#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khn n LEU 7 N 0.00 0.00 0.00 6.55 7.99 -1.26 -4.84 117.00 125.44 1khn n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1khn n LEU 7 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1khn n LEU 7 CO 0.00 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.26 1khn n GLU 8 N 0.00 0.00 -3.76 3.23 4.71 -1.26 -4.80 120.64 118.76 1khn n GLU 8 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 1khn n GLU 8 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.27 1khn n GLU 8 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1khn s ASN 9 N 0.00 3.58 -0.25 1.62 2.47 -1.26 -4.95 114.94 116.15 1khn s ASN 9 Ca 0.00 -1.27 0.10 0.00 0.42 0.00 0.00 52.86 52.11 1khn s ASN 9 Cb 0.00 -0.80 0.45 0.00 -1.45 0.00 0.00 41.25 39.46 1khn s ASN 9 CO 0.00 -0.35 1.31 0.54 -3.72 0.00 0.00 177.10 174.88 1khn n ARG 10 N 4.91 1.79 -3.34 0.43 5.12 -1.26 -4.80 116.66 119.51 1khn n ARG 10 Ca -0.06 -3.32 -0.30 0.00 -1.93 0.00 0.00 57.85 52.24 1khn n ARG 10 Cb 0.44 -1.73 -0.04 0.00 -1.16 0.00 0.00 32.46 29.97 1khn n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1khn s ALA 11 N -3.27 3.59 0.17 7.54 0.00 -1.26 -4.71 121.76 123.82 1khn s ALA 11 Ca 0.41 -0.44 -0.33 0.00 0.00 0.00 0.00 51.96 51.59 1khn s ALA 11 Cb 0.39 -2.36 -0.15 0.00 0.00 0.00 0.00 23.12 21.00 1khn s ALA 11 CO -0.04 0.32 1.42 0.00 0.00 0.00 0.00 175.76 177.46 1khn n ALA 12 N -0.67 0.52 0.30 0.00 0.00 -0.06 -4.40 120.51 116.19 1khn n ALA 12 Ca -0.01 0.45 0.16 0.00 0.00 0.00 0.00 53.44 54.05 1khn n ALA 12 Cb 0.53 -2.23 0.92 0.00 0.00 0.00 0.00 19.45 18.68 1khn n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1khn h GLN 13 N 4.75 0.00 0.00 0.00 1.08 -0.21 -3.47 115.11 117.25 1khn h GLN 13 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1khn h GLN 13 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1khn h GLN 13 CO 0.80 0.03 0.00 0.41 -0.95 0.00 0.00 178.83 179.12 1khn n GLY 14 N -1.04 -0.36 3.59 3.46 0.00 -0.40 -5.03 105.19 105.41 1khn n GLY 14 Ca -0.03 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 1khn n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1khn s ASN 15 N 2.00 6.42 0.43 1.61 3.04 -1.25 -4.85 114.94 122.34 1khn s ASN 15 Ca 0.00 0.31 0.29 0.00 0.04 0.00 0.00 52.86 53.50 1khn s ASN 15 Cb 0.00 -2.30 1.14 0.00 -1.54 0.00 0.00 41.25 38.55 1khn s ASN 15 CO 0.00 -0.43 1.86 0.16 -3.04 0.00 0.00 177.10 175.64 1khn h ILE 16 N 5.53 0.00 0.00 -5.21 3.07 -1.98 -2.70 117.51 116.22 1khn h ILE 16 Ca -0.28 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.69 1khn h ILE 16 Cb 1.13 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 1khn h ILE 16 CO 0.77 0.00 -0.16 0.71 -1.05 0.00 0.00 178.15 178.42 1khn h THR 17 N 0.00 0.00 -2.84 0.16 1.35 -1.92 -3.41 112.91 106.25 1khn h THR 17 Ca 0.00 -0.82 -0.60 0.00 -0.55 0.00 0.00 66.41 64.43 1khn h THR 17 Cb 0.50 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 1khn h THR 17 CO 0.00 0.00 -0.50 0.00 -0.25 0.00 0.00 175.52 174.77 1khn s ALA 18 N -3.19 3.99 0.09 6.62 0.00 -1.02 -5.05 121.76 123.19 1khn s ALA 18 Ca 0.07 -0.88 -0.35 0.00 0.00 0.00 0.00 51.96 50.80 1khn s ALA 18 Cb 0.08 -1.81 -0.14 0.00 0.00 0.00 0.00 23.12 21.25 1khn s ALA 18 CO 0.67 0.77 1.60 -2.30 0.00 0.00 0.00 175.76 176.49 1khn n PRO 19 N 0.13 1.94 -0.95 0.00 -0.02 -1.26 -1.61 135.00 133.21 1khn n PRO 19 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1khn n PRO 19 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1khn n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1khn n GLY 20 N 3.46 0.45 0.11 -1.23 0.00 -1.26 -4.86 105.19 101.86 1khn n GLY 20 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1khn n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1khn h GLY 21 N 0.00 0.00 0.97 -0.02 0.00 -1.30 -3.27 103.07 99.46 1khn h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1khn h GLY 21 CO 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.80 1khn n ALA 22 N -2.06 3.12 -1.61 3.60 0.00 -1.25 -1.28 120.51 121.03 1khn n ALA 22 Ca 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 1khn n ALA 22 Cb 0.51 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1khn n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1khn n ARG 23 N -2.01 1.34 -0.01 0.00 1.74 -1.23 -4.49 116.66 112.00 1khn n ARG 23 Ca 0.03 0.48 0.06 0.00 -0.77 0.00 0.00 57.85 57.65 1khn n ARG 23 Cb 0.43 -2.07 -0.09 0.00 -1.02 0.00 0.00 32.46 29.71 1khn n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1khn n ARG 24 N 0.05 0.39 -3.06 5.56 1.74 -1.26 -0.07 116.66 120.00 1khn n ARG 24 Ca 0.10 -0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 1khn n ARG 24 Cb 0.40 -1.28 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 1khn n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1khn s LEU 25 N -3.84 4.26 -0.05 0.55 1.43 -1.26 -4.44 118.68 115.34 1khn s LEU 25 Ca -0.04 1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.95 1khn s LEU 25 Cb 0.07 -3.03 -0.31 0.00 0.03 0.00 0.00 46.19 42.95 1khn s LEU 25 CO 0.49 -0.17 0.83 0.74 0.23 0.00 0.00 176.35 178.47 1khn h THR 26 N 4.89 1.35 0.00 5.49 2.02 -1.93 -3.50 112.91 121.24 1khn h THR 26 Ca -0.38 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.27 1khn h THR 26 Cb 1.18 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.65 1khn h THR 26 CO 0.77 0.73 0.00 0.61 0.37 0.00 0.00 175.52 178.00 1khn n GLY 27 N 1.70 4.45 3.70 2.16 0.00 -1.26 -5.14 105.19 110.80 1khn n GLY 27 Ca -0.17 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1khn n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1khn s ASP 28 N 1.57 6.67 0.16 1.61 2.15 -1.26 -4.98 116.67 122.58 1khn s ASP 28 Ca 0.00 0.80 0.10 0.00 0.43 0.00 0.00 52.55 53.88 1khn s ASP 28 Cb 0.00 -2.30 -0.13 0.00 -0.30 0.00 0.00 42.92 40.19 1khn s ASP 28 CO 0.00 -0.08 1.29 1.56 -0.17 0.00 0.00 175.17 177.76 1khn h GLN 29 N 7.01 0.00 -0.57 4.34 4.20 -2.00 -3.41 115.11 124.67 1khn h GLN 29 Ca -0.38 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.38 1khn h GLN 29 Cb 1.17 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.88 1khn h GLN 29 CO 0.75 0.80 -0.33 2.41 -0.67 0.00 0.00 178.83 181.79 1khn n THR 30 N -3.28 -0.39 -0.05 -0.54 -1.04 -1.26 0.70 114.28 108.42 1khn n THR 30 Ca -0.00 1.38 -0.14 0.00 -2.04 0.00 0.00 64.05 63.25 1khn n THR 30 Cb 0.88 -1.71 -0.07 0.00 -1.82 0.00 0.00 70.33 67.61 1khn n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1khn h ALA 31 N 0.30 0.23 -0.90 2.41 0.00 -1.98 0.62 119.26 119.95 1khn h ALA 31 Ca 0.10 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1khn h ALA 31 Cb 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1khn h ALA 31 CO -0.54 0.19 0.58 0.00 0.00 0.00 0.00 179.25 179.49 1khn h ALA 32 N 0.58 1.14 -0.46 0.00 0.00 -1.37 0.16 119.26 119.31 1khn h ALA 32 Ca 0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1khn h ALA 32 Cb 0.80 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1khn h ALA 32 CO 0.05 0.55 -0.19 -0.07 0.00 0.00 0.00 179.25 179.60 1khn h LEU 33 N 1.22 0.97 -1.37 0.00 3.38 0.30 -2.73 115.31 117.08 1khn h LEU 33 Ca 0.33 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1khn h LEU 33 Cb -0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1khn h LEU 33 CO -0.07 1.14 0.02 -0.09 0.09 0.00 0.00 178.44 179.54 1khn h ARG 34 N 0.79 0.44 -0.75 1.13 2.43 0.23 -0.93 114.38 117.71 1khn h ARG 34 Ca 0.11 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1khn h ARG 34 Cb 0.76 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1khn h ARG 34 CO 0.06 0.45 0.00 0.09 -1.51 0.00 0.00 179.97 179.06 1khn n ASN 35 N -4.33 2.89 -0.00 -3.80 4.13 0.47 -3.09 115.26 111.53 1khn n ASN 35 Ca 0.01 -2.35 0.00 0.00 1.68 0.00 0.00 54.58 53.92 1khn n ASN 35 Cb 0.21 -0.53 -0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1khn n ASN 35 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1khn n SER 36 N 0.29 2.73 -4.59 6.41 7.64 -0.37 -4.98 113.62 120.76 1khn n SER 36 Ca 0.12 -0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 1khn n SER 36 Cb 0.61 1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.79 1khn n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1khn s LEU 37 N -2.56 3.50 -0.01 -3.43 1.43 -1.08 -4.76 118.68 111.77 1khn s LEU 37 Ca -0.00 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1khn s LEU 37 Cb 0.00 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1khn s LEU 37 CO 0.01 -1.44 -0.09 -0.55 0.23 0.00 0.00 176.35 174.50 1khn s SER 38 N 3.01 1.11 -0.00 2.29 0.15 -1.26 -5.01 113.70 113.99 1khn s SER 38 Ca 0.46 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.99 1khn s SER 38 Cb -0.08 -0.15 0.15 0.00 -1.71 0.00 0.00 66.02 64.23 1khn s SER 38 CO 0.28 0.11 1.12 -0.90 1.20 0.00 0.00 173.24 175.04 1khn n ASP 39 N 2.91 2.44 -4.77 5.45 5.75 -1.26 0.29 116.55 127.36 1khn n ASP 39 Ca -0.14 -2.02 -0.35 0.00 -0.01 0.00 0.00 54.79 52.27 1khn n ASP 39 Cb 0.56 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1khn n ASP 39 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1khn s LYS 40 N -1.03 3.37 0.29 0.11 -2.85 -1.26 -4.80 119.74 113.57 1khn s LYS 40 Ca 0.11 1.63 -0.29 0.00 -1.00 0.00 0.00 55.97 56.41 1khn s LYS 40 Cb 0.06 -2.02 -0.11 0.00 -2.06 0.00 0.00 37.83 33.70 1khn s LYS 40 CO 0.07 -0.84 1.47 -1.25 0.10 0.00 0.00 175.35 174.90 1khn s PRO 41 N -3.26 4.21 0.39 1.78 0.04 -1.26 -4.20 135.00 132.69 1khn s PRO 41 Ca 0.72 2.41 -0.24 0.00 0.04 0.00 0.00 61.00 63.93 1khn s PRO 41 Cb -0.24 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 1khn s PRO 41 CO 0.27 -0.47 1.04 0.00 0.04 0.00 0.00 177.00 177.89 1khn s ALA 42 N -0.36 3.12 -0.12 8.56 0.00 -0.50 -4.93 121.76 127.53 1khn s ALA 42 Ca 0.58 0.70 0.15 0.00 0.00 0.00 0.00 51.96 53.38 1khn s ALA 42 Cb -0.44 -3.27 -0.24 0.00 0.00 0.00 0.00 23.12 19.17 1khn s ALA 42 CO 0.49 -0.18 0.38 1.17 0.00 0.00 0.00 175.76 177.62 1khn n LYS 43 N 0.05 0.66 -4.34 0.00 4.81 -0.31 -4.37 118.16 114.66 1khn n LYS 43 Ca 0.04 0.16 -0.17 0.00 -0.87 0.00 0.00 58.31 57.46 1khn n LYS 43 Cb 0.49 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 1khn n LYS 43 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1khn s ASN 44 N -5.83 1.53 -0.13 3.14 0.01 -1.24 -3.58 114.94 108.84 1khn s ASN 44 Ca -0.08 -1.35 -0.10 0.00 -0.71 0.00 0.00 52.86 50.63 1khn s ASN 44 Cb 0.07 0.09 0.04 0.00 0.41 0.00 0.00 41.25 41.86 1khn s ASN 44 CO 0.82 -0.66 0.34 -0.63 -1.51 0.00 0.00 177.10 175.46 1khn s ILE 45 N -3.60 -0.01 -0.10 0.60 1.01 -0.89 -2.70 121.20 115.51 1khn s ILE 45 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1khn s ILE 45 Cb 0.08 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1khn s ILE 45 CO 0.13 0.02 -0.09 -0.63 0.00 0.00 0.00 174.94 174.37 1khn s ILE 46 N 0.65 1.03 -0.24 2.92 1.01 -0.13 -1.43 121.20 125.00 1khn s ILE 46 Ca -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1khn s ILE 46 Cb -0.05 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.42 1khn s ILE 46 CO -0.04 0.36 -0.05 -0.22 0.00 0.00 0.00 174.94 174.99 1khn s LEU 47 N 1.38 3.15 -0.20 2.97 2.96 -0.17 -1.51 118.68 127.26 1khn s LEU 47 Ca -0.01 -0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 53.08 1khn s LEU 47 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1khn s LEU 47 CO -0.05 -0.11 0.08 -0.76 -1.32 0.00 0.00 176.35 174.20 1khn s LEU 48 N 1.38 3.78 -0.06 -0.68 2.01 0.10 0.35 118.68 125.55 1khn s LEU 48 Ca 0.02 0.03 0.06 0.00 0.01 0.00 0.00 54.13 54.24 1khn s LEU 48 Cb -0.16 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.06 1khn s LEU 48 CO -0.04 0.12 -0.24 -0.63 1.01 0.00 0.00 176.35 176.57 1khn s ILE 49 N 0.71 1.96 -0.31 -0.59 -1.09 0.83 -1.93 121.20 120.78 1khn s ILE 49 Ca 0.04 -1.01 -0.06 0.00 -2.23 0.00 0.00 60.65 57.39 1khn s ILE 49 Cb -0.13 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.10 1khn s ILE 49 CO 0.02 0.55 0.08 -0.83 -1.23 0.00 0.00 174.94 173.52 1khn s GLY 50 N -0.07 1.80 -0.38 6.18 0.00 0.15 -0.20 107.32 114.81 1khn s GLY 50 Ca -0.06 -1.56 -0.28 0.00 0.00 0.00 0.00 44.72 42.82 1khn s GLY 50 CO 0.04 0.69 1.67 -0.35 0.00 0.00 0.00 173.10 175.15 1khn s ASP 51 N 1.45 6.00 0.00 1.64 -1.08 -0.49 -2.31 116.67 121.88 1khn s ASP 51 Ca 0.01 1.08 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1khn s ASP 51 Cb -0.18 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1khn s ASP 51 CO 0.02 -1.66 0.00 0.61 0.52 0.00 0.00 175.17 174.66 1khn n GLY 52 N 5.33 0.63 3.33 2.66 0.00 -1.25 -0.14 105.19 115.76 1khn n GLY 52 Ca 0.20 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1khn n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1khn n MET 53 N -2.66 3.41 0.00 1.61 1.56 -0.98 -4.07 117.12 115.99 1khn n MET 53 Ca 0.00 -3.73 0.00 0.00 -0.27 0.00 0.00 57.70 53.70 1khn n MET 53 Cb 0.00 -3.05 0.00 0.00 2.15 0.00 0.00 33.22 32.32 1khn n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1khn