#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwp n GLY 12 N 0.00 -1.50 3.77 3.41 0.00 -1.26 -4.86 105.19 104.75 3kwp n GLY 12 Ca 0.00 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 3kwp n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kwp s GLY 13 N -2.41 2.82 -0.02 -0.02 0.00 -1.22 -4.85 107.32 101.61 3kwp s GLY 13 Ca 0.66 1.39 0.02 0.00 0.00 0.00 0.00 44.72 46.80 3kwp s GLY 13 CO 0.63 2.13 -0.06 0.30 0.00 0.00 0.00 173.10 176.09 3kwp s HIS 14 N -0.88 0.74 -0.23 1.90 0.09 -1.26 -3.96 115.29 111.68 3kwp s HIS 14 Ca 0.53 -0.18 -0.16 0.00 -0.00 0.00 0.00 55.06 55.25 3kwp s HIS 14 Cb -0.43 -0.56 -0.04 0.00 -0.00 0.00 0.00 32.58 31.55 3kwp s HIS 14 CO 0.54 -0.10 0.41 -1.17 -0.00 0.00 0.00 174.74 174.43 3kwp s LEU 15 N 0.34 4.11 -0.27 0.89 2.96 -0.44 -2.52 118.68 123.74 3kwp s LEU 15 Ca -0.05 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.21 3kwp s LEU 15 Cb -0.09 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 3kwp s LEU 15 CO 0.00 -0.14 0.20 -0.31 -1.32 0.00 0.00 176.35 174.78 3kwp s TYR 16 N 1.68 3.24 -0.43 5.38 1.51 0.05 0.34 117.35 129.12 3kwp s TYR 16 Ca 0.18 0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.19 3kwp s TYR 16 Cb -0.15 -2.37 0.02 0.00 -0.11 0.00 0.00 41.96 39.35 3kwp s TYR 16 CO 0.09 -0.12 0.72 -0.51 -1.11 0.00 0.00 175.55 174.62 3kwp s LEU 17 N 1.64 4.34 -0.26 -1.29 1.43 -0.04 -0.62 118.68 123.87 3kwp s LEU 17 Ca 0.08 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3kwp s LEU 17 Cb -0.15 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.21 3kwp s LEU 17 CO 0.10 -0.84 -0.01 -0.69 0.23 0.00 0.00 176.35 175.14 3kwp s VAL 18 N 3.07 3.35 0.42 -1.59 1.01 -0.48 -1.15 120.40 125.03 3kwp s VAL 18 Ca 0.27 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3kwp s VAL 18 Cb -0.13 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.50 3kwp s VAL 18 CO 0.21 0.22 1.15 -2.16 0.00 0.00 0.00 175.10 174.52 3kwp s PRO 19 N 1.42 3.98 0.30 2.72 0.04 -1.25 -4.40 135.00 137.82 3kwp s PRO 19 Ca 0.02 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.92 3kwp s PRO 19 Cb -0.16 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 3kwp s PRO 19 CO -0.02 -0.36 -0.08 0.95 0.04 0.00 0.00 177.00 177.52 3kwp s THR 20 N -1.48 1.93 0.98 1.26 -4.23 0.13 -4.83 115.64 109.41 3kwp s THR 20 Ca 0.59 -2.18 -0.13 0.00 -1.18 0.00 0.00 61.69 58.80 3kwp s THR 20 Cb -0.29 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.13 3kwp s THR 20 CO 0.36 -0.27 0.57 -2.65 -0.54 0.00 0.00 174.62 172.09 3kwp n PRO 21 N -0.67 -0.69 -1.86 3.99 -0.02 -1.26 -0.09 135.00 134.42 3kwp n PRO 21 Ca -0.05 -0.16 -0.27 0.00 -2.02 0.00 0.00 63.50 61.00 3kwp n PRO 21 Cb 0.63 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3kwp n PRO 21 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3kwp n ILE 22 N -3.98 2.79 0.00 4.25 -5.35 -1.26 -2.82 119.36 112.99 3kwp n ILE 22 Ca 0.07 -3.91 0.00 0.00 -0.27 0.00 0.00 62.75 58.63 3kwp n ILE 22 Cb 0.54 -1.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 3kwp n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kwp n GLY 23 N -0.76 1.32 3.00 3.28 0.00 -1.26 -4.79 105.19 105.98 3kwp n GLY 23 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.20 3kwp n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwp s ASN 24 N -1.46 3.43 0.58 1.61 3.84 -1.26 -4.74 114.94 116.94 3kwp s ASN 24 Ca 0.00 -0.90 0.28 0.00 0.21 0.00 0.00 52.86 52.45 3kwp s ASN 24 Cb 0.00 -1.24 1.72 0.00 -0.55 0.00 0.00 41.25 41.18 3kwp s ASN 24 CO 0.00 -0.15 2.20 -0.07 -2.79 0.00 0.00 177.10 176.30 3kwp h LEU 25 N 7.97 0.00 0.00 3.21 4.07 -1.96 -0.16 115.31 128.44 3kwp h LEU 25 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 3kwp h LEU 25 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 3kwp h LEU 25 CO 0.48 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.31 3kwp n ASP 26 N -3.91 0.00 -4.29 -0.43 8.00 -1.26 -4.93 116.55 109.72 3kwp n ASP 26 Ca -0.02 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.32 3kwp n ASP 26 Cb 0.15 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 3kwp n ASP 26 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kwp n ASP 27 N -1.40 4.11 -3.97 -2.24 8.00 -0.07 -5.09 116.55 115.90 3kwp n ASP 27 Ca 0.08 -2.84 -0.09 0.00 0.71 0.00 0.00 54.79 52.66 3kwp n ASP 27 Cb 0.23 -1.67 -0.10 0.00 -0.02 0.00 0.00 41.12 39.56 3kwp n ASP 27 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kwp s THR 29 N 5.36 0.14 0.32 -3.53 -4.23 -1.26 -4.66 115.64 107.79 3kwp s THR 29 Ca 0.55 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.95 3kwp s THR 29 Cb 0.06 -0.89 0.31 0.00 1.34 0.00 0.00 72.50 73.33 3kwp s THR 29 CO 0.06 -0.65 1.82 -0.26 -0.54 0.00 0.00 174.62 175.04 3kwp h PHE 30 N 3.75 0.97 0.00 3.99 -1.00 -2.00 -1.72 116.94 120.94 3kwp h PHE 30 Ca -0.33 0.03 -0.17 0.00 2.81 0.00 0.00 57.97 60.31 3kwp h PHE 30 Cb 1.18 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 3kwp h PHE 30 CO 0.56 0.29 -0.80 -0.09 -1.61 0.00 0.00 178.31 176.65 3kwp h ARG 31 N 0.76 0.00 0.03 1.51 2.43 -1.99 -1.09 114.38 116.03 3kwp h ARG 31 Ca 0.52 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.69 3kwp h ARG 31 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3kwp h ARG 31 CO -0.30 0.80 -0.01 0.00 -1.51 0.00 0.00 179.97 178.95 3kwp h ALA 32 N 1.20 -0.04 -0.19 2.80 0.00 -1.73 0.46 119.26 121.76 3kwp h ALA 32 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3kwp h ALA 32 Cb 1.52 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 3kwp h ALA 32 CO 0.10 -0.36 -0.24 0.28 0.00 0.00 0.00 179.25 179.03 3kwp h VAL 33 N -0.35 0.40 -0.49 0.00 2.07 -1.29 -0.66 116.25 115.93 3kwp h VAL 33 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kwp h VAL 33 Cb 0.33 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3kwp h VAL 33 CO 0.01 0.00 0.28 0.11 0.02 0.00 0.00 177.57 177.98 3kwp h LYS 34 N -0.27 0.68 0.02 1.57 1.57 -1.13 -0.17 116.57 118.84 3kwp h LYS 34 Ca 0.12 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kwp h LYS 34 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kwp h LYS 34 CO -0.35 0.52 -0.01 1.15 -0.57 0.00 0.00 179.45 180.19 3kwp h THR 35 N 0.65 1.09 0.00 -0.16 2.02 -0.73 0.14 112.91 115.92 3kwp h THR 35 Ca 0.17 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3kwp h THR 35 Cb 0.03 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3kwp h THR 35 CO -0.03 0.09 -0.19 -0.07 0.37 0.00 0.00 175.52 175.69 3kwp h LEU 36 N -0.18 0.00 -0.71 2.58 3.38 -0.98 -0.97 115.31 118.42 3kwp h LEU 36 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3kwp h LEU 36 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kwp h LEU 36 CO 0.00 0.19 -0.56 0.74 0.09 0.00 0.00 178.44 178.90 3kwp h THR 37 N 0.00 1.37 0.12 0.22 2.02 -0.44 -3.37 112.91 112.83 3kwp h THR 37 Ca -0.00 -1.88 -0.34 0.00 0.77 0.00 0.00 66.41 64.95 3kwp h THR 37 Cb 0.38 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 3kwp h THR 37 CO 0.02 0.56 -1.85 0.00 0.37 0.00 0.00 175.52 174.63 3kwp h ALA 38 N 1.23 0.42 -2.18 6.16 0.00 0.45 -3.46 119.26 121.88 3kwp h ALA 38 Ca -0.00 -1.32 -0.51 0.00 0.00 0.00 0.00 54.91 53.08 3kwp h ALA 38 Cb 1.04 0.57 0.21 0.00 0.00 0.00 0.00 17.79 19.62 3kwp h ALA 38 CO 0.09 1.28 -0.15 1.33 0.00 0.00 0.00 179.25 181.79 3kwp n VAL 39 N -3.43 0.00 0.12 0.00 0.24 -0.49 -4.93 118.33 109.83 3kwp n VAL 39 Ca -0.26 -0.13 0.05 0.00 -2.04 0.00 0.00 64.34 61.96 3kwp n VAL 39 Cb 1.05 -0.85 0.01 0.00 -1.47 0.00 0.00 33.84 32.59 3kwp n VAL 39 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kwp h ASP 40 N -1.89 0.00 -4.27 -1.34 3.32 -0.68 -3.48 116.42 108.08 3kwp h ASP 40 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 3kwp h ASP 40 Cb 1.29 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.62 3kwp h ASP 40 CO 0.39 0.35 -0.08 -0.22 -1.72 0.00 0.00 179.24 177.97 3kwp s LEU 41 N -6.03 0.01 -0.18 