.00 0.00 174.94 173.80 3kw3 h LYS 170 N 9.68 0.86 -3.68 2.79 1.79 -1.51 -3.45 116.57 123.05 3kw3 h LYS 170 Ca -0.27 -0.49 -0.13 0.00 -2.18 0.00 0.00 60.65 57.59 3kw3 h LYS 170 Cb 1.06 0.03 -0.18 0.00 -1.58 0.00 0.00 32.23 31.56 3kw3 h LYS 170 CO 1.20 1.13 -0.48 0.71 -1.08 0.00 0.00 179.45 180.93 3kw3 s TYR 171 N -4.26 0.13 -0.18 -1.35 2.02 -1.26 -4.19 117.35 108.26 3kw3 s TYR 171 Ca -0.10 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.14 3kw3 s TYR 171 Cb 0.11 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 3kw3 s TYR 171 CO 0.88 -0.37 0.10 0.42 -1.57 0.00 0.00 175.55 175.01 3kw3 s ILE 172 N -2.36 5.11 0.03 2.71 1.01 -0.55 -2.05 121.20 125.10 3kw3 s ILE 172 Ca -0.07 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.72 3kw3 s ILE 172 Cb -0.02 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 3kw3 s ILE 172 CO -0.03 0.47 -0.18 -0.22 0.00 0.00 0.00 174.94 174.99 3kw3 s LEU 173 N 0.17 2.14 0.00 2.97 0.20 0.12 -1.85 118.68 122.44 3kw3 s LEU 173 Ca 0.07 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.46 3kw3 s LEU 173 Cb -0.12 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.81 3kw3 s LEU 173 CO -0.00 0.12 0.28 -0.24 -0.29 0.00 0.00 176.35 176.22 3kw3 n SER 174 N 2.02 -0.75 -3.77 3.68 2.88 -0.93 -0.92 113.62 115.83 3kw3 n SER 174 Ca -0.17 -2.60 -0.13 0.00 -1.33 0.00 0.00 58.87 54.64 3kw3 n SER 174 Cb 0.54 1.57 -0.14 0.00 -0.75 0.00 0.00 64.21 65.43 3kw3 n SER 174 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3kw3 s HIS 175 N -3.18 -0.19 0.38 0.66 2.46 -1.26 -4.28 115.29 109.89 3kw3 s HIS 175 Ca 0.27 0.50 -0.25 0.00 0.47 0.00 0.00 55.06 56.05 3kw3 s HIS 175 Cb 0.01 -0.01 -0.09 0.00 -0.13 0.00 0.00 32.58 32.35 3kw3 s HIS 175 CO 0.19 -0.14 1.06 -0.51 -2.47 0.00 0.00 174.74 172.87 3kw3 s LEU 176 N 0.78 4.21 -0.04 8.88 1.43 -1.26 -4.84 118.68 127.85 3kw3 s LEU 176 Ca -0.06 2.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.92 3kw3 s LEU 176 Cb -0.08 -4.08 -0.31 0.00 0.03 0.00 0.00 46.19 41.75 3kw3 s LEU 176 CO -0.04 -0.44 0.92 0.00 0.23 0.00 0.00 176.35 177.02 3kw3 h ALA 177 N 2.72 -0.08 -0.04 4.21 0.00 -1.97 -3.40 119.26 120.70 3kw3 h ALA 177 Ca -0.48 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 53.71 3kw3 h ALA 177 Cb 1.22 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3kw3 h ALA 177 CO 0.63 0.39 -0.53 0.09 0.00 0.00 0.00 179.25 179.83 3kw3 n ASN 178 N -4.11 1.85 -0.32 0.00 4.13 -1.26 -4.80 115.26 110.75 3kw3 n ASN 178 Ca -0.14 -3.86 0.17 0.00 1.68 0.00 0.00 54.58 52.44 3kw3 n ASN 178 Cb 0.82 -0.52 0.35 0.00 -1.54 0.00 0.00 39.78 38.89 3kw3 n ASN 178 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3kw3 h GLY 179 N 1.06 1.49 2.00 7.41 0.00 -1.92 -0.97 103.07 112.14 3kw3 h GLY 179 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3kw3 h GLY 179 CO 0.04 -0.50 -0.06 1.05 0.00 0.00 0.00 176.54 177.06 3kw3 h GLU 180 N 0.10 0.00 -4.01 4.80 9.09 -1.87 -3.36 114.58 119.33 3kw3 h GLU 180 Ca 0.62 0.00 -0.76 0.00 0.05 0.00 0.00 59.36 59.27 3kw3 h GLU 180 Cb 1.36 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 28.21 3kw3 h GLU 180 CO -0.77 0.06 -0.14 0.34 0.05 0.00 0.00 179.01 178.55 3kw3 s ASP 181 N -6.67 6.30 0.39 3.06 -1.08 -0.37 -4.02 116.67 114.27 3kw3 s ASP 181 Ca -0.04 -2.13 0.18 0.00 -0.52 0.00 0.00 52.55 50.03 3kw3 s ASP 181 Cb 0.16 -2.18 1.09 0.00 -1.46 0.00 0.00 42.92 40.52 3kw3 s ASP 181 CO 0.63 -0.73 1.76 0.00 0.52 0.00 0.00 175.17 177.35 3kw3 h ALA 182 N 8.43 2.19 0.13 3.66 0.00 -1.81 -2.64 119.26 129.23 3kw3 h ALA 182 Ca -0.15 0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 3kw3 h ALA 182 Cb 1.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kw3 h ALA 182 CO 0.92 -0.61 -1.67 0.77 0.00 0.00 0.00 179.25 178.65 3kw3 h SER 183 N 0.41 0.45 -0.79 0.00 0.02 -1.93 -3.50 113.55 108.20 3kw3 h SER 183 Ca 0.61 -0.69 -0.57 0.00 -0.84 0.00 0.00 61.79 60.29 3kw3 h SER 183 Cb 1.50 -0.15 0.07 0.00 0.14 0.00 0.00 62.40 63.96 3kw3 h SER 183 CO -0.32 1.58 -0.22 1.57 -1.14 0.00 0.00 176.83 178.31 3kw3 n HIS 184 N -3.48 0.00 0.19 3.45 -0.00 -1.00 -4.90 115.22 109.49 3kw3 n HIS 184 Ca -0.21 0.80 0.07 0.00 0.46 0.00 0.00 57.72 58.84 3kw3 n HIS 184 Cb 1.06 -1.60 0.24 0.00 -0.12 0.00 0.00 29.99 29.56 3kw3 n HIS 184 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3kw3 h SER 185 N 1.48 0.00 0.04 0.26 4.64 -1.95 -3.29 113.55 114.73 3kw3 h SER 185 Ca -0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 3kw3 h SER 185 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3kw3 h SER 185 CO 0.48 0.30 -0.11 0.77 -0.87 0.00 0.00 176.83 177.39 3kw3 h SER 186 N 0.00 0.17 -0.12 4.97 4.64 -1.98 -3.26 113.55 117.97 3kw3 h SER 186 Ca -0.00 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3kw3 h SER 186 Cb 1.05 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 3kw3 h SER 186 CO 0.04 0.31 -0.34 0.78 -0.87 0.00 0.00 176.83 176.74 3kw3 h ASN 187 N 0.18 -1.07 0.38 4.97 2.35 -1.93 0.01 115.58 120.47 3kw3 h ASN 187 Ca 0.04 0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3kw3 h ASN 187 Cb 0.32 0.45 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3kw3 h ASN 187 CO 0.02 -0.38 -0.31 0.78 -1.65 0.00 0.00 177.43 175.89 3kw3 h ASN 188 N -0.43 0.00 0.29 5.81 4.21 -1.82 -1.64 115.58 122.00 3kw3 h ASN 188 Ca 0.09 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 3kw3 h ASN 188 Cb 0.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3kw3 h ASN 188 CO -0.35 0.31 -0.14 0.11 -1.29 0.00 0.00 177.43 176.07 3kw3 h LYS 189 N 0.00 -0.38 -0.61 0.81 1.57 -1.45 -2.36 116.57 114.15 3kw3 h LYS 189 Ca -0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3kw3 h LYS 189 Cb 0.59 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3kw3 h LYS 189 CO 0.04 -0.21 0.34 0.37 -0.57 0.00 0.00 179.45 179.41 3kw3 h GLN 190 N -0.45 0.85 -0.52 3.15 4.15 -0.79 -1.75 115.11 119.74 3kw3 h GLN 190 Ca -0.04 -0.10 0.10 0.00 0.77 0.00 0.00 58.65 59.38 3kw3 h GLN 190 Cb 0.34 -0.17 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 3kw3 h GLN 190 CO 0.07 0.64 0.03 1.25 -1.93 0.00 0.00 178.83 178.89 3kw3 h LEU 191 N 0.83 -0.16 0.02 -2.39 5.85 -1.32 0.48 115.31 118.62 3kw3 h LEU 191 Ca 0.21 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.06 3kw3 h LEU 191 Cb 0.04 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3kw3 h LEU 191 CO -0.04 -0.05 -0.04 0.00 -0.34 0.00 0.00 178.44 177.97 3kw3 h ALA 192 N 1.45 -0.06 -0.66 1.25 0.00 -0.84 -1.92 119.26 118.49 3kw3 h ALA 192 Ca 0.27 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.28 3kw3 h ALA 192 Cb 0.40 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3kw3 h ALA 192 CO -0.41 -0.55 0.26 0.00 0.00 0.00 0.00 179.25 178.55 3kw3 h ALA 193 N 0.89 0.88 -0.53 0.00 0.00 -0.84 -0.71 119.26 118.95 3kw3 h ALA 193 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kw3 h ALA 193 Cb 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kw3 h ALA 193 CO -0.03 -0.18 0.20 0.35 0.00 0.00 0.00 179.25 179.59 3kw3 h PHE 194 N 0.44 0.81 -0.45 0.00 3.57 -0.63 -0.19 116.94 120.50 3kw3 h PHE 194 Ca 0.34 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3kw3 h PHE 194 Cb 0.44 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3kw3 