n GLY 54 N 3.89 -1.26 0.19 -5.12 0.00 -1.26 -4.40 105.19 97.23 1khn n GLY 54 Ca 0.39 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 1khn n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1khn h ASP 55 N -0.13 0.50 0.33 1.61 3.45 -1.94 -2.66 116.42 117.59 1khn h ASP 55 Ca 0.00 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.16 1khn h ASP 55 Cb 0.00 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.62 1khn h ASP 55 CO 0.00 1.01 0.00 -0.24 -1.57 0.00 0.00 179.24 178.44 1khn n SER 56 N -3.89 0.00 -0.12 6.45 2.88 -1.26 -1.76 113.62 115.91 1khn n SER 56 Ca -0.04 0.26 -0.16 0.00 -1.33 0.00 0.00 58.87 57.61 1khn n SER 56 Cb 0.65 -0.37 -0.13 0.00 -0.75 0.00 0.00 64.21 63.61 1khn n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1khn n GLU 57 N -1.37 0.66 -0.25 -1.46 4.71 -1.03 -3.72 120.64 118.18 1khn n GLU 57 Ca 0.05 0.11 -0.07 0.00 -0.01 0.00 0.00 57.16 57.24 1khn n GLU 57 Cb 0.12 -1.52 0.06 0.00 -1.01 0.00 0.00 31.44 29.10 1khn n GLU 57 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1khn h ILE 58 N 0.00 1.26 0.58 -3.67 2.04 -1.17 -2.71 117.51 113.85 1khn h ILE 58 Ca -0.57 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 1khn h ILE 58 Cb 1.99 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1khn h ILE 58 CO -0.06 0.37 -0.28 0.74 0.00 0.00 0.00 178.15 178.92 1khn h THR 59 N 1.08 0.00 -0.81 -0.27 2.02 -1.54 -2.06 112.91 111.32 1khn h THR 59 Ca 0.23 -0.15 0.24 0.00 0.77 0.00 0.00 66.41 67.50 1khn h THR 59 Cb 0.35 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1khn h THR 59 CO -0.00 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.51 1khn h ALA 60 N -1.49 2.73 0.00 6.16 0.00 -1.64 0.89 119.26 125.90 1khn h ALA 60 Ca -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1khn h ALA 60 Cb 0.60 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1khn h ALA 60 CO 0.13 -1.04 -0.67 0.00 0.00 0.00 0.00 179.25 177.67 1khn h ALA 61 N 1.52 0.71 0.00 0.00 0.00 -1.40 -2.94 119.26 117.15 1khn h ALA 61 Ca 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1khn h ALA 61 Cb 1.63 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1khn h ALA 61 CO -0.00 0.30 -0.10 -0.09 0.00 0.00 0.00 179.25 179.36 1khn h ARG 62 N 0.00 0.00 -0.66 0.00 2.43 -0.20 -2.24 114.38 113.70 1khn h ARG 62 Ca -0.03 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1khn h ARG 62 Cb 1.19 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.63 1khn h ARG 62 CO 0.02 0.88 -0.01 -0.91 -1.51 0.00 0.00 179.97 178.45 1khn h ASN 63 N -1.00 -0.31 0.04 -3.80 4.21 -1.05 0.54 115.58 114.21 1khn h ASN 63 Ca -0.03 0.17 -0.00 0.00 1.21 0.00 0.00 56.30 57.65 1khn h ASN 63 Cb 0.91 0.30 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1khn h ASN 63 CO -0.02 -0.14 -0.02 0.22 -1.29 0.00 0.00 177.43 176.19 1khn h TYR 64 N 0.11 -0.05 0.04 1.19 5.03 -1.64 -1.20 116.97 120.44 1khn h TYR 64 Ca 0.35 -0.00 -0.24 0.00 2.58 0.00 0.00 58.73 61.42 1khn h TYR 64 Cb 0.58 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 1khn h TYR 64 CO -0.39 0.60 -1.17 0.00 -1.32 0.00 0.00 178.16 175.88 1khn h ALA 65 N 0.05 0.34 0.00 1.82 0.00 -1.27 -2.68 119.26 117.52 1khn h ALA 65 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1khn h ALA 65 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1khn h ALA 65 CO 0.01 1.22 0.00 0.39 0.00 0.00 0.00 179.25 180.87 1khn n GLU 66 N -3.36 0.02 -0.13 0.00 -0.58 0.12 -4.87 120.64 111.84 1khn n GLU 66 Ca -0.05 -0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.29 1khn n GLU 66 Cb 0.98 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 1khn n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1khn n GLY 67 N 0.12 -2.92 0.30 0.62 0.00 0.15 -3.07 105.19 100.38 1khn n GLY 67 Ca 0.00 -1.25 0.08 0.00 0.00 0.00 0.00 46.02 44.86 1khn n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn h ALA 68 N 0.03 1.54 -0.24 4.61 0.00 -1.76 0.74 119.26 124.18 1khn h ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1khn h ALA 68 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1khn h ALA 68 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1khn n GLY 69 N -1.32 1.90 0.00 0.00 0.00 -1.26 -4.93 105.19 99.58 1khn n GLY 69 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1khn n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khn n GLY 70 N 0.47 -1.50 3.47 -0.02 0.00 0.26 -0.88 105.19 106.99 1khn n GLY 70 Ca 0.09 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.59 1khn n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1khn s PHE 71 N -0.30 -0.52 -0.03 1.61 5.36 -1.26 -4.50 117.98 118.34 1khn s PHE 71 Ca 0.00 0.94 -0.30 0.00 -0.96 0.00 0.00 56.93 56.61 1khn s PHE 71 Cb 0.00 0.31 -0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1khn s PHE 71 CO 0.00 -0.26 1.63 -0.06 -1.46 0.00 0.00 175.22 175.08 1khn s PHE 72 N 1.95 2.11 0.60 10.12 0.08 -1.26 -4.89 117.98 126.69 1khn s PHE 72 Ca -0.05 0.26 0.29 0.00 0.12 0.00 0.00 56.93 57.56 1khn s PHE 72 Cb -0.04 -3.90 1.67 0.00 -0.57 0.00 0.00 43.02 40.17 1khn s PHE 72 CO -0.16 -3.74 2.08 -0.22 -0.10 0.00 0.00 175.22 173.08 1khn h LYS 73 N 9.22 0.00 0.00 0.44 3.11 -1.95 -2.75 116.57 124.64 1khn h LYS 73 Ca -0.40 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 1khn h LYS 73 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1khn h LYS 73 CO 0.95 0.00 -0.10 0.41 -2.81 0.00 0.00 179.45 177.89 1khn n GLY 74 N -1.39 -0.17 0.39 5.01 0.00 -1.26 -4.28 105.19 103.48 1khn n GLY 74 Ca 0.02 -0.03 0.24 0.00 0.00 0.00 0.00 46.02 46.25 1khn n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1khn h ILE 75 N -0.10 0.41 -0.01 -0.61 2.04 -1.80 -0.46 117.51 116.98 1khn h ILE 75 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1khn h ILE 75 Cb 0.10 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1khn h ILE 75 CO 0.00 0.07 -0.46 0.47 0.00 0.00 0.00 178.15 178.23 1khn n ASP 76 N -4.80 1.87 -1.00 1.72 8.00 -1.04 -4.39 116.55 116.91 1khn n ASP 76 Ca 0.29 -1.42 0.04 0.00 0.71 0.00 0.00 54.79 54.41 1khn n ASP 76 Cb 0.96 0.44 0.18 0.00 -0.02 0.00 0.00 41.12 42.68 1khn n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1khn n ALA 77 N -0.14 2.95 -2.49 2.24 0.00 -0.18 -4.85 120.51 118.03 1khn n ALA 77 Ca 0.10 -0.80 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 1khn n ALA 77 Cb 0.45 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 1khn n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1khn s LEU 78 N -1.19 4.83 0.13 0.00 1.43 -1.26 -4.40 118.68 118.23 1khn s LEU 78 Ca 0.24 -0.65 -0.33 0.00 -1.03 0.00 0.00 54.13 52.37 1khn s LEU 78 Cb 0.17 -2.43 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 1khn s LEU 78 CO 0.10 -0.61 1.55 1.55 0.23 0.00 0.00 176.35 179.17 1khn h PRO 79 N 8.75 -0.37 -5.92 1.29 0.13 -1.89 -3.42 132.00 130.56 1khn h PRO 79 Ca -0.26 0.03 -0.58 0.00 -0.87 0.00 0.00 66.00 64.32 1khn h PRO 79 Cb 1.11 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1khn h PRO 79 CO 0.81 -0.25 0.28 -0.51 -0.23 0.00 0.00 178.00 178.10 1khn s LEU 80 N -10.36 4.20 0.12 1.56 2.01 -1.03 -4.95 118.68 110.23 1khn s LEU 80 Ca -0.14 1.13 0.02 0.00 0.01 0.00 0.00 54.13 55.14 1khn s LEU 80 Cb 0.09 -3.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.09 1khn s LEU 80 CO 0.62 -0.32 -0.05 0.42 1.01 0.00 0.00 176.35 178.03 1khn s THR 81 N 1.81 0.73 0.03 5.49 -4.23 -1.26 -0.59 115.64 117.61 1khn s THR 81 Ca 0.37 -1.96 -0.25 0.00 -1.18 0.00 0.00 61.69 58.66 1khn s THR 81 Cb -0.17 -1.80 0.09 0.00 1.34 0.00 0.00 72.50 71.96 1khn s THR 81 CO 0.14 -0.77 1.17 0.61 -0.54 0.00 0.00 174.62 175.22 1khn n GLY 82 N -0.10 0.33 3.53 3.99 0.00 -0.62 -3.96 105.19 108.36 1khn n GLY 82 Ca -0.11 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 1khn n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1khn s GLN 83 N -2.02 1.98 0.02 1.61 1.11 -0.93 -1.48 119.66 119.94 1khn s GLN 83 Ca 0.27 -1.08 0.01 0.00 0.01 0.00 0.00 55.36 54.57 1khn s GLN 83 Cb -0.01 -2.22 -0.01 0.00 -1.01 0.00 0.00 33.01 29.75 1khn s GLN 83 CO 0.01 0.50 -0.04 1.52 0.01 0.00 0.00 175.29 177.29 1khn s TYR 84 N -1.16 0.32 0.42 0.91 1.13 -0.43 -2.35 117.35 116.19 1khn s TYR 84 Ca 0.19 -0.36 -0.03 0.00 -1.41 0.00 0.00 57.07 55.47 1khn s TYR 84 Cb -0.11 -0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.51 1khn s TYR 84 CO 0.11 -0.10 0.68 0.95 -2.51 0.00 0.00 175.55 174.68 1khn s THR 85 N -0.97 4.99 -0.30 -3.49 -4.23 -0.97 -2.79 115.64 107.89 1khn s THR 85 Ca -0.09 -0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.52 1khn s THR 85 Cb -0.07 -3.86 0.45 0.00 1.34 0.00 0.00 72.50 70.37 1khn s THR 85 CO -0.00 -0.71 1.34 0.00 -0.54 0.00 0.00 174.62 174.71 1khn n HIS 86 N -2.01 -0.54 -2.39 3.99 1.44 -1.26 -0.84 115.22 113.61 1khn n HIS 86 Ca -0.02 -1.90 -0.39 0.00 -2.01 0.00 0.00 57.72 53.41 1khn n HIS 86 Cb 0.55 0.74 -0.03 0.00 0.12 0.00 0.00 29.99 31.37 1khn n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1khn s TYR 87 N -1.66 3.25 0.00 -1.40 1.13 -1.26 -4.17 117.35 113.23 1khn s TYR 87 Ca 0.17 1.61 0.00 0.00 -1.41 0.00 0.00 57.07 57.44 1khn s TYR 87 Cb 0.39 -3.32 0.00 0.00 -1.10 0.00 0.00 41.96 37.93 1khn s TYR 87 CO -0.09 -0.98 0.00 0.00 -2.51 0.00 0.00 175.55 171.97 1khn n ALA 88 N 0.39 0.00 -2.80 9.51 0.00 0.79 -4.84 120.51 123.56 1khn n ALA 88 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1khn n ALA 88 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 1khn n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1khn s LEU 89 N 0.00 2.14 -0.04 0.00 1.43 -0.68 -0.65 118.68 120.88 1khn s LEU 89 Ca 0.00 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1khn s LEU 89 Cb 0.00 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1khn s LEU 89 CO 0.00 -0.07 1.10 0.21 0.23 0.00 0.00 176.35 177.82 1khn s ASN 90 N -0.91 7.18 0.22 2.29 3.84 0.95 -3.54 114.94 124.98 1khn s ASN 90 Ca -0.04 1.73 -0.08 0.00 0.21 0.00 0.00 52.86 54.68 1khn s ASN 90 Cb -0.06 -2.56 0.27 0.00 -0.55 0.00 0.00 41.25 38.34 1khn s ASN 90 CO 0.00 -0.46 1.83 0.50 -2.79 0.00 0.00 177.10 176.17 1khn h LYS 91 N 7.12 0.77 0.00 0.43 3.64 -1.94 -1.06 116.57 125.53 1khn h LYS 91 Ca -0.36 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1khn h LYS 91 Cb 1.18 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1khn h LYS 91 CO 0.84 0.51 0.00 1.63 -2.27 0.00 0.00 179.45 180.16 1khn n LYS 92 N -4.72 0.00 0.24 1.90 5.02 -1.26 -4.34 118.16 115.00 1khn n LYS 92 Ca 0.10 0.33 0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1khn n LYS 92 Cb 0.17 -1.11 0.59 0.00 -0.02 0.00 0.00 35.03 34.66 1khn n LYS 92 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1khn h THR 93 N 0.00 0.55 -0.36 -0.18 1.35 -2.00 -3.47 112.91 108.80 1khn h THR 93 Ca 0.00 -0.85 -0.12 0.00 -0.55 0.00 0.00 66.41 64.89 1khn h THR 93 Cb 0.00 1.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 1khn h THR 93 CO 0.00 0.17 -0.12 0.61 -0.25 0.00 0.00 175.52 175.94 1khn n GLY 94 N -0.24 0.74 3.92 5.82 0.00 -0.40 -5.02 105.19 110.00 1khn n GLY 94 Ca -0.01 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1khn n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khn s LYS 95 N -2.76 3.30 0.42 1.61 -0.14 -1.26 -4.80 119.74 116.12 1khn s LYS 95 Ca 0.00 0.04 -0.24 0.00 -1.36 0.00 0.00 55.97 54.41 1khn s LYS 95 Cb 0.00 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 33.69 1khn s LYS 95 CO 0.00 -0.34 1.10 -2.14 -0.76 0.00 0.00 175.35 173.21 1khn s PRO 96 N -4.78 3.99 -0.32 -1.68 0.02 -1.26 -0.03 135.00 130.93 1khn s PRO 96 Ca 0.49 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 63.12 1khn s PRO 96 Cb -0.10 -2.49 0.06 0.00 0.02 0.00 0.00 34.50 31.99 1khn s PRO 96 CO 0.44 -0.32 0.04 0.34 -0.33 0.00 0.00 177.00 177.17 1khn s ASP 97 N -1.46 4.99 0.54 2.53 -1.08 0.18 -4.56 116.67 117.80 1khn s ASP 97 Ca 0.60 -1.41 0.24 0.00 -0.52 0.00 0.00 52.55 51.46 1khn s ASP 97 Cb -0.25 -1.74 1.40 0.00 -1.46 0.00 0.00 42.92 40.87 1khn s ASP 97 CO 0.31 -0.32 2.03 1.88 0.52 0.00 0.00 175.17 179.59 1khn h TYR 98 N 8.02 0.00 -3.67 -5.34 0.05 -1.94 0.23 116.97 114.31 1khn h TYR 98 Ca -0.19 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 57.90 1khn h TYR 98 Cb 1.06 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.45 1khn h TYR 98 CO 0.60 0.00 -0.66 0.08 -1.05 0.00 0.00 178.16 177.13 1khn s VAL 99 N -4.98 2.95 1.16 -2.88 1.01 -1.26 -4.54 120.40 111.86 1khn s VAL 99 Ca -0.05 -1.75 -0.19 0.00 0.00 0.00 0.00 61.98 59.99 1khn s VAL 99 Cb 0.19 -2.87 0.28 0.00 0.00 0.00 0.00 36.38 33.98 1khn s VAL 99 CO 0.70 -0.36 1.19 0.28 0.00 0.00 0.00 175.10 176.90 1khn s THR 100 N 1.16 1.67 0.19 3.92 -1.32 -1.26 -4.76 115.64 115.24 1khn s THR 100 Ca 0.01 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 1khn s THR 100 Cb -0.21 -2.65 -0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1khn s THR 100 CO -0.03 0.00 0.03 -0.90 -2.21 0.00 0.00 174.62 171.51 1khn n ASP 101 N -4.56 1.85 0.09 