1.55 2.96 -1.17 -4.39 118.68 111.43 3kwp s LEU 41 Ca 0.02 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 3kwp s LEU 41 Cb 0.08 1.85 0.01 0.00 0.50 0.00 0.00 46.19 48.63 3kwp s LEU 41 CO 0.76 -0.29 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.70 3kwp s ILE 42 N -0.21 2.37 -0.49 6.68 1.01 -0.24 -1.40 121.20 128.91 3kwp s ILE 42 Ca -0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 3kwp s ILE 42 Cb -0.03 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.47 3kwp s ILE 42 CO 0.03 0.52 0.80 0.00 0.00 0.00 0.00 174.94 176.29 3kwp s ALA 43 N 1.21 3.26 0.05 9.38 0.00 0.30 -0.44 121.76 135.52 3kwp s ALA 43 Ca 0.02 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.85 3kwp s ALA 43 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3kwp s ALA 43 CO -0.08 -2.09 -0.21 0.00 0.00 0.00 0.00 175.76 173.38 3kwp s ALA 44 N 3.38 2.47 0.24 0.00 0.00 -0.11 -1.94 121.76 125.80 3kwp s ALA 44 Ca 0.27 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 3kwp s ALA 44 Cb -0.14 -0.63 0.23 0.00 0.00 0.00 0.00 23.12 22.59 3kwp s ALA 44 CO 0.20 0.56 1.90 1.49 0.00 0.00 0.00 175.76 179.90 3kwp h GLU 45 N 4.58 1.29 -2.61 0.00 4.81 -1.49 0.48 114.58 121.64 3kwp h GLU 45 Ca -0.47 -0.11 -0.56 0.00 -0.13 0.00 0.00 59.36 58.09 3kwp h GLU 45 Cb 1.15 -0.27 -0.39 0.00 0.63 0.00 0.00 28.75 29.87 3kwp h GLU 45 CO 0.46 0.89 -0.83 0.34 -0.73 0.00 0.00 179.01 179.14 3kwp s ASP 46 N -6.16 3.04 0.39 1.04 -1.08 -1.26 -4.63 116.67 108.01 3kwp s ASP 46 Ca -0.13 -1.95 0.10 0.00 -0.52 0.00 0.00 52.55 50.05 3kwp s ASP 46 Cb 0.17 -0.35 0.89 0.00 -1.46 0.00 0.00 42.92 42.17 3kwp s ASP 46 CO 0.82 -0.34 1.94 0.71 0.52 0.00 0.00 175.17 178.82 3kwp h THR 47 N 5.35 0.91 -0.28 1.71 1.35 -1.93 0.36 112.91 120.37 3kwp h THR 47 Ca -0.00 -0.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.60 3kwp h THR 47 Cb 0.98 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3kwp h THR 47 CO 0.30 0.11 -0.03 0.03 -0.25 0.00 0.00 175.52 175.67 3kwp h ARG 48 N 0.59 0.52 0.02 4.72 3.08 -1.98 0.26 114.38 121.59 3kwp h ARG 48 Ca 0.34 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3kwp h ARG 48 Cb 0.53 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kwp h ARG 48 CO -0.12 0.70 -0.01 -0.97 -1.07 0.00 0.00 179.97 178.50 3kwp h ASN 49 N 0.29 -0.02 -0.89 7.04 -1.24 -1.81 -2.99 115.58 115.97 3kwp h ASN 49 Ca 0.08 -0.35 0.15 0.00 0.71 0.00 0.00 56.30 56.88 3kwp h ASN 49 Cb 0.49 0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.47 3kwp h ASN 49 CO 0.02 0.35 0.57 0.74 -1.29 0.00 0.00 177.43 177.82 3kwp h THR 50 N -0.39 0.83 0.00 -3.57 2.02 -0.33 -2.06 112.91 109.42 3kwp h THR 50 Ca -0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3kwp h THR 50 Cb 0.37 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3kwp h THR 50 CO 0.00 0.12 -0.06 -0.61 0.37 0.00 0.00 175.52 175.34 3kwp h GLN 51 N 0.67 0.00 -0.15 6.66 5.75 -0.33 -2.03 115.11 125.68 3kwp h GLN 51 Ca 0.45 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.89 3kwp h GLN 51 Cb 0.74 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 3kwp h GLN 51 CO -0.20 0.06 -0.13 0.87 -2.65 0.00 0.00 178.83 176.78 3kwp h LYS 52 N 0.00 0.35 -0.61 1.69 1.57 -1.36 -2.13 116.57 116.08 3kwp h LYS 52 Ca -0.00 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3kwp h LYS 52 Cb 0.15 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 3kwp h LYS 52 CO 0.01 0.72 0.30 1.25 -0.57 0.00 0.00 179.45 181.16 3kwp h LEU 53 N -0.01 0.41 -0.66 2.94 5.85 -1.42 -2.22 115.31 120.20 3kwp h LEU 53 Ca 0.03 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3kwp h LEU 53 Cb 0.64 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3kwp h LEU 53 CO 0.03 0.26 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.12 3kwp h LEU 54 N 0.56 0.84 -0.65 2.25 3.38 -1.41 -2.36 115.31 117.91 3kwp h LEU 54 Ca 0.28 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kwp h LEU 54 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kwp h LEU 54 CO -0.21 1.02 0.37 0.78 0.09 0.00 0.00 178.44 180.49 3kwp h ASN 55 N 0.72 0.79 0.19 -0.43 2.35 -1.17 0.51 115.58 118.54 3kwp h ASN 55 Ca 0.10 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3kwp h ASN 55 Cb 0.73 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3kwp h ASN 55 CO 0.06 0.64 -0.29 -0.74 -1.65 0.00 0.00 177.43 175.44 3kwp h HIS 56 N 0.88 0.19 -0.55 1.19 2.76 -1.10 -0.14 115.15 118.38 3kwp h HIS 56 Ca 0.23 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3kwp h HIS 56 Cb 0.01 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.92 3kwp h HIS 56 CO -0.01 0.45 0.00 1.19 -1.30 0.00 0.00 177.93 178.26 3kwp n PHE 57 N -4.14 0.73 -2.85 5.26 3.72 -0.92 -4.96 117.46 114.29 3kwp n PHE 57 Ca -0.01 -0.36 -0.20 0.00 -0.05 0.00 0.00 57.45 56.82 3kwp n PHE 57 Cb 0.38 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.93 3kwp n PHE 57 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kwp n GLU 58 N 1.21 -3.40 -2.87 -1.08 1.02 0.80 -4.98 120.64 111.33 3kwp n GLU 58 Ca 0.20 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.70 3kwp n GLU 58 Cb 0.50 -5.52 -0.04 0.00 -0.02 0.00 0.00 31.44 26.37 3kwp n GLU 58 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kwp s ILE 59 N -2.99 4.94 -1.90 -3.67 1.01 0.14 -4.96 121.20 113.78 3kwp s ILE 59 Ca 0.20 1.77 0.16 0.00 0.00 0.00 0.00 60.65 62.78 3kwp s ILE 59 Cb -0.10 -4.19 0.16 0.00 0.01 0.00 0.00 42.46 38.35 3kwp s ILE 59 CO 0.25 0.21 1.04 0.35 0.00 0.00 0.00 174.94 176.79 3kwp n THR 60 N 3.81 0.11 -1.66 2.92 -2.24 -1.26 -4.42 114.28 111.55 3kwp n THR 60 Ca 0.02 -0.56 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 3kwp n THR 60 Cb 0.51 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 3kwp n THR 60 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kwp n THR 61 N 0.89 1.40 -1.87 4.28 -1.04 -1.26 -4.94 114.28 111.74 3kwp n THR 61 Ca 0.10 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.05 61.41 3kwp n THR 61 Cb 0.41 -1.38 0.05 0.00 -1.82 0.00 0.00 70.33 67.58 3kwp n THR 61 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3kwp s LYS 62 N -0.99 2.79 0.25 -2.82 2.20 -1.26 -4.87 119.74 115.04 3kwp s LYS 62 Ca 0.63 1.75 0.10 0.00 -0.36 0.00 0.00 55.97 58.10 3kwp s LYS 62 Cb -0.65 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 3kwp s LYS 62 CO 0.55 -1.33 -0.07 -0.65 -0.36 0.00 0.00 175.35 173.48 3kwp s GLN 63 N -3.54 2.09 -0.01 4.03 -0.21 -1.26 -1.08 119.66 119.68 3kwp s GLN 63 Ca 0.75 -1.46 0.01 0.00 0.02 0.00 0.00 55.36 54.69 3kwp s GLN 63 Cb -0.29 -2.07 0.01 0.00 1.00 0.00 0.00 33.01 31.66 3kwp s GLN 63 CO 0.36 0.37 -0.03 -1.50 -2.12 0.00 0.00 175.29 172.38 3kwp s ILE 64 N -2.20 0.30 0.35 1.08 1.10 0.42 -4.87 121.20 117.38 3kwp s ILE 64 Ca 0.29 -0.11 -0.26 0.00 -0.51 0.00 0.00 60.65 60.06 3kwp s ILE 64 Cb -0.07 -0.29 -0.09 0.00 0.15 0.00 0.00 42.46 42.16 3kwp s ILE 64 CO 0.17 0.11 1.10 -0.94 -2.11 0.00 0.00 174.94 173.28 3kwp s SER 65 N 0.24 6.90 -0.24 4.50 1.04 -1.26 -0.93 113.70 123.94 3kwp s SER 65 Ca -0.02 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.56 3kwp s SER 65 Cb -0.05 -2.61 0.12 0.00 0.10 0.00 0.00 66.02 63.58 3kwp s SER 65 CO -0.00 -0.40 0.47 0.12 0.98 0.00 0.00 173.24 174.40 3kwp s PHE 66 N -1.40 -1.01 0.12 5.02 5.36 0.17 -4.76 117.98 121.48 3kwp s PHE 66 Ca 0.52 1.51 -0.04 0.00 -0.96 0.00 0.00 56.93 57.96 3kwp s PHE 66 Cb -0.28 0.35 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3kwp s PHE 66 CO 0.36 -0.63 0.24 -2.39 -1.46 0.00 0.00 175.22 171.34 3kwp n HIS 67 N 5.40 -1.41 0.55 10.12 1.44 -1.26 -2.72 115.22 127.34 3kwp n HIS 67 Ca -0.07 -0.58 0.10 0.00 -2.01 0.00 0.00 57.72 55.16 3kwp n HIS 67 Cb 0.50 0.28 0.42 0.00 0.12 0.00 0.00 29.99 31.31 3kwp n HIS 67 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 3kwp n GLU 68 N -0.17 0.08 -0.31 -1.40 0.28 -1.26 -1.44 120.64 116.42 3kwp n GLU 68 Ca -0.03 