h PHE 194 CO -0.16 0.67 0.24 0.87 -2.23 0.00 0.00 178.31 177.71 3kw3 h LYS 195 N 0.71 0.61 -0.17 1.11 1.57 -0.91 0.38 116.57 119.87 3kw3 h LYS 195 Ca 0.17 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3kw3 h LYS 195 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3kw3 h LYS 195 CO -0.01 0.45 0.09 0.00 -0.57 0.00 0.00 179.45 179.40 3kw3 h ARG 196 N 0.61 0.18 -0.05 3.15 2.47 -0.33 -0.20 114.38 120.21 3kw3 h ARG 196 Ca 0.16 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3kw3 h ARG 196 Cb 0.02 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3kw3 h ARG 196 CO -0.03 0.12 0.02 0.28 0.56 0.00 0.00 179.97 180.92 3kw3 h VAL 197 N 0.19 1.15 -0.91 2.04 2.07 -0.09 -2.75 116.25 117.95 3kw3 h VAL 197 Ca 0.07 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3kw3 h VAL 197 Cb 0.01 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3kw3 h VAL 197 CO -0.04 0.13 0.60 -0.07 0.02 0.00 0.00 177.57 178.20 3kw3 h LEU 198 N -0.09 0.98 -2.05 2.57 3.38 -0.12 -1.39 115.31 118.59 3kw3 h LEU 198 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kw3 h LEU 198 Cb 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kw3 h LEU 198 CO -0.00 0.67 -0.09 0.00 0.09 0.00 0.00 178.44 179.11 3kw3 h ALA 199 N 1.47 1.37 0.00 1.53 0.00 -0.74 -0.89 119.26 122.00 3kw3 h ALA 199 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kw3 h ALA 199 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kw3 h ALA 199 CO -0.11 0.11 -0.04 1.04 0.00 0.00 0.00 179.25 180.25 3kw3 n GLN 200 N -3.73 0.03 -4.29 0.00 6.02 -0.53 -4.91 117.38 109.98 3kw3 n GLN 200 Ca -0.02 0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3kw3 n GLN 200 Cb 0.20 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 3kw3 n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kw3 s LEU 201 N -3.19 3.17 0.53 1.08 1.43 -0.34 -4.89 118.68 116.47 3kw3 s LEU 201 Ca 0.13 -0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 52.34 3kw3 s LEU 201 Cb 0.18 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 3kw3 s LEU 201 CO 0.55 -0.03 1.05 -2.65 0.23 0.00 0.00 176.35 175.50 3kw3 n PRO 202 N -0.90 1.22 -1.62 1.29 -0.02 -1.26 -4.91 135.00 128.79 3kw3 n PRO 202 Ca -0.06 0.45 -0.47 0.00 -2.02 0.00 0.00 63.50 61.41 3kw3 n PRO 202 Cb 0.59 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3kw3 n PRO 202 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3kw3 n THR 203 N -1.15 1.06 -3.62 3.45 -1.04 -1.26 -4.97 114.28 106.74 3kw3 n THR 203 Ca 0.11 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.05 61.80 3kw3 n THR 203 Cb 0.44 -1.14 -0.05 0.00 -1.82 0.00 0.00 70.33 67.76 3kw3 n THR 203 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kw3 s LYS 205 N -0.73 2.22 0.03 0.00 1.02 -1.26 -4.80 119.74 116.21 3kw3 s LYS 205 Ca 0.05 1.53 0.03 0.00 0.02 0.00 0.00 55.97 57.60 3kw3 s LYS 205 Cb -0.02 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 3kw3 s LYS 205 CO -0.06 -1.73 -0.10 0.08 -0.92 0.00 0.00 175.35 172.62 3kw3 s VAL 206 N -2.31 0.77 -0.02 3.17 1.01 -1.26 -1.49 120.40 120.27 3kw3 s VAL 206 Ca 0.69 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3kw3 s VAL 206 Cb -0.24 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3kw3 s VAL 206 CO 0.47 -0.06 -0.03 -0.55 0.00 0.00 0.00 175.10 174.93 3kw3 s SER 207 N -0.97 0.58 0.00 3.32 0.15 -0.77 -0.81 113.70 115.20 3kw3 s SER 207 Ca -0.01 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.56 3kw3 s SER 207 Cb -0.07 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 3kw3 s SER 207 CO 0.01 -0.04 0.00 0.33 1.20 0.00 0.00 173.24 174.74 3kw3 n PHE 208 N 3.72 -0.03 -3.13 3.44 7.35 -1.23 -2.20 117.46 125.38 3kw3 n PHE 208 Ca -0.22 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.08 3kw3 n PHE 208 Cb 0.53 0.13 -0.05 0.00 0.35 0.00 0.00 39.48 40.44 3kw3 n PHE 208 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kw3 s ALA 209 N -1.26 3.39 0.46 3.13 0.00 -1.25 -4.17 121.76 122.06 3kw3 s ALA 209 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3kw3 s ALA 209 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3kw3 s ALA 209 CO 0.00 -0.05 0.00 0.27 0.00 0.00 0.00 175.76 175.98 3kw3 n ASN 210 N 3.63 0.00 -0.08 0.00 0.23 -1.26 0.85 115.26 118.62 3kw3 n ASN 210 Ca -0.03 -0.45 -0.06 0.00 -0.53 0.00 0.00 54.58 53.50 3kw3 n ASN 210 Cb 0.51 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3kw3 n ASN 210 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3kw3 h SER 211 N 0.00 -0.36 -0.56 0.53 0.02 -1.91 -2.06 113.55 109.21 3kw3 h SER 211 Ca 0.00 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 3kw3 h SER 211 Cb 0.00 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 3kw3 h SER 211 CO 0.00 -0.13 0.30 1.23 -1.14 0.00 0.00 176.83 177.09 3kw3 h GLY 212 N -0.03 0.80 2.00 -3.77 0.00 -1.89 -2.69 103.07 97.49 3kw3 h GLY 212 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3kw3 h GLY 212 CO -0.34 0.14 -0.21 -1.33 0.00 0.00 0.00 176.54 174.80 3kw3 h GLY 213 N 0.58 0.00 1.97 4.60 0.00 -1.54 -2.12 103.07 106.56 3kw3 h GLY 213 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3kw3 h GLY 213 CO -0.16 0.00 0.01 -2.22 0.00 0.00 0.00 176.54 174.17 3kw3 h ILE 214 N 0.00 0.90 -0.64 2.60 2.04 -1.08 -2.12 117.51 119.20 3kw3 h ILE 214 Ca -0.00 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 3kw3 h ILE 214 Cb 0.40 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 3kw3 h ILE 214 CO 0.03 0.00 0.16 0.49 0.00 0.00 0.00 178.15 178.83 3kw3 n PHE 215 N -4.40 2.20 0.44 1.37 3.72 -0.80 -4.37 117.46 115.63 3kw3 n PHE 215 Ca -0.03 -0.96 0.07 0.00 -0.05 0.00 0.00 57.45 56.48 3kw3 n PHE 215 Cb 0.10 -0.60 0.08 0.00 -0.94 0.00 0.00 39.48 38.13 3kw3 n PHE 215 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kw3 n LEU 216 N 0.16 2.36 0.00 4.37 4.77 -0.80 -5.06 117.00 122.79 3kw3 n LEU 216 Ca 0.34 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3kw3 n LEU 216 Cb 1.26 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.30 3kw3 n LEU 216 CO 0.38 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3kw3 n GLY 217 N 0.79 2.97 0.03 -0.72 0.00 -1.26 -4.90 105.19 102.10 3kw3 n GLY 217 Ca 0.09 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.39 3kw3 n GLY 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kw3 n SER 218 N 0.00 0.24 0.00 1.61 3.41 -1.26 -2.86 113.62 114.75 3kw3 n SER 218 Ca 0.00 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 3kw3 n SER 218 Cb 0.00 -0.59 0.55 0.00 -0.26 0.00 0.00 64.21 63.91 3kw3 n SER 218 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kw3 n ASP 219 N -1.72 0.00 -0.44 4.04 3.85 -1.26 -2.31 116.55 118.71 3kw3 n ASP 219 Ca 0.07 0.18 0.14 0.00 -0.71 0.00 0.00 54.79 54.47 3kw3 n ASP 219 Cb 0.37 -0.38 0.52 0.00 -1.35 0.00 0.00 41.12 40.28 3kw3 n ASP 219 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3kw3 n PHE 220 N -1.38 0.00 0.09 2.11 3.72 -1.14 -4.52 117.46 116.35 3kw3 n PHE 220 Ca 0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.25 3kw3 n PHE 220 Cb 0.22 -0.