8.08 3.85 -1.26 -4.94 116.55 119.66 1khn n ASP 101 Ca 0.15 -1.93 0.01 0.00 -0.71 0.00 0.00 54.79 52.31 1khn n ASP 101 Cb 0.60 0.29 0.33 0.00 -1.35 0.00 0.00 41.12 40.98 1khn n ASP 101 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1khn h SER 102 N 0.60 0.28 0.00 -1.12 0.02 -1.99 -3.10 113.55 108.24 1khn h SER 102 Ca -0.16 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1khn h SER 102 Cb 0.53 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1khn h SER 102 CO 0.25 0.49 -0.25 0.00 -1.14 0.00 0.00 176.83 176.19 1khn h ALA 103 N 1.54 0.04 -0.89 3.77 0.00 -1.86 -2.39 119.26 119.47 1khn h ALA 103 Ca 0.05 -0.44 0.15 0.00 0.00 0.00 0.00 54.91 54.67 1khn h ALA 103 Cb 0.50 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1khn h ALA 103 CO 0.03 0.16 0.49 0.00 0.00 0.00 0.00 179.25 179.93 1khn h ALA 104 N -0.53 1.37 0.02 0.00 0.00 -1.67 -0.16 119.26 118.29 1khn h ALA 104 Ca -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1khn h ALA 104 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1khn h ALA 104 CO -0.03 -0.05 -0.01 0.66 0.00 0.00 0.00 179.25 179.82 1khn h SER 105 N 0.68 -0.02 -0.13 0.00 4.64 -1.69 -1.98 113.55 115.05 1khn h SER 105 Ca 0.49 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1khn h SER 105 Cb 0.69 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1khn h SER 105 CO -0.36 0.42 0.05 0.00 -0.87 0.00 0.00 176.83 176.08 1khn h ALA 106 N 0.50 1.74 -0.38 5.18 0.00 -1.10 -2.27 119.26 122.93 1khn h ALA 106 Ca -0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1khn h ALA 106 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1khn h ALA 106 CO 0.00 0.20 -0.25 1.15 0.00 0.00 0.00 179.25 180.36 1khn h THR 107 N 0.26 1.28 -0.81 0.00 2.02 -0.92 -2.83 112.91 111.91 1khn h THR 107 Ca 0.07 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 65.88 1khn h THR 107 Cb 0.10 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1khn h THR 107 CO -0.00 0.47 0.53 0.00 0.37 0.00 0.00 175.52 176.89 1khn h ALA 108 N 0.78 1.51 0.00 6.16 0.00 -0.75 0.22 119.26 127.19 1khn h ALA 108 Ca 0.08 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1khn h ALA 108 Cb 0.82 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1khn h ALA 108 CO 0.07 0.40 -1.25 0.11 0.00 0.00 0.00 179.25 178.58 1khn h TRP 109 N 0.99 0.00 0.00 0.00 0.09 -1.54 -1.01 115.95 114.48 1khn h TRP 109 Ca 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.25 1khn h TRP 109 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.29 1khn h TRP 109 CO -0.00 0.70 -0.72 0.66 0.09 0.00 0.00 178.44 179.17 1khn h SER 110 N 0.00 0.00 0.00 0.11 4.64 -1.36 -3.25 113.55 113.69 1khn h SER 110 Ca -0.14 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.01 1khn h SER 110 Cb 1.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.71 1khn h SER 110 CO 0.07 0.20 -1.64 0.41 -0.87 0.00 0.00 176.83 175.00 1khn n THR 111 N -2.93 0.64 -0.27 2.95 -1.04 0.05 -1.26 114.28 112.43 1khn n THR 111 Ca -0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1khn n THR 111 Cb 0.64 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1khn n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1khn n GLY 112 N 2.86 0.69 3.22 3.41 0.00 -0.38 -4.93 105.19 110.06 1khn n GLY 112 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1khn n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khn s VAL 113 N -2.41 1.52 0.75 1.61 0.11 -1.26 -4.89 120.40 115.83 1khn s VAL 113 Ca 0.00 -1.16 -0.11 0.00 -2.93 0.00 0.00 61.98 57.78 1khn s VAL 113 Cb 0.00 -1.33 0.04 0.00 -1.53 0.00 0.00 36.38 33.56 1khn s VAL 113 CO 0.00 0.14 1.08 -0.54 -3.33 0.00 0.00 175.10 172.45 1khn s LYS 114 N -1.20 2.50 0.26 1.54 -0.14 -1.26 -4.09 119.74 117.35 1khn s LYS 114 Ca 0.06 0.78 -0.21 0.00 -1.36 0.00 0.00 55.97 55.24 1khn s LYS 114 Cb -0.09 -1.95 0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1khn s LYS 114 CO 0.02 -1.36 0.69 -0.08 -0.76 0.00 0.00 175.35 173.86 1khn s THR 115 N -3.11 0.00 0.80 2.17 -1.32 -1.26 -4.37 115.64 108.55 1khn s THR 115 Ca 0.59 -0.82 -0.12 0.00 -1.21 0.00 0.00 61.69 60.14 1khn s THR 115 Cb -0.14 -1.81 0.07 0.00 -1.51 0.00 0.00 72.50 69.11 1khn s THR 115 CO 0.55 -0.00 1.11 -0.72 -2.21 0.00 0.00 174.62 173.34 1khn s TYR 116 N -3.89 2.87 -0.02 9.09 1.13 -1.23 -1.69 117.35 123.61 1khn s TYR 116 Ca 0.09 1.06 -0.30 0.00 -1.41 0.00 0.00 57.07 56.51 1khn s TYR 116 Cb -0.05 -3.18 -0.04 0.00 -1.10 0.00 0.00 41.96 37.59 1khn s TYR 116 CO 0.03 -1.76 1.16 -0.80 -2.51 0.00 0.00 175.55 171.67 1khn s ASN 117 N -4.05 7.11 0.00 -0.18 0.01 -1.26 -3.08 114.94 113.50 1khn s ASN 117 Ca 0.61 1.82 0.00 0.00 -0.71 0.00 0.00 52.86 54.58 1khn s ASN 117 Cb -0.14 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1khn s ASN 117 CO 0.53 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1khn n GLY 118 N 3.25 0.93 3.76 0.66 0.00 -1.26 -4.96 105.19 107.57 1khn n GLY 118 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1khn n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn s ALA 119 N -2.00 3.49 -0.20 4.61 0.00 -1.18 0.10 121.76 126.58 1khn s ALA 119 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 1khn s ALA 119 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.40 1khn s ALA 119 CO 0.00 0.15 -0.14 -0.51 0.00 0.00 0.00 175.76 175.26 1khn s LEU 120 N -0.10 2.45 -0.84 0.00 1.43 -1.11 -3.72 118.68 116.79 1khn s LEU 120 Ca 0.31 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1khn s LEU 120 Cb -0.18 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1khn s LEU 120 CO 0.16 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1khn n GLY 121 N 4.67 0.82 3.00 -3.19 0.00 -1.25 0.14 105.19 109.38 1khn n GLY 121 Ca -0.20 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1khn n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1khn s VAL 122 N -1.83 0.75 0.02 1.61 -7.23 -1.26 -1.98 120.40 110.48 1khn s VAL 122 Ca 0.00 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1khn s VAL 122 Cb 0.00 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1khn s VAL 122 CO 0.00 0.23 0.02 -0.90 -0.31 0.00 0.00 175.10 174.14 1khn n ASP 123 N 3.19 -0.90 0.08 4.85 5.68 -0.05 -4.76 116.55 124.63 1khn n ASP 123 Ca -0.17 -0.57 0.11 0.00 -0.50 0.00 0.00 54.79 53.67 1khn n ASP 123 Cb 0.55 -0.02 0.44 0.00 -1.14 0.00 0.00 41.12 40.96 1khn n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1khn n ILE 124 N -2.48 0.72 1.36 2.12 -5.35 -1.26 -1.93 119.36 112.55 1khn n ILE 124 Ca 0.00 0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.72 1khn n ILE 124 Cb 0.01 -0.92 0.45 0.00 -1.74 0.00 0.00 39.64 37.44 1khn n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1khn n HIS 125 N -1.96 0.00 -1.01 4.28 8.25 -1.26 -4.90 115.22 118.61 1khn n HIS 125 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1khn n HIS 125 Cb 0.27 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 1khn n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1khn n GLU 126 N -0.29 -0.13 -2.69 -0.41 1.02 -0.81 -5.01 120.64 112.31 1khn n GLU 126 Ca 0.15 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 57.06 1khn n GLU 126 Cb 0.35 -3.39 -0.05 0.00 -0.02 0.00 0.00 31.44 28.33 1khn n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1khn s LYS 127 N -0.65 4.74 0.36 3.49 2.20 -1.26 -4.73 119.74 123.88 1khn s LYS 127 Ca 0.00 1.52 -0.25 0.00 -0.36 0.00 0.00 55.97 56.88 1khn s LYS 127 Cb 0.00 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.90 1khn s LYS 127 CO 0.00 0.30 0.97 -0.51 -0.36 0.00 0.00 175.35 175.75 1khn s ASP 128 N -0.48 7.15 0.03 1.43 1.11 -1.26 -0.87 116.67 123.77 1khn s ASP 128 Ca 0.45 1.86 0.03 0.00 0.18 0.00 0.00 52.55 55.07 1khn s ASP 128 Cb -0.26 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.14 1khn s ASP 128 CO 0.32 -0.21 -0.09 -1.00 1.18 0.00 0.00 175.17 175.37 1khn s HIS 129 N -1.71 0.83 0.44 4.23 3.76 -0.84 -4.94 115.29 117.06 1khn s HIS 129 Ca 0.54 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.85 1khn s HIS 129 Cb -0.18 -0.50 -0.08 0.00 1.11 0.00 0.00 32.58 32.94 1khn s HIS 129 CO 0.23 -0.02 1.18 -1.25 -0.85 0.00 0.00 174.74 174.03 1khn s PRO 130 N -1.11 3.85 0.59 8.40 0.04 -1.26 -4.85 135.00 140.66 1khn s PRO 130 Ca -0.03 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 1khn s PRO 130 Cb -0.07 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 31.99 1khn s PRO 130 CO 0.01 -0.49 0.83 0.95 0.04 0.00 0.00 177.00 178.33 1khn s THR 131 N -1.48 2.57 0.10 1.26 -4.23 -1.26 -4.53 115.64 108.07 1khn s THR 131 Ca 0.61 -0.59 0.26 0.00 -1.18 0.00 0.00 61.69 60.79 1khn s THR 131 Cb -0.30 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 70.82 1khn s THR 131 CO 0.37 0.00 1.84 -0.29 -0.54 0.00 0.00 174.62 176.00 1khn h ILE 132 N -0.08 0.42 -0.10 2.99 6.09 -1.48 -1.71 117.51 123.64 1khn h ILE 132 Ca -0.42 -1.01 -0.20 0.00 -1.37 0.00 0.00 64.86 61.86 1khn h ILE 132 Cb 1.30 1.73 0.01 0.00 0.47 0.00 0.00 36.82 40.33 1khn h ILE 132 CO 0.53 0.17 -0.70 0.25 -3.07 0.00 0.00 178.15 175.33 1khn h LEU 133 N 0.00 0.79 -0.54 2.19 6.46 -1.87 -1.37 115.31 120.97 1khn h LEU 133 Ca -0.00 -0.66 -0.07 0.00 -0.12 0.00 0.00 57.88 57.03 1khn h LEU 133 Cb 0.72 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1khn h LEU 133 CO 0.02 1.33 0.07 -0.33 -0.62 0.00 0.00 178.44 178.91 1khn h GLU 134 N 0.31 0.90 0.00 1.25 5.08 -1.71 -0.51 114.58 119.90 1khn h GLU 134 Ca -0.06 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1khn h GLU 134 Cb 1.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1khn h GLU 134 CO 0.14 0.89 -0.35 0.52 -1.00 0.00 0.00 179.01 179.20 1khn h MET 135 N 0.78 0.00 0.01 2.33 2.86 -1.34 -2.32 114.93 117.25 1khn h MET 135 Ca 0.16 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1khn h MET 135 Cb 0.44 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.10 1khn h MET 135 CO 0.01 0.35 -0.35 0.00 1.06 0.00 0.00 176.91 177.99 1khn h ALA 136 N 1.65 0.03 -0.79 6.32 0.00 -0.85 -3.07 119.26 122.55 1khn h ALA 136 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1khn h ALA 136 Cb 0.82 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1khn h ALA 136 CO 0.05 0.16 0.48 0.87 0.00 0.00 0.00 179.25 180.81 1khn h LYS 137 N -0.43 0.87 -0.49 0.00 1.57 -1.04 -2.24 116.57 114.81 1khn h LYS 137 Ca -0.05 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1khn h LYS 137 Cb 1.12 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1khn h LYS 137 CO 0.07 0.57 0.22 0.00 -0.57 0.00 0.00 179.45 179.74 1khn h ALA 138 N 1.37 0.61 0.00 3.86 0.00 -1.49 -2.58 119.26 121.03 1khn h ALA 138 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1khn h ALA 138 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1khn h ALA 138 CO -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1khn n ALA 139 N -2.35 2.09 0.00 0.00 0.00 -0.88 -4.87 120.51 114.49 1khn n ALA 139 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1khn n ALA 139 Cb 0.15 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1khn n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1khn n GLY 140 N 0.32 2.28 3.74 0.00 0.00 -0.97 -5.07 105.19 105.49 1khn n GLY 140 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1khn n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1khn s LEU 141 N 0.00 3.53 0.41 0.99 1.02 -1.01 -4.82 118.68 118.81 1khn s LEU 141 Ca 0.00 2.38 -0.16 0.00 0.02 0.00 0.00 54.13 56.37 1khn s LEU 141 Cb 0.00 -4.59 -0.09 0.00 0.02 0.00 0.00 46.19 41.53 1khn s LEU 141 CO 0.00 -1.84 0.85 0.00 0.02 0.00 0.00 176.35 175.38 1khn s ALA 142 N -1.74 3.21 0.02 4.21 0.00 -0.61 -4.18 121.76 122.66 1khn s ALA 142 Ca 0.76 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1khn s ALA 142 Cb -0.30 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1khn s ALA 142 CO 0.38 0.08 -0.12 0.95 0.00 0.00 0.00 175.76 177.04 1khn s THR 143 N -2.27 0.95 0.00 0.00 -4.23 -1.26 -1.03 115.64 107.80 1khn s THR 143 Ca 0.56 -0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1khn s THR 143 Cb -0.10 -0.84 -0.00 0.00 1.34 0.00 0.00 72.50 72.89 1khn s THR 143 CO 0.23 0.08 0.09 -0.83 -0.54 0.00 0.00 174.62 173.65 1khn s GLY 144 N -0.78 0.08 -0.25 3.99 0.00 -0.11 -0.77 107.32 109.49 1khn s GLY 144 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.51 1khn s GLY 144 CO 0.00 -0.31 0.23 0.21 0.00 0.00 0.00 173.10 173.23 1khn s ASN 145 N -1.21 1.94 0.08 1.64 2.47 0.31 -2.05 114.94 118.12 1khn s ASN 145 Ca -0.13 -0.64 0.09 0.00 0.42 0.00 0.00 52.86 52.60 1khn s ASN 145 Cb -0.07 0.26 -0.03 0.00 -1.45 0.00 0.00 41.25 39.96 1khn s ASN 145 CO 0.01 -0.37 -0.23 0.68 -3.72 0.00 0.00 177.10 173.46 1khn s VAL 146 N 2.29 2.46 -0.01 -5.21 -7.23 0.27 -2.23 120.40 110.73 1khn s VAL 146 Ca 0.08 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 1khn s VAL 146 Cb -0.15 -2.04 0.09 0.00 0.56 0.00 0.00 36.38 34.83 1khn s VAL 146 CO -0.24 0.25 0.75 -0.55 -0.31 0.00 0.00 175.10 175.00 1khn s SER 147 N -1.63 -0.54 0.00 4.85 0.15 -0.52 -1.48 113.70 114.53 1khn s SER 147 Ca 0.14 0.37 0.26 0.00 0.70 0.00 0.00 55.95 57.43 1khn s SER 147 Cb -0.10 0.48 0.89 0.00 -1.71 0.00 0.00 66.02 65.59 1khn s SER 147 CO 0.05 -0.65 1.65 0.35 1.20 0.00 0.00 173.24 175.85 1khn n THR 148 N 0.38 0.05 -2.78 6.45 -2.24 -1.11 -3.79 114.28 111.23 1khn n THR 148 Ca -0.15 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1khn n THR 148 Cb 0.60 0.60 0.05 0.00 -2.10 0.00 0.00 70.33 69.48 1khn n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1khn n ALA 149 N 0.36 0.46 -2.08 6.98 0.00 -1.26 -1.29 120.51 123.67 1khn n ALA 149 Ca 0.18 -1.