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.35 3kwp n GLU 68 Cb 0.18 -1.64 0.29 0.00 1.43 0.00 0.00 31.44 31.71 3kwp n GLU 68 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kwp n HIS 69 N -1.79 0.82 0.00 -1.84 8.25 -1.26 -4.45 115.22 114.95 3kwp n HIS 69 Ca 0.04 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3kwp n HIS 69 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3kwp n HIS 69 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3kwp n ASN 70 N 1.55 4.23 -0.20 0.41 2.85 -0.52 -4.88 115.26 118.70 3kwp n ASN 70 Ca 0.23 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.67 3kwp n ASN 70 Cb 0.60 0.81 0.08 0.00 1.24 0.00 0.00 39.78 42.51 3kwp n ASN 70 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3kwp h THR 71 N 0.00 0.95 0.00 -0.44 1.35 -1.71 0.28 112.91 113.34 3kwp h THR 71 Ca 0.00 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 3kwp h THR 71 Cb 0.08 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 66.80 3kwp h THR 71 CO 0.00 0.11 -0.03 1.56 -0.25 0.00 0.00 175.52 176.91 3kwp h GLN 72 N 0.60 0.00 0.03 4.72 1.08 -1.91 -0.57 115.11 119.06 3kwp h GLN 72 Ca 0.27 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.08 3kwp h GLN 72 Cb 0.17 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 3kwp h GLN 72 CO -0.18 0.03 -2.38 -1.91 -0.95 0.00 0.00 178.83 173.44 3kwp n GLU 73 N -3.14 0.67 0.06 1.46 2.13 -0.55 -4.63 120.64 116.63 3kwp n GLU 73 Ca 0.00 0.17 -0.13 0.00 0.66 0.00 0.00 57.16 57.86 3kwp n GLU 73 Cb 0.29 -1.56 -0.04 0.00 0.27 0.00 0.00 31.44 30.40 3kwp n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kwp h ARG 74 N 0.01 0.45 0.27 5.31 2.47 -0.26 -3.27 114.38 119.37 3kwp h ARG 74 Ca -0.55 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 57.70 3kwp h ARG 74 Cb 1.93 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 3kwp h ARG 74 CO -0.05 1.11 -0.13 0.82 0.56 0.00 0.00 179.97 182.28 3kwp h ILE 75 N 0.27 0.76 -0.92 2.04 2.04 -1.33 0.15 117.51 120.50 3kwp h ILE 75 Ca -0.07 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.69 3kwp h ILE 75 Cb 1.53 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 3kwp h ILE 75 CO 0.16 0.04 0.60 -0.65 0.00 0.00 0.00 178.15 178.30 3kwp h PRO 76 N -0.45 0.98 -0.69 2.37 0.11 -1.81 0.38 132.00 132.88 3kwp h PRO 76 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3kwp h PRO 76 Cb 0.34 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3kwp h PRO 76 CO 0.06 0.65 0.40 1.96 -0.21 0.00 0.00 178.00 180.86 3kwp h GLN 77 N 1.01 0.94 0.03 1.05 4.20 -1.51 -2.16 115.11 118.68 3kwp h GLN 77 Ca 0.41 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 3kwp h GLN 77 Cb 0.27 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.86 3kwp h GLN 77 CO -0.17 0.68 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.31 3kwp h LEU 78 N 0.96 0.19 -0.58 1.46 3.38 0.29 -2.85 115.31 118.16 3kwp h LEU 78 Ca 0.25 -0.90 0.12 0.00 0.09 0.00 0.00 57.88 57.43 3kwp h LEU 78 Cb -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 3kwp h LEU 78 CO -0.04 1.08 -0.05 0.40 0.09 0.00 0.00 178.44 179.92 3kwp h ILE 79 N -0.66 0.49 -0.38 1.22 1.08 -1.03 -0.51 117.51 117.71 3kwp h ILE 79 Ca -0.05 -0.03 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 3kwp h ILE 79 Cb 1.15 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 3kwp h ILE 79 CO 0.06 0.01 0.03 0.00 -0.69 0.00 0.00 178.15 177.56 3kwp h ALA 80 N 1.55 0.37 -0.30 1.87 0.00 -1.40 0.12 119.26 121.47 3kwp h ALA 80 Ca 0.30 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 3kwp h ALA 80 Cb 0.47 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kwp h ALA 80 CO -0.53 -0.37 -0.10 0.87 0.00 0.00 0.00 179.25 179.12 3kwp h LYS 81 N 0.14 0.50 -0.24 0.00 1.57 -1.18 -2.29 116.57 115.06 3kwp h LYS 81 Ca 0.19 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3kwp h LYS 81 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3kwp h LYS 81 CO -0.29 0.60 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.12 3kwp h LEU 82 N 0.47 0.43 -2.67 2.94 3.38 -0.19 -2.75 115.31 116.91 3kwp h LEU 82 Ca 0.09 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kwp h LEU 82 Cb 0.46 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kwp h LEU 82 CO 0.03 0.64 -0.00 0.11 0.09 0.00 0.00 178.44 179.30 3kwp h LYS 83 N 0.20 0.00 0.00 1.13 1.57 -0.56 0.17 116.57 119.08 3kwp h LYS 83 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kwp h LYS 83 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kwp h LYS 83 CO 0.01 0.00 -0.14 1.04 -0.57 0.00 0.00 179.45 179.80 3kwp n GLN 84 N -3.14 0.08 0.00 3.15 6.02 -0.88 -4.93 117.38 117.68 3kwp n GLN 84 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3kwp n GLN 84 Cb 0.12 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3kwp n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kwp n GLY 85 N 1.45 0.33 2.72 1.08 0.00 0.60 -4.95 105.19 106.43 3kwp n GLY 85 Ca 0.06 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 3kwp n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kwp s GLN 87 N -0.11 0.05 0.01 1.61 -1.52 -1.26 -3.93 119.66 114.51 3kwp s GLN 87 Ca 0.00 0.26 0.08 0.00 -1.95 0.00 0.00 55.36 53.75 3kwp s GLN 87 Cb 0.00 -0.97 -0.02 0.00 -0.22 0.00 0.00 33.01 31.80 3kwp s GLN 87 CO 0.00 -0.49 -0.24 0.42 -0.25 0.00 0.00 175.29 174.73 3kwp s ILE 88 N 2.23 1.93 -0.07 1.08 1.01 -1.05 0.11 121.20 126.45 3kwp s ILE 88 Ca 0.04 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.54 3kwp s ILE 88 Cb -0.14 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3kwp s ILE 88 CO -0.07 0.42 -0.10 0.00 0.00 0.00 0.00 174.94 175.19 3kwp s ALA 89 N -0.68 2.83 -0.15 9.38 0.00 -0.49 -0.77 121.76 131.88 3kwp s ALA 89 Ca 0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3kwp s ALA 89 Cb -0.09 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3kwp s ALA 89 CO 0.00 0.54 -0.08 -1.14 0.00 0.00 0.00 175.76 175.09 3kwp s GLN 90 N -0.69 3.52 0.06 0.00 -0.44 0.21 0.11 119.66 122.43 3kwp s GLN 90 Ca 0.10 -0.60 0.06 0.00 -2.50 0.00 0.00 55.36 52.43 3kwp s GLN 90 Cb -0.11 -2.81 -0.03 0.00 -1.64 0.00 0.00 33.01 28.42 3kwp s GLN 90 CO 0.01 0.18 -0.17 0.14 0.50 0.00 0.00 175.29 175.95 3kwp s VAL 91 N 0.49 1.39 0.41 1.34 -7.23 -0.82 -1.39 120.40 114.59 3kwp s VAL 91 Ca -0.06 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 3kwp s VAL 91 Cb -0.15 -1.27 0.07 0.00 0.56 0.00 0.00 36.38 35.60 3kwp s VAL 91 CO 0.03 -0.02 0.56 -1.54 -0.31 0.00 0.00 175.10 173.83 3kwp n SER 92 N 1.54 1.34 -0.00 4.85 3.41 -1.26 -3.24 113.62 120.26 3kwp n SER 92 Ca -0.19 -1.99 -0.05 0.00 -0.26 0.00 0.00 58.87 56.38 3kwp n SER 92 Cb 0.54 -0.31 0.15 0.00 -0.26 0.00 0.00 64.21 64.33 3kwp n SER 92 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3kwp h ASP 93 N -0.01 0.55 -3.38 4.04 3.58 -1.95 -3.45 116.42 115.80 3kwp h ASP 93 Ca -0.19 -0.21 -0.12 0.00 0.42 0.00 0.00 57.03 56.93 3kwp h ASP 93 Cb 0.84 -0.15 -0.26 0.00 1.72 0.00 0.00 39.33 41.48 3kwp h ASP 93 CO 0.26 0.83 -0.30 0.00 -2.88 0.00 0.00 179.24 177.14 3kwp s ALA 94 N -4.41 -1.00 0.00 -0.78 0.00 -1.26 -4.94 121.76 109.37 3kwp s ALA 94 Ca -0.07 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3kwp s ALA 94 Cb 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3kwp s ALA 94 CO 0.81 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.73 3kwp n GLY 95 N 3.94 1.07 3.27 0.00 0.00 0.88 -4.84 105.19 109.51 3kwp n GLY 95 Ca -0.21 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3kwp n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kwp s PRO 97 N 0.00 0.98 -0.39 1.61 0.04 -1.26 0.22 135.00 136.21 3kwp s PRO 97 Ca 0.00 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.17 3kwp s PRO 97 Cb 0.00 0.40 0.00 0.00 0.04 0.00 0.00 34.50 34.94 3kwp s PRO 97 CO 0.00 -0.35 0.00 0.43 0.04 0.00 0.00 177.00 177.12 3kwp n SER 98 N -0.15 -4.21 0.09 6.66 7.64 -1.26 -4.82 113.62 117.58 