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.60 3kw3 n PHE 220 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3kw3 h TYR 221 N 2.14 0.77 0.00 1.38 0.05 -1.66 -3.34 116.97 116.31 3kw3 h TYR 221 Ca 0.00 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.22 3kw3 h TYR 221 Cb 0.48 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3kw3 h TYR 221 CO 0.00 1.64 0.00 1.19 -1.05 0.00 0.00 178.16 179.94 3kw3 n PHE 222 N -3.66 0.00 0.20 4.88 3.72 -1.26 -3.01 117.46 118.34 3kw3 n PHE 222 Ca -0.23 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.25 3kw3 n PHE 222 Cb 1.07 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.49 3kw3 n PHE 222 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kw3 n ASP 223 N 3.08 1.13 -3.66 4.37 8.00 0.01 -4.71 116.55 124.77 3kw3 n ASP 223 Ca 0.00 -0.25 -0.07 0.00 0.71 0.00 0.00 54.79 55.19 3kw3 n ASP 223 Cb 0.00 1.53 -0.08 0.00 -0.02 0.00 0.00 41.12 42.55 3kw3 n ASP 223 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kw3 s LEU 224 N -3.74 -0.70 0.25 0.64 2.96 -1.03 -2.29 118.68 114.77 3kw3 s LEU 224 Ca -0.03 1.20 0.06 0.00 -0.22 0.00 0.00 54.13 55.14 3kw3 s LEU 224 Cb 0.11 1.74 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 3kw3 s LEU 224 CO 0.67 -0.22 0.29 0.68 -1.32 0.00 0.00 176.35 176.44 3kw3 s VAL 225 N 2.29 4.88 -0.48 1.68 -7.23 -0.66 -3.52 120.40 117.37 3kw3 s VAL 225 Ca -0.06 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 58.99 3kw3 s VAL 225 Cb -0.10 -3.65 0.20 0.00 0.56 0.00 0.00 36.38 33.39 3kw3 s VAL 225 CO -0.15 -0.34 0.46 0.54 -0.31 0.00 0.00 175.10 175.30 3kw3 n ARG 226 N -1.31 0.85 -2.90 4.82 1.74 0.25 -1.84 116.66 118.28 3kw3 n ARG 226 Ca -0.08 -3.56 -0.40 0.00 -0.77 0.00 0.00 57.85 53.04 3kw3 n ARG 226 Cb 0.57 -1.70 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3kw3 n ARG 226 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kw3 s PRO 227 N -0.82 4.66 0.00 5.56 0.04 -1.26 -3.67 135.00 139.51 3kw3 s PRO 227 Ca 0.33 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3kw3 s PRO 227 Cb 0.08 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3kw3 s PRO 227 CO -0.15 0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.82 3kw3 n GLY 228 N 1.66 0.09 0.30 0.56 0.00 -1.26 -1.72 105.19 104.81 3kw3 n GLY 228 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3kw3 n GLY 228 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kw3 h ILE 229 N 0.00 1.12 -0.70 -0.61 6.09 -1.91 -1.81 117.51 119.69 3kw3 h ILE 229 Ca 0.00 -0.29 -0.02 0.00 -1.37 0.00 0.00 64.86 63.18 3kw3 h ILE 229 Cb 0.00 0.61 -0.03 0.00 0.47 0.00 0.00 36.82 37.86 3kw3 h ILE 229 CO 0.00 0.13 0.37 0.00 -3.07 0.00 0.00 178.15 175.58 3kw3 h ALA 230 N 1.72 1.34 -0.82 0.18 0.00 -1.90 -1.10 119.26 118.67 3kw3 h ALA 230 Ca 0.13 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3kw3 h ALA 230 Cb 0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3kw3 h ALA 230 CO -0.02 0.53 0.54 -0.07 0.00 0.00 0.00 179.25 180.23 3kw3 h LEU 231 N 0.98 0.65 -2.73 0.00 3.38 -1.62 -2.61 115.31 113.35 3kw3 h LEU 231 Ca 0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3kw3 h LEU 231 Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kw3 h LEU 231 CO -0.04 0.37 0.04 -1.22 0.09 0.00 0.00 178.44 177.67 3kw3 n TYR 232 N -4.52 1.42 -0.65 1.13 4.01 -0.43 -4.44 117.16 113.68 3kw3 n TYR 232 Ca 0.15 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 3kw3 n TYR 232 Cb 0.38 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3kw3 n TYR 232 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kw3 n GLY 233 N 0.33 0.60 3.18 2.72 0.00 -0.98 -4.16 105.19 106.87 3kw3 n GLY 233 Ca 0.20 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 3kw3 n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kw3 s VAL 234 N -2.00 2.80 0.02 1.61 1.01 -1.11 -4.29 120.40 118.43 3kw3 s VAL 234 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3kw3 s VAL 234 Cb 0.00 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 3kw3 s VAL 234 CO 0.00 0.15 1.81 -0.62 0.00 0.00 0.00 175.10 176.44 3kw3 s ASP 235 N 1.29 6.54 0.31 3.32 2.15 -1.26 -3.65 116.67 125.37 3kw3 s ASP 235 Ca -0.01 2.52 0.25 0.00 0.43 0.00 0.00 52.55 55.74 3kw3 s ASP 235 Cb -0.17 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 40.97 3kw3 s ASP 235 CO -0.04 -0.99 1.76 1.55 -0.17 0.00 0.00 175.17 177.28 3kw3 h PRO 236 N 9.78 0.00 -0.21 4.34 0.13 -1.92 -1.66 132.00 142.46 3kw3 h PRO 236 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kw3 h PRO 236 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kw3 h PRO 236 CO 0.94 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.43 3kw3 n HIS 237 N -2.39 0.48 -2.29 1.56 8.25 -1.26 -4.46 115.22 115.11 3kw3 n HIS 237 Ca 0.02 -0.71 -0.15 0.00 -0.26 0.00 0.00 57.72 56.62 3kw3 n HIS 237 Cb 0.24 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3kw3 n HIS 237 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kw3 n GLY 238 N -0.30 -0.23 3.77 -1.41 0.00 -0.62 -4.87 105.19 101.52 3kw3 n GLY 238 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3kw3 n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kw3 s LYS 239 N -4.79 4.36 -0.07 1.61 3.01 -1.26 -5.06 119.74 117.54 3kw3 s LYS 239 Ca 0.00 1.69 -0.03 0.00 -1.01 0.00 0.00 55.97 56.62 3kw3 s LYS 239 Cb 0.00 -2.85 0.04 0.00 -1.01 0.00 0.00 37.83 34.01 3kw3 s LYS 239 CO 0.00 -0.01 0.13 -1.58 0.51 0.00 0.00 175.35 174.41 3kw3 s HIS 240 N -1.40 -0.13 0.73 3.18 2.46 -1.26 -4.12 115.29 114.75 3kw3 s HIS 240 Ca 0.52 0.48 -0.12 0.00 0.47 0.00 0.00 55.06 56.41 3kw3 s HIS 240 Cb -0.28 -0.20 0.03 0.00 -0.13 0.00 0.00 32.58 32.01 3kw3 s HIS 240 CO 0.35 -0.20 1.11 -1.25 -2.47 0.00 0.00 174.74 172.28 3kw3 s PRO 241 N 1.65 2.63 0.03 2.88 0.04 -1.26 -5.20 135.00 135.77 3kw3 s PRO 241 Ca -0.04 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.45 3kw3 s PRO 241 Cb -0.12 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3kw3 s PRO 241 CO -0.05 -1.19 -0.07 -0.08 0.04 0.00 0.00 177.00 175.65 3kw3 s THR 242 N -3.37 0.46 -0.98 1.26 -1.32 -1.26 -5.02 115.64 105.42 3kw3 s THR 242 Ca 0.59 -0.82 0.27 0.00 -1.21 0.00 0.00 61.69 60.52 3kw3 s THR 242 Cb -0.11 -0.50 0.23 0.00 -1.51 0.00 0.00 72.50 70.60 3kw3 s THR 242 CO 0.52 -0.25 1.87 -0.81 -2.21 0.00 0.00 174.62 173.74 3kw3 n PRO 243 N 1.89 0.02 -2.59 7.08 -0.04 -1.26 -4.80 135.00 135.30 3kw3 n PRO 243 Ca -0.20 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 3kw3 n PRO 243 Cb 0.56 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 3kw3 n PRO 243 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kw3 s LEU 244 N -3.12 4.42 0.06 1.53 1.43 -1.26 -4.91 118.68 116.83 3kw3 s LEU 244 Ca 0.13 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 3kw3 s LEU 244 Cb 0.18 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3kw3 s LEU 244 CO 0.51 -0.27 0.07 -0.54 0.23 0.00 0.00 176.35 176.35 3kw3 s LYS 245 N 0.49 2.90 0.43 1.70 1.02 -1.26 -4.89 119.74 120.12 3kw3 s LYS 245 Ca 0.52 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.60 3kw3 s LYS 245 Cb -0.26 -2.74 -0.08 0.00 -0.52 0.00 0.00 37.83 34.23 3kw3 s LYS 245 CO 0.30 0.58 1.34 0.00 -0.92 0.00 0.00 175.35 176.66 3kw3 s ALA 246 N -1.34 3.24 -0.10 5.17 0.00 -1.26 -3.78 121.76 123.69 3kw3 s ALA 246 Ca 0.28 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.58 3kw3 s ALA 246 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3kw3 