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.05 1khn n ALA 149 Cb 0.38 0.26 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 1khn n ALA 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1khn s GLU 150 N -3.67 4.57 0.58 0.00 -1.05 -1.26 -1.02 118.70 116.85 1khn s GLU 150 Ca 0.36 1.74 0.31 0.00 -0.15 0.00 0.00 54.97 57.23 1khn s GLU 150 Cb -0.02 -3.28 1.41 0.00 -0.44 0.00 0.00 34.13 31.79 1khn s GLU 150 CO 0.23 0.04 1.75 -0.07 0.95 0.00 0.00 175.26 178.16 1khn h LEU 151 N 5.20 0.00 0.00 1.83 -0.00 -1.40 0.31 115.31 121.25 1khn h LEU 151 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1khn h LEU 151 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1khn h LEU 151 CO 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.17 1khn n GLN 152 N -3.79 0.25 -1.92 1.13 3.00 -1.26 -3.57 117.38 111.22 1khn n GLN 152 Ca 0.17 0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.84 1khn n GLN 152 Cb 1.04 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.81 1khn n GLN 152 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1khn s HIS 153 N -2.71 2.39 0.33 1.08 2.46 0.11 -4.77 115.29 114.19 1khn s HIS 153 Ca 0.20 1.45 0.12 0.00 0.47 0.00 0.00 55.06 57.30 1khn s HIS 153 Cb 0.17 -3.63 1.03 0.00 -0.13 0.00 0.00 32.58 30.01 1khn s HIS 153 CO 0.41 -2.49 1.63 0.00 -2.47 0.00 0.00 174.74 171.82 1khn h ALA 154 N 1.31 1.77 -0.09 1.58 0.00 -1.89 -2.41 119.26 119.54 1khn h ALA 154 Ca -0.51 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1khn h ALA 154 Cb 1.29 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1khn h ALA 154 CO 0.57 -0.64 -0.28 1.15 0.00 0.00 0.00 179.25 180.05 1khn h THR 155 N 0.19 1.41 0.04 0.00 2.02 -1.91 -1.56 112.91 113.10 1khn h THR 155 Ca 0.71 -1.63 -0.24 0.00 0.77 0.00 0.00 66.41 66.02 1khn h THR 155 Cb 1.63 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1khn h THR 155 CO -0.69 0.47 -1.04 1.55 0.37 0.00 0.00 175.52 176.19 1khn h PRO 156 N -0.11 0.36 -0.34 6.66 0.13 -1.78 -3.34 132.00 133.57 1khn h PRO 156 Ca -0.01 -0.45 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1khn h PRO 156 Cb 0.90 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1khn h PRO 156 CO 0.06 1.14 0.19 0.00 -0.23 0.00 0.00 178.00 179.16 1khn h ALA 157 N 0.69 0.43 0.00 -0.56 0.00 -1.49 -2.97 119.26 115.36 1khn h ALA 157 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1khn h ALA 157 Cb 1.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1khn h ALA 157 CO 0.18 -0.17 0.04 0.00 0.00 0.00 0.00 179.25 179.30 1khn n ALA 158 N -2.24 0.77 -0.03 0.00 0.00 -0.59 -0.24 120.51 118.19 1khn n ALA 158 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1khn n ALA 158 Cb 0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 1khn n ALA 158 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1khn n LEU 159 N -0.87 0.00 0.00 0.00 4.77 -1.12 -4.58 117.00 115.20 1khn n LEU 159 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1khn n LEU 159 Cb 0.04 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1khn n LEU 159 CO 0.00 0.10 0.20 1.33 -1.33 0.00 0.00 177.39 177.69 1khn n VAL 160 N -2.23 0.09 -4.38 4.08 0.24 0.66 -4.45 118.33 112.34 1khn n VAL 160 Ca -0.09 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.34 61.65 1khn n VAL 160 Cb 0.60 1.25 -0.14 0.00 -1.47 0.00 0.00 33.84 34.08 1khn n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1khn s ALA 161 N -0.09 0.89 -0.24 2.33 0.00 -0.27 -4.10 121.76 120.28 1khn s ALA 161 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1khn s ALA 161 Cb 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1khn s ALA 161 CO 0.00 0.19 -0.06 -1.01 0.00 0.00 0.00 175.76 174.89 1khn s HIS 162 N -0.46 2.47 0.17 0.00 0.09 -1.26 -3.76 115.29 112.54 1khn s HIS 162 Ca 0.02 -1.81 -0.04 0.00 -0.00 0.00 0.00 55.06 53.23 1khn s HIS 162 Cb -0.05 -1.62 -0.03 0.00 -0.00 0.00 0.00 32.58 30.88 1khn s HIS 162 CO 0.00 -0.79 0.17 0.08 -0.00 0.00 0.00 174.74 174.21 1khn s VAL 163 N 1.37 0.06 -0.83 -0.90 1.01 0.12 -4.95 120.40 116.28 1khn s VAL 163 Ca -0.06 -1.75 0.23 0.00 0.00 0.00 0.00 61.98 60.40 1khn s VAL 163 Cb -0.19 -2.11 -0.14 0.00 0.00 0.00 0.00 36.38 33.94 1khn s VAL 163 CO -0.06 -0.27 1.05 0.35 0.00 0.00 0.00 175.10 176.17 1khn n THR 164 N -0.19 0.05 -3.71 3.92 -2.24 -1.26 -2.76 114.28 108.08 1khn n THR 164 Ca -0.04 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1khn n THR 164 Cb 0.64 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 1khn n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1khn s SER 165 N -3.36 -0.42 0.40 3.42 0.15 -1.23 -4.42 113.70 108.24 1khn s SER 165 Ca 0.07 0.76 0.26 0.00 0.70 0.00 0.00 55.95 57.74 1khn s SER 165 Cb 0.16 0.65 1.42 0.00 -1.71 0.00 0.00 66.02 66.54 1khn s SER 165 CO 0.81 -0.18 1.79 0.08 1.20 0.00 0.00 173.24 176.94 1khn h ARG 166 N 6.99 0.00 0.00 5.44 0.11 0.33 -2.07 114.38 125.18 1khn h ARG 166 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1khn h ARG 166 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1khn h ARG 166 CO 0.32 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.02 1khn n LYS 167 N -2.43 0.04 -1.91 0.08 5.02 -1.26 -4.39 118.16 113.31 1khn n LYS 167 Ca -0.02 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1khn n LYS 167 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1khn n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1khn h TYR 169 N 5.47 -0.71 -4.36 0.00 -1.99 -1.87 -1.87 116.97 111.63 1khn h TYR 169 Ca 0.59 -0.02 -0.23 0.00 2.00 0.00 0.00 58.73 61.07 1khn h TYR 169 Cb 0.51 0.24 -0.04 0.00 2.00 0.00 0.00 36.73 39.43 1khn h TYR 169 CO 1.49 -0.44 -0.17 0.41 -0.00 0.00 0.00 178.16 179.45 1khn n GLY 170 N -1.07 3.98 0.26 3.88 0.00 -1.26 -1.29 105.19 109.68 1khn n GLY 170 Ca -0.10 -2.26 0.03 0.00 0.00 0.00 0.00 46.02 43.69 1khn n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1khn h PRO 171 N 0.00 0.43 -0.87 1.61 0.11 -1.91 -2.85 132.00 128.53 1khn h PRO 171 Ca -0.15 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.06 1khn h PRO 171 Cb 0.44 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.39 1khn h PRO 171 CO 0.24 0.29 0.56 1.03 -0.21 0.00 0.00 178.00 179.91 1khn h SER 172 N 0.45 0.67 0.00 -2.05 0.87 -1.97 -2.95 113.55 108.57 1khn h SER 172 Ca 0.37 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1khn h SER 172 Cb 0.50 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1khn h SER 172 CO -0.35 0.36 -1.23 0.00 -0.53 0.00 0.00 176.83 175.08 1khn n ALA 173 N -2.43 4.07 -0.05 6.23 0.00 -1.14 -4.32 120.51 122.86 1khn n ALA 173 Ca 0.16 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 1khn n ALA 173 Cb 0.41 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 1khn n ALA 173 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1khn h THR 174 N 0.00 1.32 -0.19 0.00 2.02 -1.34 -0.24 112.91 114.48 1khn h THR 174 Ca 0.00 -1.75 0.05 0.00 0.77 0.00 0.00 66.41 65.49 1khn h THR 174 Cb 0.60 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1khn h THR 174 CO 0.00 0.55 0.19 0.28 0.37 0.00 0.00 175.52 176.90 1khn h SER 175 N 0.37 0.00 0.00 4.18 0.02 -1.70 0.40 113.55 116.81 1khn h SER 175 Ca -0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1khn h SER 175 Cb 1.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1khn h SER 175 CO 0.11 0.00 -0.96 1.56 -1.14 0.00 0.00 176.83 176.40 1khn h GLN 176 N 0.00 0.00 0.00 3.45 4.20 -1.70 -3.37 115.11 117.69 1khn h GLN 176 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1khn h GLN 176 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1khn h GLN 176 CO -0.00 0.64 -2.03 1.63 -0.67 0.00 0.00 178.83 178.39 1khn n LYS 177 N -4.51 0.66 -3.22 1.46 4.01 -0.12 -4.59 118.16 111.85 1khn n LYS 177 Ca -0.23 -0.13 -0.24 0.00 -0.51 0.00 0.00 58.31 57.21 1khn n LYS 177 Cb 0.52 -1.54 -0.06 0.00 -0.51 0.00 0.00 35.03 33.44 1khn n LYS 177 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1khn h PRO 179 N 3.80 0.03 0.00 0.00 0.11 -1.43 0.60 132.00 135.12 1khn h PRO 179 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1khn h PRO 179 Cb 0.82 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1khn h PRO 179 CO 0.57 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 1khn n GLY 180 N -0.84 -1.10 0.00 -0.55 0.00 -1.26 -2.47 105.19 98.97 1khn n GLY 180 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1khn n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1khn n ASN 181 N -1.26 1.92 -4.68 1.61 4.13 -0.54 -4.06 115.26 112.38 1khn n ASN 181 Ca 0.13 -0.31 -0.45 0.00 1.68 0.00 0.00 54.58 55.63 1khn n ASN 181 Cb 0.19 1.17 -0.03 0.00 -1.54 0.00 0.00 39.78 39.57 1khn n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1khn n ALA 182 N -1.47 1.65 -0.26 5.41 0.00 0.09 0.01 120.51 125.94 1khn n ALA 182 Ca -0.00 0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.92 1khn n ALA 182 Cb 0.15 -2.37 0.19 0.00 0.00 0.00 0.00 19.45 17.41 1khn n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1khn h LEU 183 N 5.57 0.27 0.04 0.00 5.85 -1.89 0.01 115.31 125.15 1khn h LEU 183 Ca -0.45 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1khn h LEU 183 Cb 1.25 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1khn h LEU 183 CO 0.86 0.10 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.50 1khn h GLU 184 N 0.44 -0.36 -1.51 1.25 3.07 -1.88 -2.27 114.58 113.31 1khn h GLU 184 Ca 0.41 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1khn h GLU 184 Cb 0.63 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1khn h GLU 184 CO -0.41 -0.24 0.00 1.63 -1.40 0.00 0.00 179.01 178.59 1khn n LYS 185 N -5.35 0.79 -1.41 2.33 5.02 -0.93 -4.74 118.16 113.88 1khn n LYS 185 Ca -0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 1khn n LYS 185 Cb 0.26 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 1khn n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1khn n GLY 186 N 0.99 1.46 3.97 0.72 0.00 -0.85 -4.79 105.19 106.68 1khn n GLY 186 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1khn n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1khn s GLY 187 N -2.85 1.80 0.56 -0.02 0.00 -0.06 -4.97 107.32 101.78 1khn s GLY 187 Ca 0.00 -1.30 0.34 0.00 0.00 0.00 0.00 44.72 43.76 1khn s GLY 187 CO 0.00 -0.98 2.04 0.50 0.00 0.00 0.00 173.10 174.67 1khn h LYS 188 N -0.08 0.00 0.00 2.90 1.57 -1.82 -3.36 116.57 115.77 1khn h LYS 188 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1khn h LYS 188 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1khn h LYS 188 CO 0.52 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.84 1khn n GLY 189 N -0.20 -0.75 3.67 3.86 0.00 0.10 -4.54 105.19 107.33 1khn n GLY 189 Ca -0.00 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 1khn n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1khn s SER 190 N -0.44 2.12 0.11 1.61 1.04 -1.26 -4.70 113.70 112.18 1khn s SER 190 Ca 0.00 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 1khn s SER 190 Cb 0.00 -1.46 -0.08 0.00 0.10 0.00 0.00 66.02 64.59 1khn s SER 190 CO 0.00 -3.41 1.70 0.40 0.98 0.00 0.00 173.24 172.91 1khn h ILE 191 N -2.09 0.79 -0.73 -1.02 2.04 -0.97 0.61 117.51 116.13 1khn h ILE 191 Ca -0.51 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1khn h ILE 191 Cb 1.32 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 1khn h ILE 191 CO 0.50 0.00 0.42 0.74 0.00 0.00 0.00 178.15 179.82 1khn h THR 192 N -0.10 0.98 -0.42 -0.27 2.02 -1.46 -0.34 112.91 113.32 1khn h THR 192 Ca 0.05 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1khn h THR 192 Cb 0.17 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1khn h THR 192 CO -0.13 0.14 -0.14 -0.33 0.37 0.00 0.00 175.52 175.44 1khn h GLU 193 N 0.77 0.84 -0.02 6.66 5.08 -1.69 -1.41 114.58 124.81 1khn h GLU 193 Ca 0.33 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1khn h GLU 193 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1khn h GLU 193 CO -0.19 0.97 -0.47 1.96 -1.00 0.00 0.00 179.01 180.29 1khn h GLN 194 N 0.66 0.04 -0.31 2.33 4.20 -0.60 -2.42 115.11 119.01 1khn h GLN 194 Ca 0.10 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1khn h GLN 194 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1khn h GLN 194 CO 0.05 0.50 0.00 1.25 -0.67 0.00 0.00 178.83 179.96 1khn h LEU 195 N 0.03 0.53 -2.22 1.46 6.46 -0.85 -0.19 115.31 120.53 1khn h LEU 195 Ca -0.00 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1khn h LEU 195 Cb 0.84 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1khn h LEU 195 CO 0.06 0.71 -0.05 -0.07 -0.62 0.00 0.00 178.44 178.47 1khn h LEU 196 N 0.34 0.00 0.13 2.25 4.07 -0.94 -2.79 115.31 118.37 1khn h LEU 196 Ca 0.09 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.73 1khn h LEU 196 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1khn h LEU 196 CO 0.02 0.05 -1.67 0.78 -1.08 0.00 0.00 178.44 176.54 1khn h ASN 197 N 0.00 0.42 -0.96 -0.43 2.35 -1.09 -3.34 115.58 112.52 1khn h ASN 197 Ca -0.00 -0.88 0.17 0.00 -0.55 0.00 0.00 56.30 55.04 1khn h ASN 197 Cb 0.23 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.38 1khn h ASN 197 CO 0.01 1.73 0.61 0.00 -1.65 0.00 0.00 177.43 178.12 1khn h ALA 198 N -0.01 1.79 -6.52 -0.83 0.00 -0.78 -3.47 119.26 109.44 1khn h ALA 198 Ca -0.36 0.04 -0.45 0.00 0.00 0.00 0.00 54.91 54.15 1khn h ALA 198 Cb 1.89 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.59 1khn h ALA 198 CO 0.07 -0.09 -0.91 -2.13 0.00 0.00 0.00 179.25 176.19 1khn n ARG 199 N -4.64 -1.09 -1.88 0.00 0.63 -1.08 -4.95 116.66 103.65 1khn n ARG 199 Ca 0.20 0.59 -0.32 0.00 -0.92 0.00 0.00 57.85 57.41 1khn n ARG 199 Cb 0.54 -3.16 0.02 0.00 0.45 0.00 0.00 32.46 30.30 1khn n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1khn s ALA 200 N -3.24 2.85 0.14 5.13 0.00 -1.26 -4.95 121.76 120.43 1khn s ALA 200 Ca 0.24 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 1khn s ALA 200 Cb -0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1khn s ALA 200 CO 0.89 -0.85 1.76 -0.44 0.00 0.00 0.00 175.76 177.12 1khn h ASP 201 N -0.10 0.50 -3.16 0.00 3.32 -1.25 -3.41 116.42 112.32 1khn h ASP 201 Ca -0.45 -0.08 -0.59 0.00 0.02 0.00 0.00 57.03 55.93 1khn h ASP 201 Cb 1.20 -0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.27 1khn h ASP 201 CO 0.59 0.43 -0.83 -0.69 -1.72 0.00 0.00 179.24 177.02 1khn s VAL 202 N -5.89 1.47 -0.15 -1.35 1.01 -0.80 0.15 120.40 114.85 1khn s VAL 202 Ca -0.13 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1khn s VAL 202 Cb 0.10 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 35.14 1khn s VAL 202 CO 0.73 0.44 -0.01 -0.89 0.00 0.00 0.00 175.10 175.37 1khn s THR 203 N 1.42 0.74 -0.01 3.92 2.01 -0.64 -0.53 115.64 122.56 1khn s THR 203 Ca 0.03 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1khn s THR 203 Cb -0.13 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 1khn s THR 203 CO -0.09 0.08 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.10 1khn s LEU 204 N 1.79 1.97 0.00 4.42 1.43 -0.95 -0.42 118.68 126.92 1khn s LEU 204 Ca 0.02 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1khn s LEU 204 Cb -0.15 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.71 1khn s LEU 204 CO -0.07 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1khn n GLY 205 N 2.99 -0.52 0.00 -3.19 0.00 -0.29 -1.44 105.19 102.73 1khn n GLY 205 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1khn n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khn n GLY 206 N 0.00 3.53 1.49 -0.02 0.00 -0.19 -1.16 105.19 108.84 1khn n GLY 206 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1khn n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khn n GLY 207 N 5.00 0.83 0.12 -0.02 0.00 0.25 -1.09 105.19 110.29 1khn n GLY 207 Ca 0.00 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.48 1khn n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn n ALA 208 N -1.86 1.98 0.11 4.61 0.00 -0.20 -3.44 120.51 121.71 1khn n ALA 208 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1khn n ALA 208 Cb 0.45 -1.43 0.15 0.00 0.00 0.00 0.00 19.45 18.61 1khn n ALA 208 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1khn h LYS 209 N 0.00 0.11 0.00 0.00 2.10 -1.68 -2.93 116.57 114.17 1khn h LYS 209 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1khn h LYS 209 Cb 0.56 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1khn h LYS 209 CO 0.00 0.69 0.00 1.15 -2.00 0.00 0.00 179.45 179.29 1khn h THR 210 N 0.08 0.00 -0.00 0.07 2.02 -1.82 -2.72 112.91 110.54 1khn h THR 210 Ca -0.01 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1khn h THR 210 Cb 1.10 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1khn h THR 210 CO 0.09 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.47 1khn n PHE 211 N -2.71 0.00 1.02 3.16 3.01 -1.10 -2.62 117.46 118.22 1khn n PHE 211 Ca 0.03 -0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.61 1khn n PHE 211 Cb 0.38 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.09 1khn n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1khn n ALA 212 N -0.89 3.60 -1.79 4.37 0.00 -1.02 -0.59 120.51 124.19 1khn n ALA 212 Ca 0.23 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1khn n ALA 212 Cb 0.13 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1khn n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1khn s GLU 213 N -2.95 4.29 0.03 0.00 2.02 -1.08 -4.75 118.70 116.26 1khn s GLU 213 Ca 0.12 1.42 -0.21 0.00 0.02 0.00 0.00 54.97 56.32 1khn s GLU 213 Cb 0.18 -2.57 -0.06 0.00 0.10 0.00 0.00 34.13 31.78 1khn s GLU 213 CO 0.69 -0.01 0.61 0.99 0.02 0.00 0.00 175.26 177.56 1khn s THR 214 N -1.71 4.81 0.35 3.63 2.01 -1.26 -0.51 115.64 122.97 1khn s THR 214 Ca 0.56 1.29 -0.27 0.00 0.31 0.00 0.00 61.69 63.58 1khn s THR 214 Cb -0.19 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1khn s THR 214 CO 0.25 0.46 1.18 0.00 -0.69 0.00 0.00 174.62 175.82 1khn s ALA 215 N -0.51 3.31 -0.02 7.40 0.00 0.10 -4.80 121.76 127.24 1khn s ALA 215 Ca 0.31 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1khn s ALA 215 Cb -0.19 -3.38 -0.27 0.00 0.00 0.00 0.00 23.12 19.28 1khn s ALA 215 CO 0.19 -0.44 0.76 1.79 0.00 0.00 0.00 175.76 178.06 1khn h THR 216 N 2.71 1.04 -0.64 0.00 1.35 -1.92 -1.27 112.91 114.18 1khn h THR 216 Ca -0.48 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1khn h THR 216 Cb 1.23 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 1khn h THR 216 CO 0.64 0.78 0.00 0.00 -0.25 0.00 0.00 175.52 176.70 1khn n ALA 217 N -2.69 0.00 -0.97 6.62 0.00 -1.26 -4.84 120.51 117.37 1khn n ALA 217 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.34 1khn n ALA 217 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.47 1khn n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1khn n GLY 218 N 2.42 -1.14 0.39 0.00 0.00 -1.26 -2.46 105.19 103.14 1khn n GLY 218 Ca 0.00 -0.83 0.17 0.00 0.00 0.00 0.00 46.02 45.37 1khn n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1khn h GLU 219 N 0.00 0.35 -0.20 1.61 4.81 -2.01 -3.07 114.58 116.07 1khn h GLU 219 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1khn h GLU 219 Cb 0.60 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1khn h GLU 219 CO 0.00 0.23 -0.01 0.91 -0.73 0.00 0.00 179.01 179.42 1khn n TRP 220 N -4.47 0.70 -1.02 0.92 8.01 -1.26 -5.07 117.44 115.26 1khn n TRP 220 Ca 0.15 -0.96 -0.34 0.00 -1.31 0.00 0.00 57.50 55.04 1khn n TRP 220 Cb 0.60 -0.28 0.11 0.00 -2.01 0.00 0.00 31.31 29.73 1khn n TRP 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1khn n GLN 221 N -0.80 0.02 0.00 -0.99 10.64 -1.03 -2.11 117.38 123.11 1khn n GLN 221 Ca 0.21 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1khn n GLN 221 Cb 0.84 -2.05 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 1khn n GLN 221 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1khn n GLY 222 N 1.20 2.98 3.93 2.61 0.00 -0.48 -4.87 105.19 110.57 1khn n GLY 222 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1khn n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khn s LYS 223 N -0.06 3.51 0.59 1.61 -0.14 -0.90 -4.85 119.74 119.50 1khn s LYS 223 Ca 0.00 -0.36 -0.13 0.00 -1.36 0.00 0.00 55.97 54.12 1khn s LYS 223 Cb 0.00 -2.77 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 1khn s LYS 223 CO 0.00 0.31 1.02 0.95 -0.76 0.00 0.00 175.35 176.87 1khn s THR 224 N -2.04 4.50 0.38 2.17 -4.23 -1.26 -0.72 115.64 114.44 1khn s THR 224 Ca 0.39 0.97 0.25 0.00 -1.18 0.00 0.00 61.69 62.13 1khn s THR 224 Cb -0.10 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.27 1khn s THR 224 CO 0.31 -0.91 2.02 -0.07 -0.54 0.00 0.00 174.62 175.44 1khn h LEU 225 N 0.13 0.00 -0.03 4.79 3.38 -0.32 -0.73 115.31 122.54 1khn h LEU 225 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1khn h LEU 225 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1khn h LEU 225 CO 0.61 0.15 -0.01 -0.09 0.09 0.00 0.00 178.44 179.19 1khn h ARG 226 N 0.00 0.05 -0.65 1.13 2.43 -1.13 -0.94 114.38 115.28 1khn h ARG 226 Ca -0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1khn h ARG 226 Cb 0.41 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1khn h ARG 226 CO 0.02 0.42 0.39 0.93 -1.51 0.00 0.00 179.97 180.22 1khn h GLU 227 N -0.32 0.72 -0.47 0.20 5.08 -1.66 -1.25 114.58 116.89 1khn h GLU 227 Ca 0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1khn h GLU 227 Cb 0.40 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1khn h GLU 227 CO 0.00 0.48 0.25 1.49 -1.00 0.00 0.00 179.01 180.23 1khn h GLU 228 N 0.74 0.48 -0.88 2.33 4.81 -1.03 0.47 114.58 121.51 1khn h GLU 228 Ca 0.27 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.61 1khn h GLU 228 Cb 0.09 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.27 1khn h GLU 228 CO -0.13 0.32 0.49 0.00 -0.73 0.00 0.00 179.01 178.95 1khn h ALA 229 N 1.23 1.32 0.00 2.92 0.00 -0.02 0.22 119.26 124.93 1khn h ALA 229 Ca 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1khn h ALA 229 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1khn h ALA 229 CO -0.12 0.00 -0.00 0.93 0.00 0.00 0.00 179.25 180.06 1khn h GLU 230 N 0.73 -0.01 -0.91 0.00 5.08 -0.60 -1.89 114.58 116.98 1khn h GLU 230 Ca 0.46 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.94 1khn h GLU 230 Cb 0.58 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1khn h GLU 230 CO -0.32 0.34 0.59 0.00 -1.00 0.00 0.00 179.01 178.62 1khn h ALA 231 N 0.64 1.68 0.00 3.43 0.00 0.11 -0.32 119.26 124.80 1khn h ALA 231 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1khn h ALA 231 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1khn h ALA 231 CO 0.00 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.90 1khn n ARG 232 N -4.56 0.73 -0.33 0.00 5.12 0.67 -4.86 116.66 113.42 1khn n ARG 232 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1khn n ARG 232 Cb 0.37 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1khn n ARG 232 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1khn n GLY 233 N 0.45 0.82 3.79 -0.13 0.00 -0.13 -5.00 105.19 104.99 1khn n GLY 233 Ca 0.17 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1khn n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1khn s TYR 234 N -2.00 3.74 -0.19 1.61 1.51 -0.72 -3.78 117.35 117.52 1khn s TYR 234 Ca 0.00 1.62 -0.20 0.00 -1.01 0.00 0.00 57.07 57.48 1khn s TYR 234 Cb 0.00 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1khn s TYR 234 CO 0.00 0.33 0.58 -0.65 -1.11 0.00 0.00 175.55 174.71 1khn s GLN 235 N -1.79 4.22 -0.32 -0.62 -0.21 0.11 -4.53 119.66 116.53 1khn s GLN 235 Ca 0.44 0.54 -0.11 0.00 0.02 0.00 0.00 55.36 56.26 1khn s GLN 235 Cb -0.19 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 1khn s GLN 235 CO 0.24 -0.17 0.18 -0.51 -2.12 0.00 0.00 175.29 172.91 1khn s LEU 236 N 1.67 4.25 -0.05 2.90 1.02 -1.26 -0.63 118.68 126.58 1khn s LEU 236 Ca 0.27 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.94 1khn s LEU 236 Cb -0.16 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 1khn s LEU 236 CO 0.10 -0.22 -0.21 0.68 0.02 0.00 0.00 176.35 176.73 1khn s VAL 237 N 1.64 2.45 0.00 -1.59 -7.23 -0.60 -5.02 120.40 110.05 1khn s VAL 237 Ca 0.05 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1khn s VAL 237 Cb -0.17 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1khn s VAL 237 CO 0.07 0.57 0.43 -1.54 -0.31 0.00 0.00 175.10 174.33 1khn n SER 238 N 2.70 0.85 -3.95 4.85 3.41 -1.26 -1.17 113.62 119.05 1khn n SER 238 Ca -0.17 -1.01 -0.09 0.00 -0.26 0.00 0.00 58.87 57.34 1khn n SER 238 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1khn n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1khn s ASP 239 N -0.01 -0.11 0.24 4.04 1.47 -1.26 -4.35 116.67 116.69 1khn s ASP 239 Ca 0.00 -0.85 -0.05 0.00 1.18 0.00 0.00 52.55 52.83 1khn s ASP 239 Cb 0.00 0.57 0.35 0.00 -0.34 0.00 0.00 42.92 43.51 1khn s ASP 239 CO 0.00 -1.11 1.84 0.00 0.68 0.00 0.00 175.17 176.58 1khn h ALA 240 N 2.27 1.18 -0.62 2.11 0.00 -1.04 -1.74 119.26 121.41 1khn h ALA 240 Ca -0.27 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1khn h ALA 240 Cb 1.25 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1khn h ALA 240 CO 0.37 0.22 0.28 0.00 0.00 0.00 0.00 179.25 180.12 1khn h ALA 241 