3kwp n SER 98 Ca -0.15 0.09 -0.15 0.00 1.01 0.00 0.00 58.87 59.68 3kwp n SER 98 Cb 0.63 -2.03 -0.09 0.00 -1.01 0.00 0.00 64.21 61.71 3kwp n SER 98 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3kwp h ILE 99 N 0.00 1.45 -4.17 0.44 2.04 -2.01 -3.33 117.51 111.93 3kwp h ILE 99 Ca -0.07 -2.77 -0.48 0.00 1.00 0.00 0.00 64.86 62.53 3kwp h ILE 99 Cb 0.49 2.71 0.08 0.00 -0.74 0.00 0.00 36.82 39.36 3kwp h ILE 99 CO 0.11 0.82 0.32 -0.44 0.00 0.00 0.00 178.15 178.96 3kwp s SER 100 N -7.13 5.19 0.13 1.72 0.01 -1.26 -4.86 113.70 107.51 3kwp s SER 100 Ca -0.05 0.84 -0.22 0.00 1.31 0.00 0.00 55.95 57.83 3kwp s SER 100 Cb 0.08 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 3kwp s SER 100 CO 0.88 -1.42 1.67 0.44 0.41 0.00 0.00 173.24 175.21 3kwp h ASP 101 N -0.60 -0.47 -0.91 2.44 3.32 -1.98 -1.76 116.42 116.45 3kwp h ASP 101 Ca -0.45 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 3kwp h ASP 101 Cb 1.28 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 41.01 3kwp h ASP 101 CO 0.63 -0.20 0.54 1.55 -1.72 0.00 0.00 179.24 180.04 3kwp h PRO 102 N -0.18 1.25 0.11 3.56 0.13 -1.95 0.19 132.00 135.11 3kwp h PRO 102 Ca 0.10 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3kwp h PRO 102 Cb 0.32 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.20 3kwp h PRO 102 CO -0.25 0.89 -0.05 0.78 -0.23 0.00 0.00 178.00 179.14 3kwp h GLY 103 N 1.27 -0.15 0.11 1.56 0.00 -1.90 -2.43 103.07 101.54 3kwp h GLY 103 Ca 0.33 0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.85 3kwp h GLY 103 CO -0.06 -0.06 0.23 0.84 0.00 0.00 0.00 176.54 177.50 3kwp h HIS 104 N -0.52 0.39 -0.87 5.60 -0.00 -0.98 -0.29 115.15 118.48 3kwp h HIS 104 Ca -0.01 0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3kwp h HIS 104 Cb 0.42 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.72 3kwp h HIS 104 CO 0.05 0.01 0.56 1.49 -0.00 0.00 0.00 177.93 180.04 3kwp h GLU 105 N 0.36 1.07 -0.28 5.26 4.81 -0.66 -2.00 114.58 123.15 3kwp h GLU 105 Ca 0.39 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 3kwp h GLU 105 Cb 0.61 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3kwp h GLU 105 CO -0.42 0.71 -0.34 1.25 -0.73 0.00 0.00 179.01 179.47 3kwp h LEU 106 N 1.10 0.63 -0.06 1.64 5.85 -0.69 -2.67 115.31 121.12 3kwp h LEU 106 Ca 0.34 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kwp h LEU 106 Cb -0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3kwp h LEU 106 CO -0.11 0.92 0.00 0.58 -0.34 0.00 0.00 178.44 179.50 3kwp h VAL 107 N 0.51 0.97 -0.72 1.05 2.07 -0.77 -1.58 116.25 117.78 3kwp h VAL 107 Ca 0.06 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3kwp h VAL 107 Cb 0.83 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3kwp h VAL 107 CO 0.07 0.01 0.47 0.78 0.02 0.00 0.00 177.57 178.92 3kwp h ASN 108 N 0.03 0.63 -0.37 0.57 2.35 -1.34 -0.71 115.58 116.73 3kwp h ASN 108 Ca 0.03 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3kwp h ASN 108 Cb 0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3kwp h ASN 108 CO -0.04 0.40 -0.12 0.00 -1.65 0.00 0.00 177.43 176.02 3kwp h ALA 109 N 1.62 0.96 -0.42 -0.83 0.00 -1.13 -1.23 119.26 118.22 3kwp h ALA 109 Ca 0.32 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kwp h ALA 109 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kwp h ALA 109 CO -0.11 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.84 3kwp h ILE 111 N 0.55 1.23 -0.24 0.00 2.04 -1.09 0.23 117.51 120.23 3kwp h ILE 111 Ca 0.13 -0.53 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 3kwp h ILE 111 Cb 0.36 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3kwp h ILE 111 CO 0.01 0.25 -0.47 0.44 0.00 0.00 0.00 178.15 178.37 3kwp h ASP 112 N 1.10 0.68 -0.43 1.72 3.32 -0.85 -2.81 116.42 119.15 3kwp h ASP 112 Ca 0.28 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3kwp h ASP 112 Cb -0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3kwp h ASP 112 CO -0.05 1.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.52 3kwp n ALA 113 N -2.52 2.50 -3.90 3.45 0.00 -0.22 -4.93 120.51 114.89 3kwp n ALA 113 Ca -0.03 -0.80 -0.29 0.00 0.00 0.00 0.00 53.44 52.32 3kwp n ALA 113 Cb 0.56 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 19.07 3kwp n ALA 113 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kwp n HIS 114 N 0.76 -2.23 -3.47 0.00 8.25 -0.11 -4.99 115.22 113.43 3kwp n HIS 114 Ca 0.15 0.89 -0.37 0.00 -0.26 0.00 0.00 57.72 58.13 3kwp n HIS 114 Cb 0.41 -4.00 -0.06 0.00 1.12 0.00 0.00 29.99 27.45 3kwp n HIS 114 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kwp s ILE 115 N -3.36 5.19 0.61 1.59 -1.09 0.64 -5.02 121.20 119.76 3kwp s ILE 115 Ca 0.57 0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 59.57 3kwp s ILE 115 Cb -0.29 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3kwp s ILE 115 CO 0.83 0.44 1.17 -2.84 -1.23 0.00 0.00 174.94 173.31 3kwp s PRO 116 N -0.04 2.95 -0.16 2.79 0.02 -1.25 -4.30 135.00 135.00 3kwp s PRO 116 Ca 0.22 1.67 0.01 0.00 0.02 0.00 0.00 61.00 62.91 3kwp s PRO 116 Cb -0.15 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.45 3kwp s PRO 116 CO 0.09 -1.19 -0.16 0.08 -0.33 0.00 0.00 177.00 175.49 3kwp s VAL 117 N -1.84 1.75 -0.40 3.83 1.01 -1.26 -1.32 120.40 122.17 3kwp s VAL 117 Ca 0.74 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3kwp s VAL 117 Cb -0.26 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.56 3kwp s VAL 117 CO 0.34 0.45 0.21 -0.69 0.00 0.00 0.00 175.10 175.41 3kwp s VAL 118 N 1.41 3.91 -0.10 2.92 1.01 0.15 -4.98 120.40 124.72 3kwp s VAL 118 Ca 0.04 -1.47 -0.24 0.00 0.00 0.00 0.00 61.98 60.31 3kwp s VAL 118 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3kwp s VAL 118 CO -0.11 -0.46 0.75 -2.16 0.00 0.00 0.00 175.10 173.12 3kwp s PRO 119 N 1.36 4.39 0.16 2.72 0.04 -1.26 -0.87 135.00 141.54 3kwp s PRO 119 Ca 0.03 0.94 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 3kwp s PRO 119 Cb -0.22 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.75 3kwp s PRO 119 CO 0.01 -0.08 0.68 -0.51 0.04 0.00 0.00 177.00 177.13 3kwp s LEU 120 N 1.29 4.45 0.63 -3.56 1.02 -0.30 -4.93 118.68 117.28 3kwp s LEU 120 Ca 0.38 1.39 -0.12 0.00 0.02 0.00 0.00 54.13 55.80 3kwp s LEU 120 Cb -0.17 -3.30 -0.03 0.00 0.02 0.00 0.00 46.19 42.71 3kwp s LEU 120 CO 0.17 0.15 1.04 -2.16 0.02 0.00 0.00 176.35 175.56 3kwp s PRO 121 N -1.55 3.36 0.00 1.29 0.04 -1.26 -4.55 135.00 132.32 3kwp s PRO 121 Ca 0.37 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3kwp s PRO 121 Cb -0.19 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3kwp s PRO 121 CO 0.21 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.90 3kwp n GLY 122 N -2.09 -1.47 3.66 0.56 0.00 -1.26 -4.75 105.19 99.84 3kwp n GLY 122 Ca 0.07 -1.02 -0.46 0.00 0.00 0.00 0.00 46.02 44.60 3kwp n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwp n ALA 123 N 0.00 0.97 -3.65 4.61 0.00 -1.26 -5.02 120.51 116.17 3kwp n ALA 123 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 3kwp n ALA 123 Cb 0.00 -2.29 -0.17 0.00 0.00 0.00 0.00 19.45 16.98 3kwp n ALA 123 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kwp s ASN 124 N 0.69 1.50 0.18 0.00 3.84 -1.26 -4.53 114.94 115.36 3kwp s ASN 124 Ca 0.77 -0.13 -0.12 0.00 0.21 0.00 0.00 52.86 53.59 3kwp s ASN 124 Cb -0.71 -0.12 0.10 0.00 -0.55 0.00 0.00 41.25 39.96 3kwp s ASN 124 CO 0.42 -0.28 1.81 0.00 -2.79 0.00 0.00 177.10 176.26 3kwp h ALA 125 N 8.42 0.79 -0.39 1.71 0.00 -1.96 -1.67 119.26 126.16 3kwp h ALA 125 Ca -0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kwp h ALA 125 Cb 1.