s ALA 246 CO 0.20 -0.96 0.11 1.33 0.00 0.00 0.00 175.76 176.44 3kw3 n VAL 247 N -0.03 0.00 -4.48 0.00 0.24 -1.26 -4.90 118.33 107.90 3kw3 n VAL 247 Ca 0.04 -0.33 -0.21 0.00 -2.04 0.00 0.00 64.34 61.81 3kw3 n VAL 247 Cb 0.43 0.85 -0.15 0.00 -1.47 0.00 0.00 33.84 33.50 3kw3 n VAL 247 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kw3 s VAL 248 N -1.53 0.89 -0.03 3.34 0.11 -1.26 0.25 120.40 122.17 3kw3 s VAL 248 Ca 0.01 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 3kw3 s VAL 248 Cb 0.02 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 3kw3 s VAL 248 CO 0.12 0.26 -0.22 -0.75 -3.33 0.00 0.00 175.10 171.18 3kw3 s LYS 249 N -0.12 1.99 -0.10 1.54 2.20 -0.06 -4.41 119.74 120.79 3kw3 s LYS 249 Ca 0.02 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 3kw3 s LYS 249 Cb -0.06 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 34.46 3kw3 s LYS 249 CO -0.00 0.41 -0.15 0.08 -0.36 0.00 0.00 175.35 175.33 3kw3 s VAL 250 N -0.32 1.45 0.09 4.02 1.01 0.63 0.03 120.40 127.30 3kw3 s VAL 250 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3kw3 s VAL 250 Cb -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3kw3 s VAL 250 CO 0.01 0.43 -0.12 -1.61 0.00 0.00 0.00 175.10 173.81 3kw3 s GLU 251 N 0.92 0.83 0.02 2.72 2.02 -0.46 -0.77 118.70 123.98 3kw3 s GLU 251 Ca -0.08 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 53.84 3kw3 s GLU 251 Cb -0.15 -0.67 -0.02 0.00 0.10 0.00 0.00 34.13 33.39 3kw3 s GLU 251 CO -0.00 0.13 0.01 0.00 0.02 0.00 0.00 175.26 175.41 3kw3 s ALA 252 N -1.85 0.06 0.30 5.21 0.00 -0.86 -0.54 121.76 124.08 3kw3 s ALA 252 Ca 0.02 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 3kw3 s ALA 252 Cb -0.07 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 3kw3 s ALA 252 CO 0.01 -0.19 0.86 -1.14 0.00 0.00 0.00 175.76 175.30 3kw3 s GLN 253 N -1.71 4.41 -0.11 0.00 0.74 -0.15 -0.94 119.66 121.90 3kw3 s GLN 253 Ca -0.13 1.12 -0.30 0.00 0.05 0.00 0.00 55.36 56.10 3kw3 s GLN 253 Cb -0.08 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 3kw3 s GLN 253 CO -0.01 0.28 1.34 0.08 -0.55 0.00 0.00 175.29 176.43 3kw3 s VAL 254 N -1.66 4.07 -0.11 1.34 1.01 -0.14 -0.56 120.40 124.36 3kw3 s VAL 254 Ca 0.49 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 3kw3 s VAL 254 Cb -0.17 -3.86 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 3kw3 s VAL 254 CO 0.21 -0.09 0.87 -0.07 0.00 0.00 0.00 175.10 176.03 3kw3 h LEU 255 N 9.41 0.06 -7.00 3.92 3.38 -0.61 -0.98 115.31 123.48 3kw3 h LEU 255 Ca -0.31 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 56.74 3kw3 h LEU 255 Cb 1.13 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 3kw3 h LEU 255 CO 0.95 0.95 0.24 0.00 0.09 0.00 0.00 178.44 180.67 3kw3 s GLN 256 N -2.61 1.19 0.06 1.13 -2.07 -1.21 -4.72 119.66 111.43 3kw3 s GLN 256 Ca -0.18 -0.30 0.01 0.00 -1.82 0.00 0.00 55.36 53.07 3kw3 s GLN 256 Cb -0.02 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 3kw3 s GLN 256 CO 0.70 -0.49 0.17 -1.12 -1.32 0.00 0.00 175.29 173.23 3kw3 s SER 257 N -2.39 6.11 0.05 12.60 0.01 -1.26 -0.81 113.70 128.02 3kw3 s SER 257 Ca -0.01 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.44 3kw3 s SER 257 Cb -0.01 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 3kw3 s SER 257 CO -0.08 0.17 -0.05 0.00 0.41 0.00 0.00 173.24 173.70 3kw3 s ARG 258 N -2.45 0.59 -0.14 12.44 1.70 -0.09 -4.99 118.95 126.00 3kw3 s ARG 258 Ca 0.33 -1.03 -0.00 0.00 -0.47 0.00 0.00 55.73 54.56 3kw3 s ARG 258 Cb -0.13 -0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.22 3kw3 s ARG 258 CO 0.26 -0.04 -0.13 0.12 -1.08 0.00 0.00 175.30 174.42 3kw3 s PHE 259 N -2.82 2.80 0.14 5.89 5.36 -1.26 -1.40 117.98 126.69 3kw3 s PHE 259 Ca 0.00 -0.77 0.08 0.00 -0.96 0.00 0.00 56.93 55.28 3kw3 s PHE 259 Cb -0.00 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 3kw3 s PHE 259 CO -0.05 -0.30 -0.18 0.96 -1.46 0.00 0.00 175.22 174.19 3kw3 s ILE 260 N 0.53 1.66 1.00 3.12 -4.36 -0.49 -5.00 121.20 117.66 3kw3 s ILE 260 Ca -0.09 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 3kw3 s ILE 260 Cb -0.16 -1.68 0.19 0.00 1.25 0.00 0.00 42.46 42.06 3kw3 s ILE 260 CO 0.04 -0.27 1.08 -1.81 0.24 0.00 0.00 174.94 174.22 3kw3 s ASP 261 N -2.41 2.48 0.70 4.36 1.01 -1.26 -1.16 116.67 120.39 3kw3 s ASP 261 Ca 0.11 1.43 -0.16 0.00 0.71 0.00 0.00 52.55 54.65 3kw3 s ASP 261 Cb -0.07 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.77 3kw3 s ASP 261 CO 0.05 -3.26 1.21 0.00 0.21 0.00 0.00 175.17 173.39 3kw3 s ALA 262 N -2.81 2.22 -0.51 5.23 0.00 -1.24 -3.84 121.76 120.81 3kw3 s ALA 262 Ca 0.66 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 3kw3 s ALA 262 Cb -0.20 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3kw3 s ALA 262 CO 0.59 -1.72 0.04 0.41 0.00 0.00 0.00 175.76 175.09 3kw3 n GLY 263 N 0.41 0.17 3.17 0.00 0.00 0.06 -4.94 105.19 104.05 3kw3 n GLY 263 Ca 0.14 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3kw3 n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kw3 s ILE 264 N -2.41 1.78 0.57 -0.61 -1.09 -1.25 -4.89 121.20 113.30 3kw3 s ILE 264 Ca 0.02 -0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 3kw3 s ILE 264 Cb -0.01 -1.55 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 3kw3 s ILE 264 CO 0.03 0.50 1.06 -2.16 -1.23 0.00 0.00 174.94 173.14 3kw3 s PRO 265 N 0.38 3.40 -0.10 2.79 0.04 -1.26 -1.48 135.00 138.77 3kw3 s PRO 265 Ca -0.16 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3kw3 s PRO 265 Cb -0.17 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3kw3 s PRO 265 CO 0.07 -0.75 -0.08 0.08 0.04 0.00 0.00 177.00 176.36 3kw3 s VAL 266 N -2.32 1.02 0.00 -0.36 1.01 0.63 -4.93 120.40 115.45 3kw3 s VAL 266 Ca 0.65 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3kw3 s VAL 266 Cb -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3kw3 s VAL 266 CO 0.33 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3kw3 n GLY 267 N 4.68 -1.38 3.72 4.51 0.00 -1.26 -3.96 105.19 111.50 3kw3 n GLY 267 Ca -0.15 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3kw3 n GLY 267 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kw3 n TYR 268 N -1.25 2.59 -1.17 1.61 4.01 -1.26 -2.35 117.16 119.33 3kw3 n TYR 268 Ca 0.00 0.38 -0.06 0.00 -0.16 0.00 0.00 57.90 58.07 3kw3 n TYR 268 Cb 0.00 -2.52 -0.03 0.00 -0.31 0.00 0.00 39.34 36.49 3kw3 n TYR 268 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kw3 n ARG 269 N 1.57 -0.93 -4.22 -0.72 1.74 -1.26 -3.65 116.66 109.18 3kw3 n ARG 269 Ca 0.08 0.60 -0.35 0.00 -0.77 0.00 0.00 57.85 57.40 3kw3 n ARG 269 Cb 0.35 -4.50 -0.06 0.00 -1.02 0.00 0.00 32.46 27.23 3kw3 n ARG 269 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kw3 n GLU 270 N -1.78 -0.89 0.05 5.56 1.02 -0.99 -4.78 120.64 118.82 3kw3 n GLU 270 Ca -0.06 0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.28 3kw3 n GLU 270 Cb 0.33 -3.34 0.38 0.00 -0.02 0.00 0.00 31.44 28.78 3kw3 n GLU 270 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3kw3 n SER 271 N -2.68 0.24 -3.75 1.62 3.41 -1.24 -4.65 113.62 106.57 3kw3 n SER 271 Ca -0.26 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 58.77 3kw3 n SER 271 