N 1.42 0.83 -0.10 0.00 0.00 -1.97 0.42 119.26 119.86 1khn h ALA 241 Ca 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1khn h ALA 241 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1khn h ALA 241 CO -0.20 -0.12 -0.07 0.77 0.00 0.00 0.00 179.25 179.63 1khn h SER 242 N 0.50 0.24 -0.15 0.00 0.02 -1.86 -2.63 113.55 109.67 1khn h SER 242 Ca 0.31 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1khn h SER 242 Cb 0.32 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1khn h SER 242 CO -0.26 0.64 -0.19 0.25 -1.14 0.00 0.00 176.83 176.12 1khn h LEU 243 N -0.16 -0.59 -1.61 5.07 5.85 -0.93 -1.22 115.31 121.72 1khn h LEU 243 Ca 0.02 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.97 1khn h LEU 243 Cb 0.56 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1khn h LEU 243 CO 0.02 -0.24 0.46 0.78 -0.34 0.00 0.00 178.44 179.12 1khn h ASN 244 N -0.23 0.38 1.08 1.25 -0.26 -0.95 -1.46 115.58 115.39 1khn h ASN 244 Ca 0.11 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1khn h ASN 244 Cb 0.38 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1khn h ASN 244 CO -0.29 0.21 -0.13 -1.28 -1.06 0.00 0.00 177.43 174.89 1khn h SER 245 N 0.41 0.00 -3.17 5.81 0.87 -0.84 -3.45 113.55 113.19 1khn h SER 245 Ca 0.33 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.36 1khn h SER 245 Cb 0.71 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.73 1khn h SER 245 CO -0.10 0.13 0.80 -0.69 -0.53 0.00 0.00 176.83 176.44 1khn s VAL 246 N -3.60 2.65 -0.02 2.23 1.01 -0.55 -4.90 120.40 117.23 1khn s VAL 246 Ca 0.01 0.52 0.13 0.00 0.00 0.00 0.00 61.98 62.64 1khn s VAL 246 Cb 0.09 -3.33 -0.20 0.00 0.00 0.00 0.00 36.38 32.94 1khn s VAL 246 CO 0.61 0.07 0.28 0.35 0.00 0.00 0.00 175.10 176.41 1khn n THR 247 N 2.97 0.01 -3.58 3.92 -2.24 -1.26 -5.04 114.28 109.06 1khn n THR 247 Ca 0.09 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1khn n THR 247 Cb 0.40 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1khn n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1khn s GLU 248 N -2.90 0.97 -0.18 -0.78 -1.05 -1.26 -4.96 118.70 108.54 1khn s GLU 248 Ca -0.05 0.10 -0.04 0.00 -0.15 0.00 0.00 54.97 54.83 1khn s GLU 248 Cb 0.08 0.45 0.09 0.00 -0.44 0.00 0.00 34.13 34.31 1khn s GLU 248 CO 0.54 -0.30 0.28 0.00 0.95 0.00 0.00 175.26 176.73 1khn s ALA 249 N -1.37 -0.59 0.00 -0.84 0.00 -1.26 -4.91 121.76 112.79 1khn s ALA 249 Ca -0.11 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1khn s ALA 249 Cb -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1khn s ALA 249 CO 0.07 -0.99 0.00 0.27 0.00 0.00 0.00 175.76 175.12 1khn n ASN 250 N 5.34 0.00 0.18 0.00 0.23 -0.56 -4.81 115.26 115.65 1khn n ASN 250 Ca -0.05 -0.59 0.04 0.00 -0.53 0.00 0.00 54.58 53.44 1khn n ASN 250 Cb 0.50 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.52 1khn n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1khn h GLN 251 N 0.00 0.00 0.16 -3.83 1.08 -1.93 -0.43 115.11 110.16 1khn h GLN 251 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 1khn h GLN 251 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1khn h GLN 251 CO 0.00 0.42 -1.29 0.37 -0.95 0.00 0.00 178.83 177.38 1khn h GLN 252 N 0.00 0.34 -2.22 1.46 4.15 -1.96 -3.39 115.11 113.49 1khn h GLN 252 Ca -0.00 -0.57 -0.59 0.00 0.77 0.00 0.00 58.65 58.26 1khn h GLN 252 Cb 0.85 0.21 -0.41 0.00 0.21 0.00 0.00 27.48 28.35 1khn h GLN 252 CO 0.05 1.27 -0.81 1.63 -1.93 0.00 0.00 178.83 179.05 1khn n LYS 253 N -3.58 1.63 -1.55 1.69 4.76 -1.14 -4.81 118.16 115.17 1khn n LYS 253 Ca -0.10 -4.02 -0.33 0.00 -2.87 0.00 0.00 58.31 50.99 1khn n LYS 253 Cb 1.04 -1.84 0.07 0.00 -1.84 0.00 0.00 35.03 32.46 1khn n LYS 253 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1khn s PRO 254 N -1.73 2.47 -0.10 1.97 0.02 -0.18 -1.50 135.00 135.94 1khn s PRO 254 Ca 0.36 1.45 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 1khn s PRO 254 Cb 0.13 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 1khn s PRO 254 CO -0.08 -1.52 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.85 1khn s LEU 255 N -5.18 3.20 -0.21 -5.54 2.96 0.12 0.09 118.68 114.12 1khn s LEU 255 Ca 0.68 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1khn s LEU 255 Cb -0.22 -1.73 0.07 0.00 0.50 0.00 0.00 46.19 44.81 1khn s LEU 255 CO 0.45 0.28 0.05 -0.22 -1.32 0.00 0.00 176.35 175.59 1khn s LEU 256 N -0.32 1.24 -0.27 -0.68 2.96 0.20 -1.62 118.68 120.18 1khn s LEU 256 Ca 0.05 -0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 52.99 1khn s LEU 256 Cb -0.12 -0.60 0.01 0.00 0.50 0.00 0.00 46.19 45.97 1khn s LEU 256 CO 0.02 -0.32 0.03 -0.83 -1.32 0.00 0.00 176.35 173.93 1khn s GLY 257 N 1.85 1.73 -0.44 7.98 0.00 0.44 -1.56 107.32 117.32 1khn s GLY 257 Ca 0.01 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1khn s GLY 257 CO -0.11 0.58 0.20 1.08 0.00 0.00 0.00 173.10 174.84 1khn s LEU 258 N 1.48 4.94 0.00 0.66 1.43 -0.32 -1.13 118.68 125.73 1khn s LEU 258 Ca 0.03 -2.36 0.26 0.00 -1.03 0.00 0.00 54.13 51.03 1khn s LEU 258 Cb -0.16 -1.73 0.68 0.00 0.03 0.00 0.00 46.19 45.00 1khn s LEU 258 CO 0.00 -0.41 1.52 0.49 0.23 0.00 0.00 176.35 178.18 1khn n PHE 259 N 4.07 0.00 -3.52 0.29 3.72 -0.30 -4.38 117.46 117.34 1khn n PHE 259 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.26 1khn n PHE 259 Cb 0.40 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 1khn n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1khn s ALA 260 N -2.26 -1.79 0.04 4.37 0.00 -1.26 -4.94 121.76 115.91 1khn s ALA 260 Ca 0.29 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 1khn s ALA 260 Cb 0.20 -0.07 -0.17 0.00 0.00 0.00 0.00 23.12 23.08 1khn s ALA 260 CO 0.44 -0.38 1.45 -0.44 0.00 0.00 0.00 175.76 176.82 1khn h ASP 261 N 2.86 -0.30 0.00 0.00 3.32 -1.93 0.03 116.42 120.40 1khn h ASP 261 Ca -0.26 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1khn h ASP 261 Cb 1.15 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1khn h ASP 261 CO 0.38 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.46 1khn n GLY 262 N -0.68 0.46 3.88 2.75 0.00 -1.26 -1.03 105.19 109.31 1khn n GLY 262 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1khn n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1khn s ASN 263 N -0.83 6.51 0.54 1.61 0.02 -1.26 0.86 114.94 122.40 1khn s ASN 263 Ca 0.00 1.10 -0.20 0.00 -1.02 0.00 0.00 52.86 52.75 1khn s ASN 263 Cb 0.00 -2.31 -0.06 0.00 0.02 0.00 0.00 41.25 38.90 1khn s ASN 263 CO 0.00 -0.39 1.14 -0.04 0.02 0.00 0.00 177.10 177.83 1khn s MET 264 N -3.84 3.33 0.65 -0.60 -1.94 -0.41 -4.85 119.30 111.65 1khn s MET 264 Ca 0.51 1.65 -0.16 0.00 -1.71 0.00 0.00 55.69 55.97 1khn s MET 264 Cb -0.10 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.72 1khn s MET 264 CO 0.31 -0.87 1.15 -2.14 -0.01 0.00 0.00 175.02 173.46 1khn s PRO 265 N -3.25 2.72 0.61 2.03 0.02 -1.26 -4.92 135.00 130.93 1khn s PRO 265 Ca 0.73 1.58 -0.15 0.00 0.02 0.00 0.00 61.00 63.18 1khn s PRO 265 Cb -0.25 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 1khn s PRO 265 CO 0.28 -1.35 1.05 0.14 -0.33 0.00 0.00 177.00 176.79 1khn s VAL 266 N -2.07 3.99 0.02 3.83 -7.23 -1.26 -5.01 120.40 112.68 1khn s VAL 266 Ca 0.71 0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 61.56 1khn s VAL 266 Cb -0.25 -3.45 -0.23 0.00 0.56 0.00 0.00 36.38 33.02 1khn s VAL 266 CO 0.39 -0.63 1.13 0.03 -0.31 0.00 0.00 175.10 175.71 1khn h ARG 267 N 0.22 0.46 -6.34 4.82 3.08 -1.88 -3.42 114.38 111.32 1khn h ARG 267 Ca -0.46 -0.47 -0.60 0.00 0.07 0.00 0.00 59.98 58.52 1khn h ARG 267 Cb 1.21 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 31.26 1khn h ARG 267 CO 0.58 1.12 -0.71 -1.58 -1.07 0.00 0.00 179.97 178.31 1khn s TRP 268 N -3.29 2.59 0.09 3.04 0.52 -1.26 -0.02 118.94 120.61 1khn s TRP 268 Ca -0.13 -0.24 0.08 0.00 0.02 0.00 0.00 56.10 55.83 1khn s TRP 268 Cb 0.04 -1.21 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 1khn s TRP 268 CO 0.83 0.58 -0.17 -1.17 0.02 0.00 0.00 176.95 177.04 1khn s LEU 269 N -3.20 2.69 -0.19 2.99 1.98 0.14 -3.99 118.68 119.11 1khn s LEU 269 Ca 0.28 -0.50 -0.32 0.00 -2.89 0.00 0.00 54.13 50.69 1khn s LEU 269 Cb -0.07 -1.55 0.15 0.00 0.66 0.00 0.00 46.19 45.37 1khn s LEU 269 CO 0.16 0.21 1.18 -0.83 -1.89 0.00 0.00 176.35 175.18 1khn s GLY 270 N -1.89 -0.22 0.61 7.98 0.00 -1.26 -2.10 107.32 110.45 1khn s GLY 270 Ca 0.17 1.91 -0.18 0.00 0.00 0.00 0.00 44.72 46.62 1khn s GLY 270 CO 0.09 0.74 1.19 -4.14 0.00 0.00 0.00 173.10 170.98 1khn s PRO 271 N -1.90 2.92 0.32 2.90 0.02 -1.26 -4.87 135.00 133.13 1khn s PRO 271 Ca 0.07 1.75 -0.27 0.00 0.02 0.00 0.00 61.00 62.56 1khn s PRO 271 Cb -0.01 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1khn s PRO 271 CO -0.04 -1.23 1.05 0.21 -0.33 0.00 0.00 177.00 176.65 1khn s LYS 272 N -3.46 4.48 0.59 5.54 2.20 -1.26 -4.60 119.74 123.23 1khn s LYS 272 Ca 0.75 1.61 -0.19 0.00 -0.36 0.00 0.00 55.97 57.79 1khn s LYS 272 Cb -0.28 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1khn s LYS 272 CO 0.34 0.12 1.04 0.00 -0.36 0.00 0.00 175.35 176.50 1khn n ALA 273 N 0.69 0.42 -2.34 3.13 0.00 0.15 -5.00 120.51 117.56 1khn n ALA 273 Ca 0.01 0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1khn n ALA 273 Cb 0.47 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 1khn n ALA 273 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1khn s THR 274 N -1.46 0.65 -0.14 0.00 -4.23 -0.41 -4.78 115.64 105.26 1khn s THR 274 Ca 0.75 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1khn s THR 274 Cb -0.42 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1khn s THR 274 CO 0.47 0.00 1.43 -0.47 -0.54 0.00 0.00 174.62 175.51 1khn s TYR 275 N -3.66 2.47 -1.25 3.99 5.04 -1.26 -0.35 117.35 122.33 1khn s TYR 275 Ca 0.37 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1khn s TYR 275 Cb 0.08 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1khn s TYR 275 CO 0.14 -2.55 0.00 0.72 -1.34 0.00 0.00 175.55 172.52 1khn n HIS 276 N 7.02 -0.34 0.31 4.97 8.25 -1.26 -4.90 115.22 129.27 1khn n HIS 276 Ca 0.16 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.81 1khn n HIS 276 Cb 0.44 -2.65 0.95 0.00 1.12 0.00 0.00 29.99 29.85 1khn n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1khn h GLY 277 N 0.00 0.00 1.91 -1.41 0.00 -1.38 -0.34 103.07 101.85 1khn h GLY 277 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1khn h GLY 277 CO 0.38 0.00 -0.05 1.16 0.00 0.00 0.00 176.54 178.03 1khn n ASN 278 N -3.11 0.44 -0.01 0.19 6.94 -1.26 -2.91 115.26 115.54 1khn n ASN 278 Ca -0.01 0.48 -0.02 0.00 -0.02 0.00 0.00 54.58 55.01 1khn n ASN 278 Cb 0.19 -0.57 -0.02 0.00 -2.36 0.00 0.00 39.78 37.02 1khn n ASN 278 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1khn n ILE 279 N -1.89 0.18 0.36 1.53 -5.35 -0.77 -4.66 119.36 108.76 1khn n ILE 279 Ca 0.06 -0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.57 1khn n ILE 279 Cb 0.39 -0.75 0.19 0.00 -1.74 0.00 0.00 39.64 37.72 1khn n ILE 279 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1khn h ASP 280 N 0.00 0.00 -3.69 7.28 3.32 -1.26 -3.46 116.42 118.60 1khn h ASP 280 Ca -0.07 -0.04 -0.59 0.00 0.02 0.00 0.00 57.03 56.35 1khn h ASP 280 Cb 1.13 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 1khn h ASP 280 CO -0.00 0.02 -0.82 -0.54 -1.72 0.00 0.00 179.24 176.18 1khn s LYS 281 N -3.21 1.31 0.56 3.56 1.02 -1.14 -5.05 119.74 116.79 1khn s LYS 281 Ca 0.06 -1.36 -0.18 0.00 0.02 0.00 0.00 55.97 54.51 1khn s LYS 281 Cb 0.09 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1khn s LYS 281 CO 0.69 0.34 1.08 -1.25 -0.92 0.00 0.00 175.35 175.29 1khn s PRO 282 N -2.41 3.36 0.48 -1.68 0.04 -1.26 -4.67 135.00 128.86 1khn s PRO 282 Ca 0.14 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.33 1khn s PRO 282 Cb -0.08 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1khn s PRO 282 CO 0.07 -0.80 1.41 0.00 0.04 0.00 0.00 177.00 177.72 1khn s ALA 283 N -2.13 3.11 0.31 8.56 0.00 -1.26 -4.78 121.76 125.58 1khn s ALA 283 Ca 0.68 1.44 0.08 0.00 0.00 0.00 0.00 51.96 54.15 1khn s ALA 283 Cb -0.19 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1khn s ALA 283 CO 0.31 -1.27 0.23 0.14 0.00 0.00 0.00 175.76 175.16 1khn s VAL 284 N -1.23 3.68 -0.09 0.00 -7.23 0.54 -4.82 120.40 111.25 1khn s VAL 284 Ca 0.64 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1khn s VAL 284 Cb -0.43 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.35 1khn s VAL 284 CO 0.54 -0.23 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.15 1khn s THR 285 N -2.28 0.86 0.59 5.32 2.01 -1.26 -1.16 115.64 119.71 1khn s THR 285 Ca 0.38 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 1khn s THR 285 Cb -0.06 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1khn s THR 285 CO 0.25 0.33 1.22 0.00 -0.69 0.00 0.00 174.62 175.73 1khn s THR 287 N -1.56 1.07 0.86 0.00 -4.23 -0.89 -4.96 115.64 105.93 1khn s THR 287 Ca 