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3kwp h ALA 125 CO 0.20 0.29 0.24 0.78 0.00 0.00 0.00 179.25 180.75 3kwp h GLY 126 N 0.84 0.57 0.97 0.00 0.00 -1.97 -1.25 103.07 102.24 3kwp h GLY 126 Ca 0.22 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3kwp h GLY 126 CO -0.04 0.23 -0.43 -2.00 0.00 0.00 0.00 176.54 174.29 3kwp h LEU 127 N 0.52 0.74 -0.53 3.11 5.85 -1.97 -1.82 115.31 121.20 3kwp h LEU 127 Ca 0.14 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 58.38 3kwp h LEU 127 Cb -0.00 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 3kwp h LEU 127 CO -0.03 1.16 0.19 0.74 -0.34 0.00 0.00 178.44 180.16 3kwp h THR 128 N 0.35 0.81 -0.30 1.05 2.02 -1.23 -1.77 112.91 113.84 3kwp h THR 128 Ca 0.00 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3kwp h THR 128 Cb 1.04 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3kwp h THR 128 CO 0.10 0.07 0.20 0.00 0.37 0.00 0.00 175.52 176.25 3kwp h ALA 129 N 1.36 0.38 -0.61 6.16 0.00 -1.24 -3.19 119.26 122.13 3kwp h ALA 129 Ca 0.26 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.27 3kwp h ALA 129 Cb 0.29 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3kwp h ALA 129 CO -0.27 -0.16 0.13 1.25 0.00 0.00 0.00 179.25 180.21 3kwp h LEU 130 N 0.40 0.01 -1.89 0.00 5.85 -0.49 -0.66 115.31 118.53 3kwp h LEU 130 Ca 0.11 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3kwp h LEU 130 Cb -0.04 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kwp h LEU 130 CO -0.03 0.01 -0.08 0.16 -0.34 0.00 0.00 178.44 178.15 3kwp h ILE 131 N 0.27 0.34 -0.22 4.05 3.07 -1.38 -1.19 117.51 122.44 3kwp h ILE 131 Ca 0.32 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 66.22 3kwp h ILE 131 Cb 0.48 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3kwp h ILE 131 CO -0.41 0.08 0.00 0.00 -1.05 0.00 0.00 178.15 176.78 3kwp n ALA 132 N -2.20 2.45 0.03 0.16 0.00 -0.29 -4.57 120.51 116.09 3kwp n ALA 132 Ca -0.01 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 3kwp n ALA 132 Cb 0.25 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3kwp n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwp h SER 133 N 4.36 0.69 0.00 0.00 4.64 -0.84 -3.46 113.55 118.93 3kwp h SER 133 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kwp h SER 133 Cb 0.94 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3kwp h SER 133 CO 0.00 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 3kwp n GLY 134 N 0.69 0.79 3.81 -0.77 0.00 -1.26 -5.00 105.19 103.45 3kwp n GLY 134 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3kwp n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwp s LEU 135 N 0.00 3.96 -0.13 0.99 1.43 -1.26 -4.98 118.68 118.69 3kwp s LEU 135 Ca 0.00 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 3kwp s LEU 135 Cb 0.00 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.65 3kwp s LEU 135 CO 0.00 -0.45 2.09 0.00 0.23 0.00 0.00 176.35 178.22 3kwp n ALA 136 N -0.60 1.51 1.68 4.21 0.00 -1.26 -4.85 120.51 121.20 3kwp n ALA 136 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3kwp n ALA 136 Cb 0.53 -2.74 0.57 0.00 0.00 0.00 0.00 19.45 17.81 3kwp n ALA 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kwp n PRO 137 N 7.98 1.34 -3.66 0.00 -0.04 -1.26 -4.38 135.00 134.97 3kwp n PRO 137 Ca 0.27 -0.50 -0.07 0.00 -0.04 0.00 0.00 63.50 63.16 3kwp n PRO 137 Cb 0.39 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3kwp n PRO 137 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3kwp s GLN 138 N -1.94 0.53 0.94 0.54 0.74 -1.26 -4.51 119.66 114.71 3kwp s GLN 138 Ca 0.35 1.15 -0.11 0.00 0.05 0.00 0.00 55.36 56.80 3kwp s GLN 138 Cb 0.17 0.33 0.16 0.00 1.10 0.00 0.00 33.01 34.77 3kwp s GLN 138 CO 0.28 -0.18 1.11 -2.14 -0.55 0.00 0.00 175.29 173.80 3kwp s PRO 139 N 2.10 0.85 0.07 1.67 0.02 -1.26 -5.02 135.00 133.43 3kwp s PRO 139 Ca -0.07 1.26 -0.17 0.00 0.02 0.00 0.00 61.00 62.04 3kwp s PRO 139 Cb -0.09 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.74 3kwp s PRO 139 CO -0.17 -2.65 0.40 -0.59 -0.33 0.00 0.00 177.00 173.66 3kwp s PHE 140 N -2.69 -0.22 -0.30 6.54 -0.12 -1.26 -3.95 117.98 115.97 3kwp s PHE 140 Ca 0.66 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.61 3kwp s PHE 140 Cb -0.22 0.22 0.09 0.00 -0.63 0.00 0.00 43.02 42.48 3kwp s PHE 140 CO 0.59 -0.61 0.05 -0.47 -0.05 0.00 0.00 175.22 174.73 3kwp s TYR 141 N -3.00 2.35 -0.15 3.49 5.04 -0.41 -5.02 117.35 119.65 3kwp s TYR 141 Ca -0.02 -2.03 -0.24 0.00 -2.44 0.00 0.00 57.07 52.34 3kwp s TYR 141 Cb 0.00 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.31 3kwp s TYR 141 CO -0.06 -0.86 0.76 0.12 -1.34 0.00 0.00 175.55 174.16 3kwp s PHE 142 N 1.40 3.44 -0.08 4.97 5.36 -1.26 -1.46 117.98 130.35 3kwp s PHE 142 Ca 0.07 1.18 -0.01 0.00 -0.96 0.00 0.00 56.93 57.21 3kwp s PHE 142 Cb -0.18 -2.92 -0.05 0.00 -0.34 0.00 0.00 43.02 39.53 3kwp s PHE 142 CO -0.16 -0.15 -0.08 0.98 -1.46 0.00 0.00 175.22 174.34 3kwp n TYR 143 N 4.87 0.00 -0.93 10.12 4.19 0.37 -4.93 117.16 130.85 3kwp n TYR 143 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 3kwp n TYR 143 Cb 0.50 -0.30 0.00 0.00 0.49 0.00 0.00 39.34 40.03 3kwp n TYR 143 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3kwp n GLY 144 N 2.93 0.91 3.72 2.98 0.00 -1.04 -4.90 105.19 109.79 3kwp n GLY 144 Ca -0.15 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3kwp n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kwp s PHE 145 N 0.00 3.57 0.90 1.61 0.40 -1.26 0.33 117.98 123.54 3kwp s PHE 145 Ca 0.00 1.53 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 3kwp s PHE 145 Cb 0.00 -3.28 0.13 0.00 0.51 0.00 0.00 43.02 40.38 3kwp s PHE 145 CO 0.00 -0.67 1.09 -0.51 0.70 0.00 0.00 175.22 175.83 3kwp s LEU 146 N 0.40 2.24 0.52 -0.37 1.43 -1.26 -4.94 118.68 116.69 3kwp s LEU 146 Ca 0.53 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.92 3kwp s LEU 146 Cb -0.27 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 41.96 3kwp s LEU 146 CO 0.31 -2.70 1.29 -0.67 0.23 0.00 0.00 176.35 174.81 3kwp n ASP 147 N -3.93 2.44 -0.07 2.29 2.03 -1.26 -4.93 116.55 113.12 3kwp n ASP 147 Ca 0.07 1.00 -0.12 0.00 0.52 0.00 0.00 54.79 56.26 3kwp n ASP 147 Cb 0.55 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.36 3kwp n ASP 147 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3kwp h ARG 148 N 1.53 0.44 -6.22 -0.67 0.11 -1.96 -3.43 114.38 104.18 3kwp h ARG 148 Ca -0.50 -0.19 -0.56 0.00 0.10 0.00 0.00 59.98 58.83 3kwp h ARG 148 Cb 1.31 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.34 3kwp h ARG 148 CO 0.57 0.73 0.97 -1.59 0.10 0.00 0.00 179.97 180.75 3kwp s LYS 149 N -4.58 4.12 0.25 0.08 -2.85 -1.26 -4.94 119.74 110.57 3kwp s LYS 149 Ca -0.14 1.68 -0.11 0.00 -1.00 0.00 0.00 55.97 56.40 3kwp s LYS 149 Cb 0.07 -3.86 0.36 0.00 -2.06 0.00 0.00 37.83 32.34 3kwp s LYS 149 CO 0.76 -0.87 1.57 -1.35 0.10 0.00 0.00 175.35 175.56 3kwp h PRO 150 N 8.93 -0.01 -0.94 1.78 0.11 -2.01 -0.45 132.00 139.41 3kwp h PRO 150 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3kwp h PRO 150 Cb 1.12 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3kwp h PRO 150 CO 0.98 -0.01 0.56 1.57 -0.21 0.00 0.00 178.00 180.89 3kwp h LYS 151 N -0.01 1.28 0.00 1.05 5.09 -1.97 -2.93 116.57 119.08 3kwp h LYS 151 Ca 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 60.65 61.02 3kwp h LYS 151 Cb 0.66 -0.27 -0.00 0.00 0.10 0.00 0.00 32.23 32.72 3kwp h LYS 151 CO -0.95 0.90 -0.06 -0.44 -2.09 0.00 0.00 179.45 176.81 3kwp h ASP 152 N 1.30 0.00 0.03 7.07 5.19 -1.49 -3.22 116.42 125.29 3kwp h ASP 152 Ca 0.34 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 3kwp h ASP 152 Cb -0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.47 3kwp h ASP 152 CO -0.06 0.06 -0.01 -0.09 -3.12 0.00 0.00 179.24 176.01 3kwp h ARG 153 N 0.00 -0.04 -0.96 3.56 2.43 -1.23 -2.93 114.38 115.22 3kwp h ARG 153 Ca -0.00 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.43 3kwp h ARG 153 Cb 0.79 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 3kwp h ARG 153 CO 0.01 0.44 0.66 0.87 -1.51 0.00 0.00 179.97 180.44 3kwp h LYS 154 N -0.98 0.18 0.17 0.20 1.79 -1.60 -1.86 116.57 114.46 3kwp h LYS 154 Ca -0.00 -0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.18 3kwp h LYS 154 Cb 0.50 -0.04 0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3kwp h LYS 154 CO 0.01 0.12 -1.17 0.00 -1.08 0.00 0.00 179.45 177.32 3kwp h ALA 155 N 1.56 -0.09 0.00 3.86 0.00 -1.66 -2.99 119.26 119.95 3kwp h ALA 155 Ca 0.48 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3kwp h ALA 155 Cb 1.59 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3kwp h ALA 155 CO -0.11 0.58 -0.26 1.05 0.00 0.00 0.00 179.25 180.52 3kwp h GLU 156 N 0.03 0.00 0.17 0.00 4.11 -1.16 -2.50 114.58 115.23 3kwp h GLU 156 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 3kwp h GLU 156 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 3kwp h GLU 156 CO 0.22 0.26 -0.08 0.82 0.07 0.00 0.00 179.01 180.29 3kwp h ILE 157 N 0.00 0.94 -0.73 -1.06 2.04 -1.49 -3.21 117.51 114.00 3kwp h ILE 157 Ca -0.00 -0.87 0.14 0.00 1.00 0.00 0.00 64.86 65.13 3kwp h ILE 157 Cb 0.66 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 3kwp h ILE 157 CO 0.03 0.19 0.49 0.00 0.00 0.00 0.00 178.15 178.86 3kwp h ALA 158 N 0.01 2.08 -0.03 1.87 0.00 -1.35 0.71 119.26 122.55 3kwp h ALA 158 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kwp h ALA 158 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kwp h ALA 158 CO 0.04 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.42 3kwp n GLY 159 N -1.52 -0.85 0.00 0.00 0.00 -0.96 -2.71 105.19 99.15 3kwp n GLY 159 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kwp n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kwp n LEU 160 N -0.46 1.07 0.00 0.99 4.32 0.22 -4.81 117.00 118.34 3kwp n LEU 160 Ca 0.04 -1.07 0.14 0.00 -0.02 0.00 0.00 56.01 55.10 3kwp n LEU 160 Cb 0.04 0.00 0.70 0.00 -1.62 0.00 0.00 43.42 42.55 3kwp n LEU 160 CO 0.03 0.27 1.00 0.00 -1.22 0.00 0.00 177.39 177.46 3kwp n ALA 161 N -0.24 2.42 0.47 -1.18 0.00 -1.09 -2.91 120.51 117.98 3kwp n ALA 161 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.38 3kwp n ALA 161 Cb 0.30 -1.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 3kwp n ALA 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kwp n GLN 162 N -1.37 1.71 -1.58 0.00 1.13 -1.26 -4.58 117.38 111.44 3kwp n GLN 162 Ca 0.12 -0.04 -0.51 0.00 -1.94 0.00 0.00 57.00 54.62 3kwp n GLN 162 Cb 0.28 -1.23 -0.05 0.00 0.11 0.00 0.00 30.24 29.34 3kwp n GLN 162 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kwp n ARG 163 N -1.54 1.05 0.00 -1.09 5.12 -1.15 -4.60 116.66 114.46 3kwp n ARG 163 Ca 0.01 0.38 0.13 0.00 -1.93 0.00 0.00 57.85 56.44 3kwp n ARG 163 Cb 0.27 -1.95 0.42 0.00 -1.16 0.00 0.00 32.46 30.04 3kwp n ARG 163 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kwp n PRO 164 N 2.17 0.80 -3.25 5.56 -0.04 -1.26 -1.74 135.00 137.23 3kwp n PRO 164 Ca 0.17 -0.43 -0.23 0.00 -0.04 0.00 0.00 63.50 62.97 3kwp n PRO 164 Cb 0.20 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 3kwp n PRO 164 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3kwp s GLU 165 N -2.50 3.28 0.20 0.54 1.03 -1.26 -4.05 118.70 115.93 3kwp s GLU 165 Ca 0.25 -0.48 -0.32 0.00 0.03 0.00 0.00 54.97 54.45 3kwp s GLU 165 Cb 0.19 -2.65 -0.15 0.00 -0.80 0.00 0.00 34.13 30.73 3kwp s GLU 165 CO 0.51 -0.02 1.26 2.41 -1.33 0.00 0.00 175.26 178.10 3kwp n THR 166 N -1.87 0.89 -4.62 1.83 -1.04 -1.25 -3.25 114.28 104.96 3kwp n THR 166 Ca -0.02 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.05 61.45 3kwp n THR 166 Cb 0.57 -1.09 -0.12 0.00 -1.82 0.00 0.00 70.33 67.86 3kwp n THR 166 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kwp s LEU 167 N 0.45 2.76 -0.12 -4.42 1.02 -0.18 -1.29 118.68 116.91 3kwp s LEU 167 Ca 0.71 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.54 3kwp s LEU 167 Cb -0.77 -1.61 0.02 0.00 0.02 0.00 0.00 46.19 43.85 3kwp s LEU 167 CO 0.51 0.27 -0.13 -0.63 0.02 0.00 0.00 176.35 176.39 3kwp s ILE 168 N -0.93 1.40 0.31 -0.59 1.01 -0.53 -1.24 121.20 120.62 3kwp s ILE 168 Ca 0.15 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.33 3kwp s ILE 168 Cb -0.11 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 3kwp s ILE 168 CO 0.06 0.43 -0.11 -0.36 0.00 0.00 0.00 174.94 174.95 3kwp s PHE 169 N 1.24 2.25 0.15 3.97 0.08 0.33 -0.47 117.98 125.53 3kwp s PHE 169 Ca -0.02 -0.51 0.09 0.00 0.12 0.00 0.00 56.93 56.61 3kwp s PHE 169 Cb -0.14 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 3kwp s PHE 169 CO -0.05 0.54 -0.12 0.71 -0.10 0.00 0.00 175.22 176.20 3kwp s TYR 170 N -2.69 2.61 -0.07 0.36 2.02 0.15 -1.04 117.35 118.70 3kwp s TYR 170 Ca 0.31 -0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 3kwp s TYR 170 Cb 0.01 -1.32 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 3kwp s TYR 170 CO 0.15 0.47 0.27 -2.00 -1.57 0.00 0.00 175.55 172.86 3kwp s GLU 171 N -2.55 0.44 0.35 -0.62 2.56 -0.83 -4.09 118.70 113.97 3kwp s GLU 171 Ca 0.22 0.13 -0.25 0.00 0.00 0.00 0.00 54.97 55.07 3kwp s GLU 171 Cb -0.10 0.20 -0.10 0.00 2.00 0.00 0.00 34.13 36.14 3kwp s GLU 171 CO 0.13 -0.09 0.97 0.00 -0.56 0.00 0.00 175.26 175.71 3kwp s ALA 172 N -0.45 3.17 0.17 6.30 0.00 -1.26 -1.42 121.76 128.27 3kwp s ALA 172 Ca -0.06 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 3kwp s ALA 172 Cb -0.04 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.00 3kwp s ALA 172 CO 0.02 0.09 1.63 -1.00 0.00 0.00 0.00 175.76 176.49 3kwp h PRO 173 N 2.88 -0.13 0.00 0.00 0.13 -1.90 -1.06 132.00 131.92 3kwp h PRO 173 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kwp h PRO 173 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kwp h PRO 173 CO 0.64 -0.09 0.00 -2.39 -0.23 0.00 0.00 178.00 175.93 3kwp n HIS 174 N -5.39 0.20 0.50 1.56 1.44 -1.26 -2.02 115.22 110.25 3kwp n HIS 174 Ca 0.03 0.10 0.05 0.00 -2.01 0.00 0.00 57.72 55.89 3kwp n HIS 174 Cb 0.30 -0.66 -0.04 0.00 0.12 0.00 0.00 29.99 29.72 3kwp n HIS 174 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3kwp n ARG 175 N -1.70 2.85 -0.10 -1.40 1.74 -0.44 -4.71 116.66 112.89 3kwp n ARG 175 Ca 0.01 -0.27 -0.06 0.00 -0.77 0.00 0.00 57.85 56.75 3kwp n ARG 175 Cb 0.06 -1.05 0.02 0.00 -1.02 0.00 0.00 32.46 30.46 3kwp n ARG 175 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kwp h LEU 176 N 0.53 -0.05 0.07 0.55 5.85 -1.01 -2.41 115.31 118.84 3kwp h LEU 176 Ca 0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3kwp h LEU 176 Cb 0.31 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3kwp h LEU 176 CO 0.00 0.01 -0.23 0.50 -0.34 0.00 0.00 178.44 178.38 3kwp h LYS 177 N 0.16 -0.39 -0.49 1.25 3.64 -1.84 -0.98 116.57 117.92 3kwp h LYS 177 Ca 0.17 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3kwp h LYS 177 Cb 0.21 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3kwp h LYS 177 CO -0.25 -0.26 -0.07 -0.22 -2.27 0.00 0.00 179.45 176.38 3kwp h LYS 178 N -0.40 0.87 -0.21 1.90 1.63 -1.86 -2.32 116.57 116.18 3kwp h LYS 178 Ca 0.04 -0.28 -0.11 0.00 -0.85 0.00 0.00 60.65 59.44 3kwp h LYS 178 Cb 0.44 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 3kwp h LYS 178 CO -0.16 0.91 -0.35 1.15 -3.45 0.00 0.00 179.45 177.55 3kwp h THR 179 N 0.79 1.29 -0.29 1.00 2.02 -1.32 -1.56 112.91 114.85 3kwp h THR 179 Ca 0.14 -1.45 -0.11 0.00 0.77 0.00 0.00 66.41 65.76 3kwp h THR 179 Cb 0.57 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3kwp h THR 179 CO 0.04 0.45 -0.27 -0.07 0.37 0.00 0.00 175.52 176.04 3kwp h LEU 180 N 0.39 0.58 0.03 2.58 3.38 -0.86 -1.16 115.31 120.24 3kwp h LEU 180 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kwp h LEU 180 Cb 0.80 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3kwp h LEU 180 CO 0.06 0.83 -0.01 1.56 0.09 0.00 0.00 178.44 180.97 3kwp h GLN 181 N 0.50 -0.03 -0.60 1.13 4.20 -1.10 -1.12 115.11 118.09 3kwp h GLN 181 Ca 0.07 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.86 3kwp h GLN 181 Cb 0.72 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.44 