Cb 0.66 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 3kw3 n SER 271 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3kw3 s PHE 272 N -3.11 -0.16 -0.12 7.33 5.36 -1.25 -4.88 117.98 121.15 3kw3 s PHE 272 Ca 0.06 0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 3kw3 s PHE 272 Cb 0.10 -0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.70 3kw3 s PHE 272 CO 0.32 -0.16 -0.21 -1.64 -1.46 0.00 0.00 175.22 172.08 3kw3 s MET 273 N 1.08 3.12 0.30 10.12 -1.94 -1.26 -0.26 119.30 130.46 3kw3 s MET 273 Ca -0.08 -0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 52.77 3kw3 s MET 273 Cb -0.11 -2.42 -0.12 0.00 2.01 0.00 0.00 34.83 34.20 3kw3 s MET 273 CO -0.05 0.13 1.59 0.25 -0.01 0.00 0.00 175.02 176.93 3kw3 n THR 274 N 3.69 1.12 1.01 2.05 -2.24 -0.55 -4.90 114.28 114.46 3kw3 n THR 274 Ca -0.19 -0.28 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 3kw3 n THR 274 Cb 0.53 -1.98 0.17 0.00 -2.10 0.00 0.00 70.33 66.94 3kw3 n THR 274 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3kw3 n ARG 275 N 2.00 0.04 -3.66 -0.78 1.85 -1.26 -0.76 116.66 114.09 3kw3 n ARG 275 Ca 0.08 -0.03 -0.10 0.00 -1.00 0.00 0.00 57.85 56.80 3kw3 n ARG 275 Cb 0.37 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.25 3kw3 n ARG 275 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3kw3 s ARG 276 N -2.98 1.42 0.25 2.89 1.70 -1.26 -4.78 118.95 116.18 3kw3 s ARG 276 Ca 0.11 -0.76 -0.31 0.00 -0.47 0.00 0.00 55.73 54.30 3kw3 s ARG 276 Cb 0.17 0.56 -0.13 0.00 -0.57 0.00 0.00 34.95 34.99 3kw3 s ARG 276 CO 0.73 -0.62 1.55 -2.30 -1.08 0.00 0.00 175.30 173.59 3kw3 n PRO 277 N -0.37 2.43 -4.19 3.89 -0.02 -1.26 -3.67 135.00 131.81 3kw3 n PRO 277 Ca -0.11 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.08 3kw3 n PRO 277 Cb 0.63 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.36 3kw3 n PRO 277 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kw3 s SER 278 N 0.59 0.99 -0.28 2.55 0.01 -0.31 -4.90 113.70 112.35 3kw3 s SER 278 Ca 0.69 -0.35 -0.09 0.00 1.31 0.00 0.00 55.95 57.51 3kw3 s SER 278 Cb -0.57 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 3kw3 s SER 278 CO 0.45 -0.04 0.12 -0.89 0.41 0.00 0.00 173.24 173.29 3kw3 s THR 279 N -0.75 4.58 0.21 1.44 2.01 -1.26 -1.39 115.64 120.48 3kw3 s THR 279 Ca -0.02 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 61.85 3kw3 s THR 279 Cb -0.06 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 3kw3 s THR 279 CO 0.00 0.23 0.01 -0.76 -0.69 0.00 0.00 174.62 173.41 3kw3 s LEU 280 N 1.64 3.30 0.02 4.42 1.43 -0.49 -0.33 118.68 128.67 3kw3 s LEU 280 Ca 0.06 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3kw3 s LEU 280 Cb -0.16 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3kw3 s LEU 280 CO 0.06 0.05 -0.17 0.00 0.23 0.00 0.00 176.35 176.52 3kw3 s ALA 281 N -1.96 1.42 -0.16 4.21 0.00 -0.37 -0.91 121.76 123.99 3kw3 s ALA 281 Ca 0.29 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 3kw3 s ALA 281 Cb -0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 3kw3 s ALA 281 CO 0.19 0.32 -0.04 0.99 0.00 0.00 0.00 175.76 177.23 3kw3 s THR 282 N -0.62 3.85 -0.05 0.00 2.01 0.01 -1.09 115.64 119.74 3kw3 s THR 282 Ca 0.05 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 3kw3 s THR 282 Cb -0.07 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3kw3 s THR 282 CO 0.01 0.48 0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 3kw3 s ILE 283 N 0.49 4.50 0.00 1.82 -1.09 0.15 0.17 121.20 127.23 3kw3 s ILE 283 Ca -0.03 -0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 58.04 3kw3 s ILE 283 Cb -0.14 -2.97 -0.12 0.00 -1.58 0.00 0.00 42.46 37.65 3kw3 s ILE 283 CO 0.03 0.49 2.58 -0.24 -1.23 0.00 0.00 174.94 176.57 3kw3 n SER 284 N 1.72 4.78 -3.77 3.58 2.88 0.27 -1.64 113.62 121.45 3kw3 n SER 284 Ca -0.16 -2.33 -0.13 0.00 -1.33 0.00 0.00 58.87 54.92 3kw3 n SER 284 Cb 0.53 -1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 62.74 3kw3 n SER 284 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 3kw3 s ILE 285 N 0.70 0.02 0.00 2.46 2.07 -1.13 -4.71 121.20 120.61 3kw3 s ILE 285 Ca 0.31 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 3kw3 s ILE 285 Cb 0.15 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.25 3kw3 s ILE 285 CO 0.00 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 3kw3 n GLY 286 N 2.42 4.83 0.26 1.50 0.00 -1.24 -1.63 105.19 111.33 3kw3 n GLY 286 Ca -0.16 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 44.62 3kw3 n GLY 286 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3kw3 h TYR 287 N 0.13 0.00 0.00 1.61 -0.00 -1.11 -1.87 116.97 115.74 3kw3 h TYR 287 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3kw3 h TYR 287 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3kw3 h TYR 287 CO 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 178.16 178.26 3kw3 h ALA 288 N 1.90 1.00 -0.01 0.10 0.00 -1.56 -0.81 119.26 119.87 3kw3 h ALA 288 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kw3 h ALA 288 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kw3 h ALA 288 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3kw3 n ASP 289 N -3.06 1.32 0.00 0.00 8.00 -0.72 -4.70 116.55 117.39 3kw3 n ASP 289 Ca 0.00 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.06 3kw3 n ASP 289 Cb 0.28 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3kw3 n ASP 289 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kw3 n GLY 290 N 1.15 0.71 3.68 0.44 0.00 -0.31 -1.24 105.19 109.62 3kw3 n GLY 290 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kw3 n GLY 290 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kw3 s TRP 291 N -2.12 2.90 0.23 1.61 -0.11 -1.12 -4.78 118.94 115.54 3kw3 s TRP 291 Ca 0.00 0.95 -0.31 0.00 1.22 0.00 0.00 56.10 57.95 3kw3 s TRP 291 Cb 0.00 -3.56 -0.12 0.00 -1.50 0.00 0.00 33.47 28.29 3kw3 s TRP 291 CO 0.00 -2.00 1.69 -2.14 -4.62 0.00 0.00 176.95 169.88 3kw3 s PRO 292 N 2.72 4.13 0.44 5.86 0.02 -1.26 -3.70 135.00 143.20 3kw3 s PRO 292 Ca 0.60 2.59 0.13 0.00 0.02 0.00 0.00 61.00 64.34 3kw3 s PRO 292 Cb -0.27 -3.06 0.96 0.00 0.02 0.00 0.00 34.50 32.15 3kw3 s PRO 292 CO 0.22 -0.72 1.98 -0.09 -0.33 0.00 0.00 177.00 178.06 3kw3 h ARG 293 N 6.34 0.05 0.00 5.54 2.43 -1.92 -1.71 114.38 125.11 3kw3 h ARG 293 Ca -0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3kw3 h ARG 293 Cb 1.21 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3kw3 h ARG 293 CO 0.92 0.22 0.00 1.51 -1.51 0.00 0.00 179.97 181.10 3kw3 n ILE 294 N -4.32 1.51 1.62 1.20 0.13 -1.26 -0.94 119.36 117.30 3kw3 n ILE 294 Ca -0.02 0.51 0.15 0.00 -1.10 0.00 0.00 62.75 62.29 3kw3 n ILE 294 Cb 0.24 -1.47 0.81 0.00 -0.84 0.00 0.00 39.64 38.38 3kw3 n ILE 294 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3kw3 n LEU 295 N -1.77 0.00 -4.60 9.51 4.77 -0.64 -4.75 117.00 119.53 3kw3 n LEU 295 Ca 0.00 0.14 -0.50 0.00 -0.03 0.00 0.00 56.01 55.62 3kw3 n LEU 295 Cb 0.05 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3kw3 n LEU 295 CO 0.06 -0.01 0.86 -1.20 -1.33 0.00 0.00 177.39 175.77 3kw3 n SER 296 N -1.14 1.69 -2.03 -1.43 7.64 -0.12 -1.04 113.62 117.20 3kw3 n SER 296 Ca 0.18 1.13 -0.14 0.00 1.01 0.00 0.00 58.87 61.05 