0.77 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 59.37 1khn s THR 287 Cb -0.31 -1.56 0.11 0.00 1.34 0.00 0.00 72.50 72.08 1khn s THR 287 CO 0.34 -0.61 1.11 -2.84 -0.54 0.00 0.00 174.62 172.08 1khn s PRO 288 N -3.12 1.50 -0.40 3.99 0.02 -1.26 0.26 135.00 135.98 1khn s PRO 288 Ca 0.10 1.22 -0.27 0.00 0.02 0.00 0.00 61.00 62.07 1khn s PRO 288 Cb -0.01 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.72 1khn s PRO 288 CO 0.00 -2.19 1.00 1.21 -0.33 0.00 0.00 177.00 176.70 1khn s ASN 289 N -3.11 6.68 0.56 2.53 3.04 0.98 -4.26 114.94 121.35 1khn s ASN 289 Ca 0.64 0.55 0.32 0.00 0.04 0.00 0.00 52.86 54.41 1khn s ASN 289 Cb -0.20 -2.50 1.60 0.00 -1.54 0.00 0.00 41.25 38.62 1khn s ASN 289 CO 0.57 -0.99 2.10 1.55 -3.04 0.00 0.00 177.10 177.29 1khn h PRO 290 N 8.70 0.00 -0.11 0.43 0.13 -1.92 -3.11 132.00 136.12 1khn h PRO 290 Ca -0.23 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.68 1khn h PRO 290 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 1khn h PRO 290 CO 1.03 0.07 -0.81 1.96 -0.23 0.00 0.00 178.00 180.03 1khn h GLN 291 N 0.00 0.65 -6.11 0.86 7.50 -1.95 -3.44 115.11 112.62 1khn h GLN 291 Ca -0.00 -0.56 -0.57 0.00 0.50 0.00 0.00 58.65 58.02 1khn h GLN 291 Cb 0.34 0.12 0.01 0.00 0.05 0.00 0.00 27.48 28.00 1khn h GLN 291 CO 0.01 1.17 1.40 -2.13 -1.50 0.00 0.00 178.83 177.78 1khn n ARG 292 N -3.88 2.24 -1.47 1.46 0.63 -1.18 -4.95 116.66 109.52 1khn n ARG 292 Ca -0.07 0.70 -0.34 0.00 -0.92 0.00 0.00 57.85 57.23 1khn n ARG 292 Cb 0.76 -3.13 0.09 0.00 0.45 0.00 0.00 32.46 30.62 1khn n ARG 292 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1khn s ASN 293 N 6.94 4.32 0.00 6.15 0.02 -1.26 -4.91 114.94 126.20 1khn s ASN 293 Ca 0.97 2.28 0.23 0.00 -1.02 0.00 0.00 52.86 55.32 1khn s ASN 293 Cb -0.39 -2.58 1.00 0.00 0.02 0.00 0.00 41.25 39.30 1khn s ASN 293 CO 0.38 -2.18 1.74 0.47 0.02 0.00 0.00 177.10 177.53 1khn n ASP 294 N -2.72 0.00 0.09 -1.22 8.00 -1.26 -3.10 116.55 116.35 1khn n ASP 294 Ca 0.13 0.44 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1khn n ASP 294 Cb 0.51 -0.48 0.21 0.00 -0.02 0.00 0.00 41.12 41.34 1khn n ASP 294 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1khn h SER 295 N 0.00 0.00 -3.26 -2.24 0.02 -2.01 -3.45 113.55 102.61 1khn h SER 295 Ca 0.00 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.25 1khn h SER 295 Cb 0.37 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 1khn h SER 295 CO 0.00 0.06 0.63 -0.69 -1.14 0.00 0.00 176.83 175.69 1khn s VAL 296 N -3.18 4.71 1.00 2.27 1.01 -1.18 -0.34 120.40 124.69 1khn s VAL 296 Ca 0.07 1.66 -0.13 0.00 0.00 0.00 0.00 61.98 63.58 1khn s VAL 296 Cb 0.12 -4.24 0.13 0.00 0.00 0.00 0.00 36.38 32.38 1khn s VAL 296 CO 0.69 -0.23 0.69 -2.65 0.00 0.00 0.00 175.10 173.60 1khn n PRO 297 N 6.32 -0.92 -4.13 2.72 -0.02 -1.26 -4.91 135.00 132.81 1khn n PRO 297 Ca 0.08 -0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.08 1khn n PRO 297 Cb 0.47 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1khn n PRO 297 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1khn s THR 298 N -2.45 4.21 0.34 3.45 -4.23 -1.26 -4.95 115.64 110.75 1khn s THR 298 Ca 0.62 -1.20 0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1khn s THR 298 Cb -0.21 -3.14 0.33 0.00 1.34 0.00 0.00 72.50 70.82 1khn s THR 298 CO 0.64 -0.11 1.73 0.25 -0.54 0.00 0.00 174.62 176.60 1khn h LEU 299 N 2.53 0.62 -0.85 4.79 5.85 -1.95 0.42 115.31 126.72 1khn h LEU 299 Ca -0.47 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.25 1khn h LEU 299 Cb 1.20 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1khn h LEU 299 CO 0.61 0.09 -0.51 0.00 -0.34 0.00 0.00 178.44 178.30 1khn h ALA 300 N 1.71 1.03 -0.18 1.25 0.00 -1.87 0.21 119.26 121.41 1khn h ALA 300 Ca 0.64 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1khn h ALA 300 Cb 1.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1khn h ALA 300 CO -0.44 0.65 -0.16 1.96 0.00 0.00 0.00 179.25 181.27 1khn h GLN 301 N 0.14 0.43 -0.54 0.00 4.20 -0.61 -0.97 115.11 117.76 1khn h GLN 301 Ca 0.00 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1khn h GLN 301 Cb 0.94 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1khn h GLN 301 CO 0.07 0.78 -0.08 0.52 -0.67 0.00 0.00 178.83 179.45 1khn h MET 302 N 0.09 1.01 -0.53 1.46 2.86 -0.97 -0.86 114.93 117.99 1khn h MET 302 Ca 0.03 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1khn h MET 302 Cb 0.68 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1khn h MET 302 CO 0.04 1.05 0.14 1.15 1.06 0.00 0.00 176.91 180.35 1khn h THR 303 N 0.89 1.22 -0.02 2.22 2.02 -0.58 -1.44 112.91 117.22 1khn h THR 303 Ca 0.14 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1khn h THR 303 Cb 0.65 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1khn h THR 303 CO 0.04 0.29 -0.02 -0.78 0.37 0.00 0.00 175.52 175.43 1khn h ASP 304 N 0.79 0.06 -0.66 4.18 -0.00 -0.78 -2.19 116.42 117.81 1khn h ASP 304 Ca 0.18 -0.44 -0.04 0.00 -0.00 0.00 0.00 57.03 56.72 1khn h ASP 304 Cb 0.27 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.56 1khn h ASP 304 CO -0.00 0.49 0.24 0.50 -0.00 0.00 0.00 179.24 180.46 1khn h LYS 305 N -0.38 1.01 0.51 0.28 1.63 -1.09 -1.78 116.57 116.75 1khn h LYS 305 Ca 0.00 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1khn h LYS 305 Cb 0.47 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1khn h LYS 305 CO 0.00 0.86 -0.49 0.00 -3.45 0.00 0.00 179.45 176.38 1khn h ALA 306 N 1.10 -1.11 -0.91 5.00 0.00 -1.26 -0.48 119.26 121.59 1khn h ALA 306 Ca 0.22 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1khn h ALA 306 Cb 0.25 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1khn h ALA 306 CO -0.01 -1.16 0.59 0.82 0.00 0.00 0.00 179.25 179.49 1khn h ILE 307 N -1.00 0.71 0.55 0.00 2.04 -1.29 -0.00 117.51 118.52 1khn h ILE 307 Ca -0.06 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1khn h ILE 307 Cb 0.86 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1khn h ILE 307 CO -0.05 0.09 -0.26 -0.08 0.00 0.00 0.00 178.15 177.85 1khn h GLU 308 N 0.51 -0.71 -0.39 2.37 4.81 -0.36 -1.43 114.58 119.37 1khn h GLU 308 Ca 0.48 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.72 1khn h GLU 308 Cb 1.05 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1khn h GLU 308 CO -0.21 -0.42 0.08 -0.07 -0.73 0.00 0.00 179.01 177.65 1khn h LEU 309 N -0.88 0.61 -0.68 1.64 3.38 -0.45 -3.26 115.31 115.66 1khn h LEU 309 Ca -0.08 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1khn h LEU 309 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1khn h LEU 309 CO 0.12 0.70 -0.16 -0.07 0.09 0.00 0.00 178.44 179.12 1khn h LEU 310 N 0.49 0.86 0.00 1.67 3.38 -1.09 -2.96 115.31 117.66 1khn h LEU 310 Ca 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1khn h LEU 310 Cb 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1khn h LEU 310 CO 0.01 1.02 0.00 -1.54 0.09 0.00 0.00 178.44 178.01 1khn n SER 311 N -4.13 0.00 0.08 -0.43 3.41 -0.54 -1.98 113.62 110.03 1khn n SER 311 Ca 0.01 -0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.62 1khn n SER 311 Cb 0.41 -0.08 0.41 0.00 -0.26 0.00 0.00 64.21 64.68 1khn n SER 311 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1khn n LYS 312 N -1.08 0.22 -2.84 4.33 5.02 -1.12 -4.74 118.16 117.95 1khn n LYS 312 Ca 0.05 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 1khn n LYS 312 Cb 0.04 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.27 1khn n LYS 312 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1khn s ASN 313 N -4.24 6.90 0.28 4.39 3.84 -0.84 -4.93 114.94 120.34 1khn s ASN 313 Ca 0.11 1.12 0.24 0.00 0.21 0.00 0.00 52.86 54.53 1khn s ASN 313 Cb 0.14 -2.46 1.02 0.00 -0.55 0.00 0.00 41.25 39.40 1khn s ASN 313 CO 0.60 -0.54 1.71 -0.62 -2.79 0.00 0.00 177.10 175.46 1khn n GLU 314 N 6.04 0.19 0.08 0.43 -0.58 -1.26 -2.08 120.64 123.47 1khn n GLU 314 Ca 0.07 0.46 -0.12 0.00 -0.42 0.00 0.00 57.16 57.15 1khn n GLU 314 Cb 0.47 -1.90 -0.13 0.00 -0.57 0.00 0.00 31.44 29.31 1khn n GLU 314 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1khn h LYS 315 N 0.00 0.15 0.00 3.49 6.56 -1.92 -3.50 116.57 121.36 1khn h LYS 315 Ca 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1khn h LYS 315 Cb 0.32 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1khn h LYS 315 CO 0.00 1.12 0.00 0.41 -2.06 0.00 0.00 179.45 178.92 1khn n GLY 316 N 1.46 0.59 3.54 3.86 0.00 -0.88 -4.88 105.19 108.89 1khn n GLY 316 Ca -0.05 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 1khn n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1khn s PHE 317 N -0.96 0.03 -0.03 1.61 -0.12 -1.23 -1.58 117.98 115.69 1khn s PHE 317 Ca 0.00 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 1khn s PHE 317 Cb 0.00 0.33 0.02 0.00 -0.63 0.00 0.00 43.02 42.74 1khn s PHE 317 CO 0.00 -0.94 -0.04 0.12 -0.05 0.00 0.00 175.22 174.31 1khn s PHE 318 N -3.92 0.61 -0.02 3.49 5.36 -0.20 -2.10 117.98 121.21 1khn s PHE 318 Ca 0.13 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 1khn s PHE 318 Cb -0.01 -0.55 0.02 0.00 -0.34 0.00 0.00 43.02 42.13 1khn s PHE 318 CO 0.01 -0.15 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.45 1khn s LEU 319 N 0.76 1.47 -0.15 6.12 2.96 -0.52 -0.93 118.68 128.39 1khn s LEU 319 Ca -0.09 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1khn s LEU 319 Cb -0.13 -0.17 0.01 0.00 0.50 0.00 0.00 46.19 46.40 1khn s LEU 319 CO -0.00 -0.05 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.19 1khn s GLN 320 N 0.63 3.04 -0.07 1.98 0.74 -0.87 -1.00 119.66 124.10 1khn s GLN 320 Ca -0.06 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.54 1khn s GLN 320 Cb -0.09 -2.50 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 1khn s GLN 320 CO -0.01 -0.07 -0.14 0.08 -0.55 0.00 0.00 175.29 174.60 1khn s VAL 321 N 0.96 3.06 -0.08 1.34 1.01 0.16 -0.57 120.40 126.28 1khn s VAL 321 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1khn s VAL 321 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1khn s VAL 321 CO -0.05 0.57 -0.12 -0.70 0.00 0.00 0.00 175.10 174.80 1khn s GLU 322 N -0.41 1.77 -0.87 2.72 2.12 -0.55 -0.12 118.70 123.37 1khn s GLU 322 Ca 0.05 -0.42 -0.16 0.00 0.36 0.00 0.00 54.97 54.80 1khn s GLU 322 Cb -0.12 -1.52 0.18 0.00 0.26 0.00 0.00 34.13 32.93 1khn s GLU 322 CO 0.02 -0.03 0.91 0.20 -0.54 0.00 0.00 175.26 175.82 1khn s GLY 323 N 0.87 2.35 -0.03 -1.50 0.00 0.72 -2.75 107.32 106.99 1khn s GLY 323 Ca -0.10 -3.08 -0.22 0.00 0.00 0.00 0.00 44.72 41.32 1khn s GLY 323 CO 0.01 1.57 0.98 0.00 0.00 0.00 0.00 173.10 175.66 1khn h ALA 324 N 8.23 -0.35 0.00 3.20 0.00 -1.90 -1.30 119.26 127.15 1khn h ALA 324 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1khn h ALA 324 Cb 1.03 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1khn h ALA 324 CO 0.90 -0.43 0.00 0.43 0.00 0.00 0.00 179.25 180.15 1khn n SER 325 N -5.04 0.00 -0.12 0.00 7.64 -1.26 -2.42 113.62 112.43 1khn n SER 325 Ca -0.08 -0.17 -0.09 0.00 1.01 0.00 0.00 58.87 59.54 1khn n SER 325 Cb 0.26 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 1khn n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1khn h ILE 326 N 0.00 1.16 -0.18 0.44 2.04 -1.75 -0.76 117.51 118.46 1khn h ILE 326 Ca 0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1khn h ILE 326 Cb 0.00 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1khn h ILE 326 CO 0.00 0.17 0.03 -0.78 0.00 0.00 0.00 178.15 177.57 1khn h ASP 327 N 0.47 0.28 -0.38 1.72 3.58 -0.18 -0.98 116.42 120.93 1khn h ASP 327 Ca 0.13 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 1khn h ASP 327 Cb 0.09 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1khn h ASP 327 CO -0.02 0.46 0.03 0.11 -2.88 0.00 0.00 179.24 176.94 1khn h LYS 328 N 0.09 0.74 0.00 0.28 1.57 -1.64 0.20 116.57 117.81 1khn h LYS 328 Ca 0.05 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.46 1khn h LYS 328 Cb 0.30 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1khn h LYS 328 CO 0.00 0.74 -0.87 1.96 -0.57 0.00 0.00 179.45 180.71 1khn h GLN 329 N 0.70 0.13 -0.28 3.15 1.08 -1.11 -0.01 115.11 118.78 1khn h GLN 329 Ca 0.14 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1khn h GLN 329 Cb 0.39 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1khn h GLN 329 CO 0.01 0.91 -0.24 -0.97 -0.95 0.00 0.00 178.83 177.60 1khn h ASN 330 N 0.07 0.53 -0.26 1.46 -0.73 -0.81 -0.21 115.58 115.63 1khn h ASN 330 Ca -0.03 -0.18 -0.10 0.00 1.87 0.00 0.00 56.30 57.86 1khn h ASN 330 Cb 1.50 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.94 1khn h ASN 330 CO 0.13 0.77 -0.23 0.45 -0.37 0.00 0.00 177.43 178.18 1khn h HIS 331 N 0.47 0.72 0.00 0.67 3.86 -0.74 -3.08 115.15 117.05 1khn h HIS 331 Ca 0.07 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1khn h HIS 331 Cb 0.67 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1khn h HIS 331 CO 0.02 0.91 0.00 0.00 