3kwp h GLN 181 CO 0.06 0.37 0.25 -0.91 -0.67 0.00 0.00 178.83 177.92 3kwp h ASN 182 N -0.44 0.28 -0.72 1.46 2.35 -1.31 0.16 115.58 117.36 3kwp h ASN 182 Ca -0.00 0.07 0.12 0.00 -0.55 0.00 0.00 56.30 55.93 3kwp h ASN 182 Cb 0.42 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.73 3kwp h ASN 182 CO 0.01 0.17 0.30 -0.07 -1.65 0.00 0.00 177.43 176.19 3kwp h LEU 183 N 0.45 0.31 -0.57 1.61 3.38 -1.00 0.08 115.31 119.57 3kwp h LEU 183 Ca 0.30 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 3kwp h LEU 183 Cb 0.33 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kwp h LEU 183 CO -0.27 0.15 -0.71 0.00 0.09 0.00 0.00 178.44 177.69 3kwp h ALA 184 N 1.49 0.82 -0.33 1.53 0.00 -0.41 -0.26 119.26 122.10 3kwp h ALA 184 Ca 0.38 -0.65 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3kwp h ALA 184 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kwp h ALA 184 CO -0.35 0.89 -0.40 0.00 0.00 0.00 0.00 179.25 179.38 3kwp h ALA 185 N 1.28 0.66 0.00 0.00 0.00 0.25 -1.66 119.26 119.79 3kwp h ALA 185 Ca -0.01 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3kwp h ALA 185 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3kwp h ALA 185 CO 0.09 0.67 -1.70 0.41 0.00 0.00 0.00 179.25 178.72 3kwp n GLY 186 N 0.10 -1.14 0.07 0.00 0.00 -0.08 -4.38 105.19 99.76 3kwp n GLY 186 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 3kwp n GLY 186 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kwp n PHE 187 N -2.69 0.00 0.00 1.61 3.01 -0.12 -4.76 117.46 114.51 3kwp n PHE 187 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3kwp n PHE 187 Cb 0.81 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3kwp n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kwp n GLY 188 N 1.74 2.72 0.30 1.37 0.00 -0.63 -4.79 105.19 105.89 3kwp n GLY 188 Ca -0.22 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.30 3kwp n GLY 188 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kwp h ASP 189 N 0.00 0.45 0.95 1.61 3.32 -1.89 -2.70 116.42 118.16 3kwp h ASP 189 Ca 0.00 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3kwp h ASP 189 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kwp h ASP 189 CO 0.00 0.35 -0.40 1.05 -1.72 0.00 0.00 179.24 178.52 3kwp h GLU 190 N 0.52 0.00 -6.19 3.56 9.09 -1.91 -1.75 114.58 117.89 3kwp h GLU 190 Ca 0.14 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.83 3kwp h GLU 190 Cb -0.02 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.11 3kwp h GLU 190 CO -0.03 0.40 0.67 -2.13 0.05 0.00 0.00 179.01 177.98 3kwp n ARG 191 N -3.48 1.09 -2.19 1.06 3.00 -1.02 -4.50 116.66 110.63 3kwp n ARG 191 Ca 0.00 0.40 -0.36 0.00 -0.00 0.00 0.00 57.85 57.88 3kwp n ARG 191 Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.96 3kwp n ARG 191 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3kwp s PRO 192 N 2.05 3.51 0.24 -0.14 0.02 -1.26 -1.87 135.00 137.55 3kwp s PRO 192 Ca 0.92 1.77 -0.17 0.00 0.02 0.00 0.00 61.00 63.55 3kwp s PRO 192 Cb -1.03 -2.23 0.01 0.00 0.02 0.00 0.00 34.50 31.27 3kwp s PRO 192 CO 0.57 -0.76 0.56 0.00 -0.33 0.00 0.00 177.00 177.05 3kwp s ALA 193 N -1.59 -0.74 -0.13 -1.55 0.00 0.45 -0.38 121.76 117.81 3kwp s ALA 193 Ca 0.68 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 3kwp s ALA 193 Cb -0.28 0.94 0.04 0.00 0.00 0.00 0.00 23.12 23.81 3kwp s ALA 193 CO 0.33 -0.89 0.35 0.08 0.00 0.00 0.00 175.76 175.63 3kwp s VAL 194 N -3.95 -0.00 -0.08 0.00 1.01 0.61 -1.97 120.40 116.02 3kwp s VAL 194 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3kwp s VAL 194 Cb -0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3kwp s VAL 194 CO 0.05 0.00 -0.06 -0.76 0.00 0.00 0.00 175.10 174.34 3kwp s LEU 195 N 0.30 3.23 -0.21 3.92 1.43 -0.15 0.47 118.68 127.67 3kwp s LEU 195 Ca -0.01 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3kwp s LEU 195 Cb -0.03 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.52 3kwp s LEU 195 CO -0.01 0.35 -0.10 0.00 0.23 0.00 0.00 176.35 176.82 3kwp s ARG 197 N 1.35 2.89 -1.50 0.00 3.52 -0.51 -0.88 118.95 123.83 3kwp s ARG 197 Ca -0.03 -0.47 -0.06 0.00 -0.13 0.00 0.00 55.73 55.04 3kwp s ARG 197 Cb -0.17 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.52 3kwp s ARG 197 CO -0.08 0.68 0.68 0.39 -0.81 0.00 0.00 175.30 176.17 3kwp n GLU 198 N 2.05 -5.11 -1.67 5.12 -0.58 -1.26 -0.94 120.64 118.27 3kwp n GLU 198 Ca -0.18 0.83 -0.51 0.00 -0.42 0.00 0.00 57.16 56.88 3kwp n GLU 198 Cb 0.53 -5.70 -0.05 0.00 -0.57 0.00 0.00 31.44 25.65 3kwp n GLU 198 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3kwp n LEU 199 N -4.14 2.74 0.00 -4.62 7.94 -1.26 -1.21 117.00 116.45 3kwp n LEU 199 Ca -0.08 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 3kwp n LEU 199 Cb 0.60 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3kwp n LEU 199 CO 0.51 -0.41 0.00 0.35 -1.11 0.00 0.00 177.39 176.74 3kwp n THR 200 N 4.02 0.00 -3.49 1.96 -2.24 -1.26 -4.73 114.28 108.54 3kwp n THR 200 Ca 0.21 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.79 3kwp n THR 200 Cb 0.23 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 3kwp n THR 200 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kwp s LYS 201 N -0.05 2.60 0.27 -0.78 1.02 -0.35 -4.35 119.74 118.09 3kwp s LYS 201 Ca 0.00 -1.47 -0.03 0.00 0.02 0.00 0.00 55.97 54.49 3kwp s LYS 201 Cb 0.00 -2.45 0.55 0.00 -0.52 0.00 0.00 37.83 35.41 3kwp s LYS 201 CO 0.00 -0.18 1.41 -2.13 -0.92 0.00 0.00 175.35 173.53 3kwp n ARG 202 N -1.58 -0.08 -1.37 1.68 0.63 -1.26 -1.27 116.66 113.41 3kwp n ARG 202 Ca 0.04 1.38 -0.23 0.00 -0.92 0.00 0.00 57.85 58.12 3kwp n ARG 202 Cb 0.61 -2.13 0.11 0.00 0.45 0.00 0.00 32.46 31.50 3kwp n ARG 202 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3kwp n TYR 203 N -5.40 2.54 -1.61 -0.14 4.01 -1.26 -5.00 117.16 110.29 3kwp n TYR 203 Ca 0.18 -2.30 -0.46 0.00 -0.16 0.00 0.00 57.90 55.15 3kwp n TYR 203 Cb 0.57 -0.85 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 3kwp n TYR 203 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3kwp n GLU 204 N -0.95 1.48 -3.66 -0.72 2.13 -0.40 -4.72 120.64 113.80 3kwp n GLU 204 Ca 0.50 0.53 -0.10 0.00 0.66 0.00 0.00 57.16 58.75 3kwp n GLU 204 Cb 0.97 -2.02 -0.08 0.00 0.27 0.00 0.00 31.44 30.58 3kwp n GLU 204 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3kwp s GLU 205 N -0.87 0.61 -0.12 5.31 2.12 -0.11 -5.00 118.70 120.63 3kwp s GLU 205 Ca 0.66 0.99 -0.03 0.00 0.36 0.00 0.00 54.97 56.95 3kwp s GLU 205 Cb -0.74 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 3kwp s GLU 205 CO 0.55 -0.13 -0.00 -0.06 -0.54 0.00 0.00 175.26 175.07 3kwp s PHE 206 N 1.22 3.13 -0.17 5.30 0.40 -1.26 -1.42 117.98 125.17 3kwp s PHE 206 Ca -0.07 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 3kwp s PHE 206 Cb -0.06 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.61 3kwp s PHE 206 CO -0.12 0.26 -0.20 -0.51 0.70 0.00 0.00 175.22 175.35 3kwp s LEU 207 N -0.30 2.09 -0.07 -0.37 1.02 -0.50 -4.97 118.68 115.58 3kwp s LEU 207 Ca 0.06 -0.63 0.04 0.00 0.02 0.00 0.00 54.13 53.62 3kwp s LEU 207 Cb -0.12 -1.