3kw3 n SER 296 Cb 0.16 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 3kw3 n SER 296 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kw3 n ASN 297 N 2.37 -4.08 0.00 6.43 3.02 -1.02 -4.66 115.26 117.32 3kw3 n ASN 297 Ca 0.17 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 3kw3 n ASN 297 Cb 0.22 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 3kw3 n ASN 297 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kw3 n LYS 298 N -2.49 0.00 -1.43 3.52 4.81 -0.54 -4.97 118.16 117.06 3kw3 n LYS 298 Ca -0.16 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.07 3kw3 n LYS 298 Cb 0.56 -0.20 0.15 0.00 0.02 0.00 0.00 35.03 35.56 3kw3 n LYS 298 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kw3 n GLY 299 N 0.83 -1.27 3.01 3.14 0.00 -0.20 -4.86 105.19 105.84 3kw3 n GLY 299 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 3kw3 n GLY 299 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kw3 s THR 300 N -3.06 0.12 0.22 2.61 2.01 -1.26 -1.35 115.64 114.93 3kw3 s THR 300 Ca 0.54 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.61 3kw3 s THR 300 Cb -0.02 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 3kw3 s THR 300 CO 0.38 -0.55 -0.08 0.68 -0.69 0.00 0.00 174.62 174.37 3kw3 s VAL 301 N -1.77 1.42 -0.05 3.82 -7.23 -0.59 -4.90 120.40 111.11 3kw3 s VAL 301 Ca -0.13 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 57.99 3kw3 s VAL 301 Cb -0.07 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 3kw3 s VAL 301 CO -0.02 -0.47 -0.24 -0.31 -0.31 0.00 0.00 175.10 173.74 3kw3 s TYR 302 N -3.17 2.43 -0.28 2.82 1.51 -0.16 -0.37 117.35 120.13 3kw3 s TYR 302 Ca 0.25 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3kw3 s TYR 302 Cb 0.03 -1.57 0.07 0.00 -0.11 0.00 0.00 41.96 40.38 3kw3 s TYR 302 CO 0.07 -0.12 -0.05 0.12 -1.11 0.00 0.00 175.55 174.46 3kw3 s PHE 303 N -0.35 3.30 -1.43 2.71 5.36 0.29 0.50 117.98 128.35 3kw3 s PHE 303 Ca 0.02 -2.47 -0.05 0.00 -0.96 0.00 0.00 56.93 53.47 3kw3 s PHE 303 Cb -0.12 -2.20 0.04 0.00 -0.34 0.00 0.00 43.02 40.39 3kw3 s PHE 303 CO 0.02 -0.89 0.69 0.09 -1.46 0.00 0.00 175.22 173.67 3kw3 n ASN 304 N 4.41 -2.01 0.00 6.13 5.03 -1.26 -0.94 115.26 126.62 3kw3 n ASN 304 Ca -0.08 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.49 3kw3 n ASN 304 Cb 0.42 -3.58 0.00 0.00 -1.02 0.00 0.00 39.78 35.60 3kw3 n ASN 304 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kw3 n GLY 305 N -1.71 1.88 3.72 7.41 0.00 -1.26 -5.02 105.19 110.20 3kw3 n GLY 305 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3kw3 n GLY 305 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kw3 s HIS 306 N -3.36 3.48 0.24 1.61 3.76 -0.11 -5.04 115.29 115.87 3kw3 s HIS 306 Ca 0.00 0.77 -0.30 0.00 -0.15 0.00 0.00 55.06 55.38 3kw3 s HIS 306 Cb 0.00 -2.49 -0.09 0.00 1.11 0.00 0.00 32.58 31.11 3kw3 s HIS 306 CO 0.00 0.16 1.24 -1.59 -0.85 0.00 0.00 174.74 173.70 3kw3 s LYS 307 N 0.69 4.45 -0.07 1.40 -2.85 -1.26 -0.55 119.74 121.56 3kw3 s LYS 307 Ca 0.22 2.00 0.02 0.00 -1.00 0.00 0.00 55.97 57.22 3kw3 s LYS 307 Cb -0.14 -3.17 0.01 0.00 -2.06 0.00 0.00 37.83 32.46 3kw3 s LYS 307 CO 0.08 -0.11 -0.13 -0.51 0.10 0.00 0.00 175.35 174.79 3kw3 s LEU 308 N -0.80 1.66 0.40 2.77 1.02 0.50 -4.92 118.68 119.31 3kw3 s LEU 308 Ca 0.52 -0.31 -0.19 0.00 0.02 0.00 0.00 54.13 54.16 3kw3 s LEU 308 Cb -0.35 -0.85 -0.10 0.00 0.02 0.00 0.00 46.19 44.90 3kw3 s LEU 308 CO 0.42 0.04 0.89 -2.16 0.02 0.00 0.00 176.35 175.56 3kw3 s PRO 309 N 0.66 4.17 0.17 1.29 0.04 -1.26 -1.54 135.00 138.53 3kw3 s PRO 309 Ca -0.15 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 3kw3 s PRO 309 Cb -0.16 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 3kw3 s PRO 309 CO 0.04 0.02 1.19 0.42 0.04 0.00 0.00 177.00 178.70 3kw3 s ILE 310 N -2.13 3.66 0.02 0.56 1.01 -0.46 -1.35 121.20 122.51 3kw3 s ILE 310 Ca 0.60 1.37 0.05 0.00 0.00 0.00 0.00 60.65 62.67 3kw3 s ILE 310 Cb -0.09 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3kw3 s ILE 310 CO 0.14 0.21 -0.15 0.68 0.00 0.00 0.00 174.94 175.82 3kw3 s VAL 311 N 0.07 1.16 0.11 2.92 -7.23 -0.18 -3.72 120.40 113.53 3kw3 s VAL 311 Ca 0.53 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 3kw3 s VAL 311 Cb -0.32 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.61 3kw3 s VAL 311 CO 0.35 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 3kw3 n GLY 312 N 2.28 -1.89 3.75 2.32 0.00 -1.26 -4.48 105.19 105.92 3kw3 n GLY 312 Ca -0.16 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 3kw3 n GLY 312 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kw3 s HIS 313 N -1.04 3.49 0.21 1.61 0.09 -1.26 -2.45 115.29 115.94 3kw3 s HIS 313 Ca 0.00 1.56 -0.30 0.00 -0.00 0.00 0.00 55.06 56.32 3kw3 s HIS 313 Cb 0.00 -3.37 -0.09 0.00 -0.00 0.00 0.00 32.58 29.12 3kw3 s HIS 313 CO 0.00 -0.89 1.38 0.42 -0.00 0.00 0.00 174.74 175.65 3kw3 s ILE 314 N -0.63 2.95 0.58 0.60 1.01 -1.26 -4.69 121.20 119.76 3kw3 s ILE 314 Ca 0.48 0.78 0.09 0.00 0.00 0.00 0.00 60.65 62.00 3kw3 s ILE 314 Cb -0.32 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 38.73 3kw3 s ILE 314 CO 0.39 0.11 0.75 -0.44 0.00 0.00 0.00 174.94 175.76 3kw3 s SER 315 N 0.43 5.00 0.35 3.58 0.01 -0.77 -4.87 113.70 117.43 3kw3 s SER 315 Ca 0.59 -0.94 0.04 0.00 1.31 0.00 0.00 55.95 56.95 3kw3 s SER 315 Cb -0.39 0.39 0.65 0.00 0.21 0.00 0.00 66.02 66.87 3kw3 s SER 315 CO 0.39 -1.35 1.93 -0.03 0.41 0.00 0.00 173.24 174.59 3kw3 h MET 316 N 0.23 0.58 0.00 12.44 4.05 -1.95 -1.57 114.93 128.72 3kw3 h MET 316 Ca -0.30 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3kw3 h MET 316 Cb 1.29 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 3kw3 h MET 316 CO 0.43 0.53 0.00 -0.25 0.23 0.00 0.00 176.91 177.84 3kw3 n ASP 317 N -4.34 0.41 -3.88 1.39 8.00 -1.26 -1.65 116.55 115.22 3kw3 n ASP 317 Ca 0.03 -0.93 -0.10 0.00 0.71 0.00 0.00 54.79 54.50 3kw3 n ASP 317 Cb 0.18 0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 3kw3 n ASP 317 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kw3 s SER 318 N -0.04 0.11 0.06 -2.24 1.04 -1.14 -2.84 113.70 108.63 3kw3 s SER 318 Ca 0.00 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.01 3kw3 s SER 318 Cb 0.00 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3kw3 s SER 318 CO 0.00 -0.57 -0.16 0.27 0.98 0.00 0.00 173.24 173.76 3kw3 s ILE 319 N -2.80 1.28 -0.14 -1.02 -5.25 -0.64 -1.84 121.20 110.78 3kw3 s ILE 319 Ca -0.03 -1.17 -0.04 0.00 -0.99 0.00 0.00 60.65 58.41 3kw3 s ILE 319 Cb 0.00 -1.17 -0.03 0.00 2.95 0.00 0.00 42.46 44.21 3kw3 s ILE 319 CO -0.05 -0.02 0.01 -0.63 -1.79 0.00 0.00 174.94 172.45 3kw3 s ILE 320 N -0.98 4.30 0.13 8.37 1.01 -1.26 0.29 121.20 133.06 3kw3 s ILE 320 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3kw3 s ILE 320 Cb -0.09 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3kw3 s ILE 320 CO 0.02 0.52 -0.15 0.68 0.00 0.00 0.00 174.94 176.01 3kw3 s VAL 321 N -0.02 1.43 -0.35 2.92 -7.23 -0.25 -1.01 120.40 115.88 3kw3 s VAL 321 Ca 0.03 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 3kw3 s VAL 321 Cb -0.13 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 3kw3 s VAL 321 CO 0.02 -0.41 0.30 -0.62 -0.31 0.00 0.00 175.10 174.08 3kw3 s ASP 322 N -2.52 6.11 0.00 4.85 2.15 -0.45 -1.24 116.67 125.57 3kw3 s ASP 322 Ca 0.11 -0.41 0.24 0.00 0.43 0.00 0.00 52.55 52.92 3kw3 s ASP 322 Cb -0.05 -2.16 0.18 0.00 -0.30 0.00 0.00 42.92 40.59 3kw3 s ASP 322 CO 0.04 -0.30 1.25 0.00 -0.17 0.00 0.00 175.17 175.98 3kw3 n ALA 323 N 5.23 2.54 -0.34 3.66 0.00 0.56 -4.06 120.51 128.11 3kw3 n ALA 323 Ca -0.11 -0.68 0.24 0.00 0.00 0.00 0.00 53.44 52.89 3kw3 n ALA 323 Cb 0.49 -0.81 0.52 0.00 0.00 0.00 0.00 19.45 19.65 3kw3 n ALA 323 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3kw3 h THR 324 N 4.52 0.47 -0.01 0.00 2.02 -1.81 -0.11 112.91 118.00 3kw3 h THR 324 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kw3 h THR 324 Cb 0.98 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3kw3 h THR 324 CO 0.00 0.06 -0.09 0.47 0.37 0.00 0.00 175.52 176.33 3kw3 n ASP 325 N -4.64 0.83 -4.86 4.18 8.00 -1.26 -4.88 116.55 113.92 3kw3 n ASP 325 Ca 0.27 -0.97 -0.31 0.00 0.71 0.00 0.00 54.79 54.48 3kw3 n ASP 325 Cb 0.94 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.01 3kw3 n ASP 325 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kw3 s LEU 326 N -2.28 3.79 -0.05 0.64 1.43 -0.06 -5.03 118.68 117.13 3kw3 s LEU 326 Ca 0.33 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.77 3kw3 s LEU 326 Cb 0.20 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 3kw3 s LEU 326 CO 0.43 -0.44 0.11 0.44 0.23 0.00 0.00 176.35 177.12 3kw3 h ASP 327 N 1.30 -0.05 -3.35 2.29 3.32 -1.89 -3.43 116.42 114.60 3kw3 h ASP 327 Ca -0.47 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.00 3kw3 h ASP 327 Cb 1.18 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 3kw3 h ASP 327 CO 0.63 0.22 0.78 -0.54 -1.72 0.00 0.00 179.24 178.61 3kw3 s LYS 328 N -1.59 4.02 0.08 3.56 -0.14 -1.26 -5.02 119.74 119.38 3kw3 s LYS 328 Ca -0.01 0.96 -0.26 0.00 -1.36 0.00 0.00 55.97 55.30 3kw3 s LYS 328 Cb 0.00 -3.75 -0.06 0.00 -1.68 0.00 0.00 37.83 32.34 3kw3 s LYS 328 CO 0.03 -0.90 0.80 0.15 -0.76 0.00 0.00 175.35 174.66 3kw3 s LYS 329 N 3.59 4.54 0.47 1.68 3.01 -1.26 -5.04 119.74 126.73 3kw3 s LYS 329 Ca 0.43 1.14 -0.23 0.00 -1.01 0.00 0.00 55.97 56.30 3kw3 s LYS 329 Cb -0.12 -3.34 -0.07 0.00 -1.01 0.00 0.00 37.83 33.28 3kw3 s LYS 329 CO 0.16 0.33 1.23 -1.25 0.51 0.00 0.00 175.35 176.34 3kw3 s PRO 330 N -0.27 3.65 0.44 -1.68 0.04 -1.26 -5.04 135.00 130.88 3kw3 s PRO 330 Ca 0.39 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.43 3kw3 s PRO 330 Cb -0.21 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 3kw3 s PRO 330 CO 0.25 -0.69 0.01 -0.65 0.04 0.00 0.00 177.00 175.96 3kw3 s GLN 331 N -2.66 2.02 -0.05 4.56 -1.52 -1.26 -4.76 119.66 116.00 3kw3 s GLN 331 Ca 0.64 -2.20 -0.38 0.00 -1.95 0.00 0.00 55.36 51.47 3kw3 s GLN 331 Cb -0.33 -1.51 -0.17 0.00 -0.22 0.00 0.00 33.01 30.78 3kw3 s GLN 331 CO 0.40 -0.18 1.47 -2.13 -0.25 0.00 0.00 175.29 174.60 3kw3 n ARG 332 N -1.05 1.09 0.00 2.91 0.63 -1.26 -1.30 116.66 117.68 3kw3 n ARG 332 Ca -0.10 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 3kw3 n ARG 332 Cb 0.67 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.53 3kw3 n ARG 332 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kw3 n GLY 333 N 3.06 3.43 3.71 5.14 0.00 -0.37 -5.00 105.19 115.15 3kw3 n GLY 333 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3kw3 n GLY 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kw3 s ASP 334 N -0.73 3.61 0.04 1.61 1.01 -0.42 -4.72 116.67 117.07 3kw3 s ASP 334 Ca 0.00 2.13 0.04 0.00 0.71 0.00 0.00 52.55 55.43 3kw3 s ASP 334 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 3kw3 s ASP 334 CO 0.00 -2.64 -0.06 0.26 0.21 0.00 0.00 175.17 172.93 3kw3 s TRP 335 N -2.57 2.87 0.33 4.23 0.52 -1.26 -0.97 118.94 122.08 3kw3 s TRP 335 Ca 0.67 -0.06 0.10 0.00 0.02 0.00 0.00 56.10 56.82 3kw3 s TRP 335 Cb -0.23 -1.56 -0.06 0.00 -1.15 0.00 0.00 33.47 30.48 3kw3 s TRP 335 CO 0.55 0.40 -0.09 0.14 0.02 0.00 0.00 176.95 177.97 3kw3 s VAL 336 N -1.09 2.44 -0.16 4.03 -7.23 -0.12 -4.71 120.40 113.57 3kw3 s VAL 336 Ca 0.19 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 3kw3 s VAL 336 Cb -0.11 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3kw3 s VAL 336 CO 0.10 -0.25 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.93 3kw3 s GLU 337 N -3.62 3.74 -0.16 4.82 2.12 0.18 -2.02 118.70 123.75 3kw3 s GLU 337 Ca 0.32 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.19 3kw3 s GLU 337 Cb -0.00 -2.98 -0.11 0.00 0.26 0.00 0.00 34.13 31.30 3kw3 s GLU 337 CO 0.17 0.26 -0.15 1.28 -0.54 0.00 0.00 175.26 176.28 3kw3 n LEU 338 N 3.50 2.87 -3.98 2.70 4.32 0.05 -0.98 117.00 125.48 3kw3 n LEU 338 Ca -0.17 -0.07 -0.22 0.00 -0.02 0.00 0.00 56.01 55.53 3kw3 n LEU 338 Cb 0.52 -0.57 -0.16 0.00 -1.62 0.00 0.00 43.42 41.59 3kw3 n LEU 338 CO 0.33 0.75 -0.44 -0.63 -1.22 0.00 0.00 177.39 176.18 3kw3 s ILE 339 N -2.33 0.86 -2.09 -0.08 1.01 -1.08 -4.84 121.20 112.65 3kw3 s ILE 339 Ca -0.22 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3kw3 s ILE 339 Cb 0.06 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.73 3kw3 s ILE 339 CO 0.37 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.21 3kw3 n GLY 340 N 3.71 -0.54 0.36 6.18 0.00 -0.46 -0.27 105.19 114.17 3kw3 n GLY 340 Ca -0.22 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.11 3kw3 n GLY 340 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kw3 h PRO 341 N 0.00 0.55 0.00 1.61 0.11 -1.99 -1.85 132.00 130.43 3kw3 h PRO 341 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3kw3 h PRO 341 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3kw3 h PRO 341 CO 0.00 0.37 -0.69 0.72 -0.21 0.00 0.00 178.00 178.18 3kw3 n HIS 342 N -4.49 0.37 -3.30 0.65 8.25 -1.26 -4.56 115.22 110.88 3kw3 n HIS 342 Ca 0.12 0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.48 3kw3 n HIS 342 Cb 0.36 -0.52 -0.08 0.00 1.12 0.00 0.00 29.99 30.87 3kw3 n HIS 342 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3kw3 s GLN 343 N -3.14 0.78 0.89 -0.41 0.74 -0.73 -5.07 119.66 112.72 3kw3 s GLN 343 Ca 0.07 -1.40 -0.11 0.00 0.05 0.00 0.00 55.36 53.96 3kw3 s GLN 343 Cb 0.14 -0.96 0.13 0.00 1.10 0.00 0.00 33.01 33.42 3kw3 s GLN 343 CO 0.73 -1.29 1.09 -1.25 -0.55 0.00 0.00 175.29 174.03 3kw3 s PRO 344 N 0.81 1.29 0.26 1.67 0.04 -1.01 -1.35 135.00 136.70 3kw3 s PRO 344 Ca 0.25 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 3kw3 s PRO 344 Cb -0.08 -1.80 0.52 0.00 0.04 0.00 0.00 34.50 33.19 3kw3 s PRO 344 CO -0.08 -2.27 1.71 1.25 0.04 0.00 0.00 177.00 177.65 3kw3 h LEU 345 N -1.58 0.23 -0.92 -3.56 5.85 -1.92 -1.80 115.31 111.60 3kw3 h LEU 345 Ca -0.48 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3kw3 h LEU 345 Cb 1.27 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 3kw3 h LEU 345 CO 0.52 0.05 0.57 -0.33 -0.34 0.00 0.00 178.44 178.91 3kw3 h GLU 346 N 0.40 0.97 -0.05 1.25 3.07 -1.97 -1.08 114.58 117.17 3kw3 h GLU 346 Ca 0.45 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 3kw3 h GLU 346 Cb 0.74 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3kw3 h GLU 346 CO -0.46 0.64 -0.00 -0.22 -1.40 0.00 0.00 179.01 177.57 3kw3 h LYS 347 N 0.99 0.09 -0.88 2.33 1.63 -1.69 -0.26 