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 3kwp s LEU 207 CO 0.02 0.00 -0.20 -0.13 0.02 0.00 0.00 176.35 176.07 3kwp s ARG 208 N 1.26 2.68 0.00 1.70 0.52 -1.26 -0.97 118.95 122.88 3kwp s ARG 208 Ca 0.04 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3kwp s ARG 208 Cb -0.13 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.02 3kwp s ARG 208 CO -0.12 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3kwp n GLY 209 N 2.85 -1.05 3.84 -3.53 0.00 -0.83 -5.02 105.19 101.44 3kwp n GLY 209 Ca -0.17 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 3kwp n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwp s SER 210 N -4.00 4.47 0.03 1.61 1.04 -1.26 -0.41 113.70 115.17 3kwp s SER 210 Ca 0.00 1.07 -0.22 0.00 0.48 0.00 0.00 55.95 57.28 3kwp s SER 210 Cb 0.00 -1.73 -0.16 0.00 0.10 0.00 0.00 66.02 64.23 3kwp s SER 210 CO 0.00 -1.96 1.37 -0.07 0.98 0.00 0.00 173.24 173.56 3kwp h LEU 211 N -1.09 0.20 -0.29 2.42 3.38 -1.06 -0.88 115.31 118.01 3kwp h LEU 211 Ca -0.47 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.15 3kwp h LEU 211 Cb 1.29 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 3kwp h LEU 211 CO 0.62 0.58 -0.29 0.00 0.09 0.00 0.00 178.44 179.45 3kwp h ALA 212 N 0.63 -0.18 -1.01 1.53 0.00 -1.63 0.19 119.26 118.79 3kwp h ALA 212 Ca 0.02 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.19 3kwp h ALA 212 Cb 0.50 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 3kwp h ALA 212 CO 0.01 -0.71 0.61 0.93 0.00 0.00 0.00 179.25 180.10 3kwp h GLU 213 N -0.27 0.77 0.00 0.00 5.08 -1.76 -1.88 114.58 116.52 3kwp h GLU 213 Ca 0.15 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.23 3kwp h GLU 213 Cb 0.51 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3kwp h GLU 213 CO -0.44 0.51 -1.31 -0.07 -1.00 0.00 0.00 179.01 176.69 3kwp h LEU 214 N 0.79 0.00 -0.19 1.33 3.38 -0.11 -2.67 115.31 117.85 3kwp h LEU 214 Ca 0.57 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.55 3kwp h LEU 214 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3kwp h LEU 214 CO -0.37 0.92 0.11 0.00 0.09 0.00 0.00 178.44 179.19 3kwp h ALA 215 N 1.08 0.23 -0.46 1.53 0.00 -0.23 -1.61 119.26 119.80 3kwp h ALA 215 Ca -0.14 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3kwp h ALA 215 Cb 1.83 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 3kwp h ALA 215 CO 0.09 -0.30 0.02 -0.91 0.00 0.00 0.00 179.25 178.15 3kwp h ASN 216 N 0.23 -0.15 -0.58 0.00 2.35 -1.39 -2.36 115.58 113.68 3kwp h ASN 216 Ca 0.07 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3kwp h ASN 216 Cb -0.01 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3kwp h ASN 216 CO -0.03 -0.04 0.24 -0.25 -1.65 0.00 0.00 177.43 175.70 3kwp h TRP 217 N 0.13 0.90 -0.30 1.19 7.01 -1.23 -2.69 115.95 120.97 3kwp h TRP 217 Ca 0.23 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3kwp h TRP 217 Cb 0.33 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3kwp h TRP 217 CO -0.28 0.70 0.12 0.00 -2.79 0.00 0.00 178.44 176.19 3kwp h ALA 218 N 1.38 1.65 0.00 2.65 0.00 -0.76 -1.88 119.26 122.30 3kwp h ALA 218 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kwp h ALA 218 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kwp h ALA 218 CO -0.02 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3kwp h ALA 219 N 1.71 1.00 0.00 0.00 0.00 -1.26 -3.28 119.26 117.43 3kwp h ALA 219 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kwp h ALA 219 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kwp h ALA 219 CO -0.01 0.00 -1.57 0.25 0.00 0.00 0.00 179.25 177.92 3kwp n THR 220 N -2.68 0.01 -4.34 0.00 -2.24 -0.73 -5.00 114.28 99.29 3kwp n THR 220 Ca 0.03 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 3kwp n THR 220 Cb 0.35 0.40 -0.12 0.00 -2.10 0.00 0.00 70.33 68.85 3kwp n THR 220 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kwp s ASP 221 N -3.91 3.66 -0.71 3.42 2.15 -1.04 -5.06 116.67 115.18 3kwp s ASP 221 Ca -0.01 -0.65 -0.36 0.00 0.43 0.00 0.00 52.55 51.95 3kwp s ASP 221 Cb 0.15 -0.41 -0.19 0.00 -0.30 0.00 0.00 42.92 42.17 3kwp s ASP 221 CO 0.89 0.17 2.41 0.41 -0.17 0.00 0.00 175.17 178.88 3kwp n THR 222 N 0.77 0.01 -3.64 1.71 -1.04 -1.26 -4.94 114.28 105.90 3kwp n THR 222 Ca -0.16 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 3kwp n THR 222 Cb 0.53 -0.75 -0.11 0.00 -1.82 0.00 0.00 70.33 68.18 3kwp n THR 222 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kwp s VAL 223 N 7.83 4.68 0.11 12.58 1.01 -1.26 -5.06 120.40 140.28 3kwp s VAL 223 Ca 1.25 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.86 3kwp s VAL 223 Cb -1.25 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 3kwp s VAL 223 CO 0.54 0.04 -0.12 -0.13 0.00 0.00 0.00 175.10 175.43 3kwp s ARG 224 N 1.62 0.94 0.24 2.72 1.81 -1.26 -4.73 118.95 120.29 3kwp s ARG 224 Ca 0.05 -1.19 0.00 0.00 -1.72 0.00 0.00 55.73 52.86 3kwp s ARG 224 Cb -0.17 -0.74 0.00 0.00 -0.45 0.00 0.00 34.95 33.59 3kwp s ARG 224 CO 0.07 0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.23 3kwp n GLY 225 N 0.57 -2.74 3.78 -3.53 0.00 -1.26 -4.85 105.19 97.16 3kwp n GLY 225 Ca -0.16 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3kwp n GLY 225 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kwp s GLU 226 N -3.25 4.32 -0.01 1.61 2.12 -1.26 -3.81 118.70 118.41 3kwp s GLU 226 Ca 0.00 1.49 0.03 0.00 0.36 0.00 0.00 54.97 56.85 3kwp s GLU 226 Cb 0.00 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 3kwp s GLU 226 CO 0.00 0.00 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.57 3kwp s PHE 227 N -1.61 2.84 -0.01 5.30 0.40 -0.51 -4.06 117.98 120.33 3kwp s PHE 227 Ca 0.55 -0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.61 3kwp s PHE 227 Cb -0.22 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 3kwp s PHE 227 CO 0.28 0.33 0.56 0.08 0.70 0.00 0.00 175.22 177.17 3kwp s VAL 228 N -0.93 4.94 -0.24 -0.44 1.01 -0.06 -1.96 120.40 122.73 3kwp s VAL 228 Ca 0.15 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.32 3kwp s VAL 228 Cb -0.11 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3kwp s VAL 228 CO 0.05 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 174.80 3kwp s VAL 229 N -0.26 1.86 -0.07 2.92 1.01 -0.21 -0.64 120.40 125.01 3kwp s VAL 229 Ca 0.29 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3kwp s VAL 229 Cb -0.18 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3kwp s VAL 229 CO 0.16 0.01 0.09 -0.76 0.00 0.00 0.00 175.10 174.60 3kwp s LEU 230 N 1.26 4.03 -0.05 3.92 1.02 0.18 -0.51 118.68 128.53 3kwp s LEU 230 Ca -0.06 0.28 -0.01 0.00 0.02 0.00 0.00 54.13 54.36 3kwp s LEU 230 Cb -0.19 -2.10 0.03 0.00 0.02 0.00 0.00 46.19 43.95 3kwp s LEU 230 CO -0.06 0.35 0.03 -0.69 0.02 0.00 0.00 176.35 175.99 3kwp s VAL 231 N -1.06 0.10 0.74 -1.59 1.01 -0.38 -0.29 120.40 118.94 3kwp s VAL 231 Ca 0.18 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 3kwp s VAL 231 Cb -0.12 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.02 3kwp s VAL 231 CO 0.08 0.19 1.15 -0.83 0.00 0.00 0.00 175.10 175.69 3kwp s GLY 232 N 1.79 2.11 0.81 4.51 0.00 0.48 -1.01 107.32 116.02 3kwp s GLY 232 Ca 0.01 0.65 -0.12 0.00 0.00 0.00 0.00 44.72 45.27 3kwp s GLY 232 CO -0.03 1.04 1.11 -0.32 0.00 0.00 0.00 173.10 174.90 3kwp s GLY 233 N -2.47 1.61 0.09 0.20 0.00 -1.20 -4.76 107.32 100.78 3kwp s GLY 233 Ca 0.69 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.76 3kwp s GLY 233 CO 0.47 0.11 1.72 0.21 0.00 0.00 0.00 173.10 175.62 3kwp s ASN 234 N -4.06 6.53 0.00 1.64 3.84 -0.71 -4.88 114.94 117.30 3kwp s ASN 234 Ca 0.61 2.60 0.31 0.00 0.21 0.00 0.00 52.86 56.59 3kwp s ASN 234 Cb -0.14 -2.56 1.74 0.00 -0.55 0.00 0.00 41.25 39.73 3kwp s ASN 234 CO 0.53 -0.93 2.14 -0.81 -2.79 0.00 0.00 177.10 175.24 3kwp n PRO 235 N 5.61 0.87 -2.85 0.43 -0.04 -1.26 -4.35 135.00 133.41 3kwp n PRO 235 Ca 0.17 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 3kwp n PRO 235 Cb 0.40 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 3kwp n PRO 235 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kwp n ALA 236 N -1.02 -0.95 -0.60 0.55 0.00 -1.26 -5.19 120.51 112.05 3kwp n ALA 236 Ca 0.21 -1.53 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 3kwp n ALA 236 Cb 0.16 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.50 3kwp n ALA 236 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kwp n PRO 237 N 2.38 -1.87 -1.00 0.00 -0.02 -1.26 -5.12 135.00 128.12 3kwp n PRO 237 Ca 0.16 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 3kwp n PRO 237 Cb 0.57 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3kwp n PRO 237 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11