116.57 118.80 3kw3 h LYS 347 Ca 0.42 -0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.33 3kw3 h LYS 347 Cb 0.28 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.81 3kw3 h LYS 347 CO -0.21 0.39 0.48 0.28 -3.45 0.00 0.00 179.45 176.94 3kw3 h VAL 348 N -0.21 0.78 -0.25 2.00 2.07 -1.21 -0.91 116.25 118.50 3kw3 h VAL 348 Ca 0.01 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 3kw3 h VAL 348 Cb 0.35 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3kw3 h VAL 348 CO 0.00 0.13 -0.21 0.77 0.02 0.00 0.00 177.57 178.28 3kw3 h SER 349 N 0.70 0.63 -0.51 0.57 4.64 -0.80 -1.37 113.55 117.41 3kw3 h SER 349 Ca 0.47 -0.46 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3kw3 h SER 349 Cb 0.61 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3kw3 h SER 349 CO -0.33 0.95 -0.14 0.71 -0.87 0.00 0.00 176.83 177.15 3kw3 h THR 350 N 0.31 1.27 -0.87 2.95 1.35 -0.81 0.52 112.91 117.64 3kw3 h THR 350 Ca 0.05 -1.29 0.10 0.00 -0.55 0.00 0.00 66.41 64.72 3kw3 h THR 350 Cb 0.76 1.04 -0.06 0.00 -1.73 0.00 0.00 68.15 68.16 3kw3 h THR 350 CO 0.05 0.45 0.56 0.44 -0.25 0.00 0.00 175.52 176.78 3kw3 h ASP 351 N 0.86 0.75 1.58 5.36 5.19 -1.14 -0.79 116.42 128.23 3kw3 h ASP 351 Ca 0.13 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3kw3 h ASP 351 Cb 0.71 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3kw3 h ASP 351 CO 0.05 0.44 -0.06 0.74 -3.12 0.00 0.00 179.24 177.29 3kw3 h THR 352 N 0.83 0.00 -5.08 0.35 2.02 -0.56 -3.48 112.91 106.99 3kw3 h THR 352 Ca 0.41 -0.64 -0.31 0.00 0.77 0.00 0.00 66.41 66.64 3kw3 h THR 352 Cb 0.45 1.60 0.13 0.00 -1.74 0.00 0.00 68.15 68.59 3kw3 h THR 352 CO -0.17 0.00 -0.61 -3.20 0.37 0.00 0.00 175.52 171.90 3kw3 n ASN 353 N -2.50 -3.74 -0.62 4.18 5.15 -0.04 -5.01 115.26 112.68 3kw3 n ASN 353 Ca 0.05 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 3kw3 n ASN 353 Cb 0.46 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 3kw3 n ASN 353 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3kw3 n THR 354 N -4.09 0.00 -4.11 -0.44 5.66 -0.03 -5.01 114.28 106.25 3kw3 n THR 354 Ca -0.13 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.63 3kw3 n THR 354 Cb 0.60 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.33 3kw3 n THR 354 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3kw3 s ILE 355 N -1.55 4.40 0.57 1.09 -4.36 -1.26 -4.30 121.20 115.78 3kw3 s ILE 355 Ca 0.00 -1.28 0.26 0.00 -0.26 0.00 0.00 60.65 59.37 3kw3 s ILE 355 Cb 0.00 -3.31 0.34 0.00 1.25 0.00 0.00 42.46 40.73 3kw3 s ILE 355 CO 0.00 -0.24 2.21 -0.65 0.24 0.00 0.00 174.94 176.51 3kw3 h PRO 356 N 1.96 0.00 -0.81 0.37 0.11 -1.92 -2.26 132.00 129.45 3kw3 h PRO 356 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3kw3 h PRO 356 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3kw3 h PRO 356 CO 0.62 0.00 0.53 0.45 -0.21 0.00 0.00 178.00 179.38 3kw3 h HIS 357 N 0.00 1.03 -0.01 0.65 3.86 -1.98 -1.75 115.15 116.94 3kw3 h HIS 357 Ca 0.01 0.02 -0.26 0.00 -1.16 0.00 0.00 60.37 58.98 3kw3 h HIS 357 Cb 0.07 -0.35 0.02 0.00 1.06 0.00 0.00 27.41 28.22 3kw3 h HIS 357 CO 0.00 0.65 -1.03 1.49 0.86 0.00 0.00 177.93 179.91 3kw3 h GLU 358 N 1.10 0.71 -0.23 2.45 4.81 -1.82 -1.14 114.58 120.47 3kw3 h GLU 358 Ca 0.30 -0.75 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 3kw3 h GLU 358 Cb -0.11 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3kw3 h GLU 358 CO -0.06 1.32 -0.03 0.82 -0.73 0.00 0.00 179.01 180.33 3kw3 h ILE 359 N 0.41 0.80 -0.12 2.32 1.08 -1.46 -0.37 117.51 120.18 3kw3 h ILE 359 Ca -0.12 -0.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3kw3 h ILE 359 Cb 1.68 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 3kw3 h ILE 359 CO 0.20 0.01 0.04 -0.07 -0.69 0.00 0.00 178.15 177.63 3kw3 h LEU 360 N 0.04 0.04 -0.59 1.44 3.38 -1.30 -2.13 115.31 116.18 3kw3 h LEU 360 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kw3 h LEU 360 Cb 0.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kw3 h LEU 360 CO -0.21 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.71 3kw3 n THR 361 N -5.07 0.85 0.99 0.22 -2.24 -0.43 -1.99 114.28 106.60 3kw3 n THR 361 Ca -0.05 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 3kw3 n THR 361 Cb 0.05 -1.13 0.52 0.00 -2.10 0.00 0.00 70.33 67.67 3kw3 n THR 361 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kw3 n SER 362 N -2.13 0.15 -4.66 3.42 7.64 -0.17 -4.82 113.62 113.05 3kw3 n SER 362 Ca 0.02 0.31 -0.51 0.00 1.01 0.00 0.00 58.87 59.70 3kw3 n SER 362 Cb 0.22 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 3kw3 n SER 362 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kw3 n LEU 363 N -1.53 2.61 -4.89 -3.43 4.77 -0.84 -4.09 117.00 109.60 3kw3 n LEU 363 Ca 0.07 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 3kw3 n LEU 363 Cb 0.34 -1.28 0.10 0.00 -2.33 0.00 0.00 43.42 40.25 3kw3 n LEU 363 CO 0.29 -0.47 0.79 -0.83 -1.33 0.00 0.00 177.39 175.84 3kw3 s GLY 364 N 2.23 1.60 0.00 -0.72 0.00 -0.37 -4.96 107.32 105.09 3kw3 s GLY 364 Ca 0.89 -0.66 0.28 0.00 0.00 0.00 0.00 44.72 45.23 3kw3 s GLY 364 CO 0.51 -0.15 1.78 0.28 0.00 0.00 0.00 173.10 175.51 3kw3 n LYS 365 N -3.37 0.83 0.01 2.90 4.76 -1.26 -4.00 118.16 118.02 3kw3 n LYS 365 Ca 0.08 -0.36 0.11 0.00 -2.87 0.00 0.00 58.31 55.27 3kw3 n LYS 365 Cb 0.61 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.34 3kw3 n LYS 365 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kw3 n ARG 366 N -0.77 0.10 -1.74 1.97 1.74 -1.26 -4.93 116.66 111.77 3kw3 n ARG 366 Ca 0.15 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 3kw3 n ARG 366 Cb 0.30 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 3kw3 n ARG 366 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kw3 n TYR 367 N -1.65 2.72 -2.36 -1.55 4.01 -1.26 -4.90 117.16 112.17 3kw3 n TYR 367 Ca 0.04 0.42 -0.42 0.00 -0.16 0.00 0.00 57.90 57.77 3kw3 n TYR 367 Cb 0.37 -2.52 -0.03 0.00 -0.31 0.00 0.00 39.34 36.86 3kw3 n TYR 367 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3kw3 s LYS 368 N -1.49 4.33 -0.25 -0.72 2.20 -0.22 -4.86 119.74 118.73 3kw3 s LYS 368 Ca 0.58 1.80 -0.10 0.00 -0.36 0.00 0.00 55.97 57.88 3kw3 s LYS 368 Cb -0.52 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 3kw3 s LYS 368 CO 0.58 -0.48 0.16 1.03 -0.36 0.00 0.00 175.35 176.29 3kw3 s ARG 369 N 2.16 4.01 -0.12 4.03 0.52 -1.26 -0.99 118.95 127.29 3kw3 s ARG 369 Ca 0.59 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 55.51 3kw3 s ARG 369 Cb -0.28 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 3kw3 s ARG 369 CO 0.24 -0.02 -0.15 0.42 0.02 0.00 0.00 175.30 175.81 3kw3 s ILE 370 N 1.29 2.83 -0.23 1.52 1.01 -0.50 -5.00 121.20 122.13 3kw3 s ILE 370 Ca 0.07 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 3kw3 s ILE 370 Cb -0.14 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3kw3 s ILE 370 CO 0.06 0.53 0.07 -0.31 0.00 0.00 0.00 174.94 175.29 3kw3 s TYR 371 N 0.35 3.13 0.00 3.97 2.02 -1.26 -0.20 117.35 125.36 3kw3 s TYR 371 Ca -0.13 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 3kw3 s TYR 371 Cb -0.16 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 3kw3 s TYR 371 CO 0.06 -0.20 0.46 0.44 -1.57 0.00 0.00 175.55 174.75