0.86 0.00 0.00 177.93 179.73 1khn n ALA 332 N -2.47 1.81 -3.34 2.45 0.00 -0.04 -1.54 120.51 117.39 1khn n ALA 332 Ca -0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1khn n ALA 332 Cb 0.43 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.69 1khn n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1khn n ALA 333 N -1.39 -1.40 -3.78 0.00 0.00 -0.19 -4.76 120.51 109.00 1khn n ALA 333 Ca 0.06 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1khn n ALA 333 Cb 0.16 -3.58 -0.13 0.00 0.00 0.00 0.00 19.45 15.90 1khn n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1khn s ASN 334 N -3.68 3.83 0.27 0.00 2.47 -0.63 0.32 114.94 117.51 1khn s ASN 334 Ca 0.27 -2.91 -0.05 0.00 0.42 0.00 0.00 52.86 50.60 1khn s ASN 334 Cb -0.12 -1.23 0.53 0.00 -1.45 0.00 0.00 41.25 38.99 1khn s ASN 334 CO 0.62 -0.23 1.61 -0.65 -3.72 0.00 0.00 177.10 174.73 1khn h PRO 335 N 6.43 0.06 -0.34 0.43 0.11 -1.84 -1.53 132.00 135.32 1khn h PRO 335 Ca 0.01 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1khn h PRO 335 Cb 0.89 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1khn h PRO 335 CO 0.56 0.04 0.14 0.00 -0.21 0.00 0.00 178.00 178.52 1khn h GLY 337 N 0.40 0.71 0.50 0.00 0.00 -1.54 -0.77 103.07 102.37 1khn h GLY 337 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1khn h GLY 337 CO -0.01 0.49 -0.35 -1.61 0.00 0.00 0.00 176.54 175.06 1khn h GLN 338 N 0.47 -0.61 -0.72 4.80 4.15 -1.16 -1.28 115.11 120.76 1khn h GLN 338 Ca 0.10 0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1khn h GLN 338 Cb 0.48 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1khn h GLN 338 CO 0.02 -0.41 0.21 0.82 -1.93 0.00 0.00 178.83 177.54 1khn h ILE 339 N -0.64 1.26 -0.33 2.39 2.04 -0.79 -1.51 117.51 119.93 1khn h ILE 339 Ca 0.01 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1khn h ILE 339 Cb 0.62 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1khn h ILE 339 CO -0.14 0.36 0.10 1.23 0.00 0.00 0.00 178.15 179.69 1khn h GLY 340 N 1.10 0.50 1.80 5.37 0.00 -0.94 0.16 103.07 111.05 1khn h GLY 340 Ca 0.23 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 1khn h GLY 340 CO -0.01 0.23 -0.71 0.83 0.00 0.00 0.00 176.54 176.89 1khn h GLU 341 N 0.46 0.20 -0.08 4.80 4.39 -0.68 0.12 114.58 123.80 1khn h GLU 341 Ca 0.11 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1khn h GLU 341 Cb 0.14 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1khn h GLU 341 CO -0.01 0.82 -0.66 1.15 -1.16 0.00 0.00 179.01 179.15 1khn h THR 342 N 0.13 1.38 -0.30 1.13 2.02 -0.29 -2.21 112.91 114.79 1khn h THR 342 Ca -0.02 -2.07 -0.14 0.00 0.77 0.00 0.00 66.41 64.95 1khn h THR 342 Cb 1.25 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1khn h THR 342 CO 0.11 0.62 -0.39 0.58 0.37 0.00 0.00 175.52 176.80 1khn h VAL 343 N 0.24 1.29 -0.33 3.16 2.07 -0.79 -2.40 116.25 119.47 1khn h VAL 343 Ca -0.02 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1khn h VAL 343 Cb 1.21 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1khn h VAL 343 CO 0.11 0.50 0.21 -0.78 0.02 0.00 0.00 177.57 177.64 1khn h ASP 344 N 0.58 0.39 -0.66 0.57 3.58 -0.51 -2.78 116.42 117.59 1khn h ASP 344 Ca 0.05 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1khn h ASP 344 Cb 0.93 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 1khn h ASP 344 CO 0.08 0.30 0.12 0.25 -2.88 0.00 0.00 179.24 177.11 1khn h LEU 345 N 0.45 1.04 -0.69 2.28 5.85 -1.30 -2.83 115.31 120.10 1khn h LEU 345 Ca 0.12 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.72 1khn h LEU 345 Cb -0.03 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.64 1khn h LEU 345 CO -0.03 1.02 0.28 -0.78 -0.34 0.00 0.00 178.44 178.60 1khn h ASP 346 N 1.02 0.30 -0.73 1.25 3.58 -1.16 0.16 116.42 120.84 1khn h ASP 346 Ca 0.21 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.75 1khn h ASP 346 Cb 0.41 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 1khn h ASP 346 CO 0.01 0.15 0.49 -0.33 -2.88 0.00 0.00 179.24 176.68 1khn h GLU 347 N 0.47 0.96 -0.39 0.28 5.08 -1.32 0.11 114.58 119.76 1khn h GLU 347 Ca 0.36 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1khn h GLU 347 Cb 0.47 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1khn h GLU 347 CO -0.33 0.63 -0.08 0.00 -1.00 0.00 0.00 179.01 178.23 1khn h ALA 348 N 1.55 0.54 -0.81 3.43 0.00 -1.00 -2.18 119.26 120.78 1khn h ALA 348 Ca 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1khn h ALA 348 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1khn h ALA 348 CO -0.06 0.39 0.44 0.28 0.00 0.00 0.00 179.25 180.30 1khn h VAL 349 N 0.56 1.24 -0.36 0.00 2.07 0.24 -1.34 116.25 118.66 1khn h VAL 349 Ca 0.10 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1khn h VAL 349 Cb 0.59 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1khn h VAL 349 CO 0.04 0.27 0.16 1.56 0.02 0.00 0.00 177.57 179.61 1khn h GLN 350 N 1.13 0.52 -0.50 1.57 4.20 -0.65 -0.37 115.11 121.01 1khn h GLN 350 Ca 0.29 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1khn h GLN 350 Cb 0.02 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1khn h GLN 350 CO -0.05 0.48 0.33 0.00 -0.67 0.00 0.00 178.83 178.93 1khn h ARG 351 N 0.43 0.55 0.03 1.46 2.47 -0.68 -0.81 114.38 117.83 1khn h ARG 351 Ca 0.12 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1khn h ARG 351 Cb 0.14 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1khn h ARG 351 CO -0.01 0.36 -0.01 0.00 0.56 0.00 0.00 179.97 180.87 1khn h ALA 352 N 1.71 -0.04 -0.75 0.04 0.00 -0.71 -2.95 119.26 116.57 1khn h ALA 352 Ca 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1khn h ALA 352 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1khn h ALA 352 CO -0.05 -0.27 0.35 -0.07 0.00 0.00 0.00 179.25 179.21 1khn h LEU 353 N -0.54 1.00 -0.77 0.00 4.07 -0.75 -0.80 115.31 117.52 1khn h LEU 353 Ca -0.00 -0.14 0.07 0.00 0.08 0.00 0.00 57.88 57.88 1khn h LEU 353 Cb 0.51 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 1khn h LEU 353 CO 0.01 0.86 0.44 -0.33 -1.08 0.00 0.00 178.44 178.34 1khn h GLU 354 N 1.06 0.77 0.06 1.13 5.08 -1.18 0.27 114.58 121.77 1khn h GLU 354 Ca 0.26 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1khn h GLU 354 Cb 0.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1khn h GLU 354 CO -0.03 0.51 -0.03 0.35 -1.00 0.00 0.00 179.01 178.81 1khn h PHE 355 N 0.79 -0.07 -0.70 4.33 3.57 -1.33 -2.79 116.94 120.73 1khn h PHE 355 Ca 0.35 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.98 1khn h PHE 355 Cb 0.24 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.91 1khn h PHE 355 CO -0.06 0.40 0.23 0.00 -2.23 0.00 0.00 178.31 176.65 1khn h ALA 356 N 0.32 0.93 -0.32 2.41 0.00 -0.53 0.94 119.26 123.01 1khn h ALA 356 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1khn h ALA 356 Cb 0.50 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1khn h ALA 356 CO 0.01 -0.25 0.07 0.87 0.00 0.00 0.00 179.25 179.95 1khn h LYS 357 N 0.37 0.52 0.52 0.00 1.57 -0.54 0.27 116.57 119.27 1khn h LYS 357 Ca 0.38 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1khn h LYS 357 Cb 0.58 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1khn h LYS 357 CO -0.41 0.59 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.59 1khn h LYS 358 N 0.35 -0.68 0.62 3.15 3.64 -1.05 -3.30 116.57 119.31 1khn h LYS 358 Ca 0.10 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1khn h LYS 358 Cb 0.32 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1khn h LYS 358 CO 0.00 -0.38 -0.40 1.49 -2.27 0.00 0.00 179.45 177.89 1khn h GLU 359 N -0.92 -0.94 0.00 1.90 4.22 -0.86 -3.48 114.58 114.50 1khn h GLU 359 Ca -0.07 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1khn h GLU 359 Cb 0.61 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1khn h GLU 359 CO 0.12 -0.63 0.00 0.41 -2.18 0.00 0.00 179.01 176.73 1khn n GLY 360 N -1.53 1.20 0.26 1.92 0.00 0.94 -4.88 105.19 103.09 1khn n GLY 360 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1khn n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1khn n ASN 361 N 0.00 2.22 -4.83 1.61 5.03 -1.26 -4.81 115.26 113.22 1khn n ASN 361 Ca 0.00 -1.86 -0.35 0.00 0.87 0.00 0.00 54.58 53.23 1khn n ASN 361 Cb 0.00 -0.08 -0.06 0.00 -1.02 0.00 0.00 39.78 38.62 1khn n ASN 361 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1khn s THR 362 N -0.90 4.73 -0.16 3.41 2.01 -1.26 -1.17 115.64 122.31 1khn s THR 362 Ca 0.09 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 63.10 1khn s THR 362 Cb 0.05 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1khn s THR 362 CO 0.07 0.18 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.83 1khn s LEU 363 N -2.08 2.65 -0.09 4.42 2.96 -1.10 -3.94 118.68 121.50 1khn s LEU 363 Ca 0.42 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1khn s LEU 363 Cb -0.15 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1khn s LEU 363 CO 0.20 0.10 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.45 1khn s VAL 364 N 0.73 2.53 -0.04 1.68 1.01 0.08 -0.95 120.40 125.44 1khn s VAL 364 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1khn s VAL 364 Cb -0.15 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1khn s VAL 364 CO 0.01 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 174.91 1khn s ILE 365 N 0.05 1.15 -0.07 2.22 1.01 -0.57 -1.31 121.20 123.68 1khn s ILE 365 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1khn s ILE 365 Cb -0.15 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1khn s ILE 365 CO 0.05 0.35 -0.12 -0.69 0.00 0.00 0.00 174.94 174.52 1khn s VAL 366 N 0.27 1.18 0.00 2.92 1.01 0.14 -0.72 120.40 125.19 1khn s VAL 366 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1khn s VAL 366 Cb -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1khn s VAL 366 CO 0.02 0.37 0.00 1.07 0.00 0.00 0.00 175.10 176.56 1khn n THR 367 N 3.90 0.00 -4.28 3.92 5.66 -0.81 -1.72 114.28 120.94 1khn n THR 367 Ca -0.22 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.62 1khn n THR 367 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1khn n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1khn s ALA 368 N -1.00 1.65 -0.24 1.79 0.00 -1.26 0.35 121.76 123.05 1khn s ALA 368 Ca 0.00 -1.55 0.19 0.00 0.00 0.00 0.00 51.96 50.60 1khn s ALA 368 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 23.12 23.35 1khn s ALA 368 CO 0.00 -0.04 1.53 0.38 0.00 0.00 0.00 175.76 177.63 1khn h ASP 369 N 2.71 0.00 -5.61 0.00 -0.00 -1.93 -3.48 116.42 108.11 1khn h ASP 369 Ca -0.37 0.00 0.26 0.00 -0.00 0.00 0.00 57.03 56.92 1khn h ASP 369 Cb 1.20 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 40.45 1khn h ASP 369 CO 0.63 0.30 0.72 -1.38 -0.00 0.00 0.00 179.24 179.51 1khn s HIS 370 N -3.10 -0.02 0.59 4.15 -3.43 -1.26 -4.88 115.29 107.35 1khn s HIS 370 Ca 0.05 -0.20 -0.04 0.00 -0.80 0.00 0.00 55.06 54.07 1khn s HIS 370 Cb 0.07 0.60 0.03 0.00 -1.43 0.00 0.00 32.58 31.85 1khn s HIS 370 CO 0.71 -0.54 0.87 0.00 -2.00 0.00 0.00 174.74 173.78 1khn s ALA 371 N -2.46 3.46 0.00 -1.38 0.00 -1.18 -3.75 121.76 116.45 1khn s ALA 371 Ca 0.19 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1khn s ALA 371 Cb 0.01 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1khn s ALA 371 CO 0.00 -0.87 0.00 1.58 0.00 0.00 0.00 175.76 176.47 1khn n HIS 372 N -2.55 0.00 -0.03 0.00 -0.00 -1.26 -1.26 115.22 110.12 1khn n HIS 372 Ca 0.06 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.09 1khn n HIS 372 Cb 0.59 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.36 1khn n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1khn h ALA 373 N 1.00 0.10 -1.48 1.57 0.00 -1.80 -3.37 119.26 115.28 1khn h ALA 373 Ca 0.00 -0.43 -0.71 0.00 0.00 0.00 0.00 54.91 53.76 1khn h ALA 373 Cb 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.84 1khn h ALA 373 CO 0.00 0.14 0.36 -1.13 0.00 0.00 0.00 179.25 178.61 1khn n SER 374 N -4.47 1.20 -4.11 0.00 3.41 -1.26 -4.65 113.62 103.74 1khn n SER 374 Ca -0.09 1.13 -0.21 0.00 -0.26 0.00 0.00 58.87 59.44 1khn n SER 374 Cb 0.48 -1.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.18 1khn n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1khn s GLN 375 N 0.44 1.01 -0.34 4.33 -0.21 0.68 -4.78 119.66 120.79 1khn s GLN 375 Ca 0.87 -0.56 -0.16 0.00 0.02 0.00 0.00 55.36 55.53 1khn s GLN 375 Cb -1.05 -0.99 -0.01 0.00 1.00 0.00 0.00 33.01 31.96 1khn s GLN 375 CO 0.50 0.26 0.39 0.42 -2.12 0.00 0.00 175.29 174.75 1khn s ILE 376 N -0.49 5.14 0.29 1.08 1.01 -1.26 0.73 121.20 127.69 1khn s ILE 376 Ca 0.04 0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.96 1khn s ILE 376 Cb -0.06 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1khn s ILE 376 CO 0.00 -0.09 -0.18 0.68 0.00 0.00 0.00 174.94 175.35 1khn s VAL 377 N 2.10 2.41 0.44 2.92 -7.23 -0.01 -4.98 120.40 116.04 1khn s VAL 377 Ca 0.13 -2.37 -0.24 0.00 -1.81 0.00 0.00 61.98 57.69 1khn s VAL 377 Cb -0.16 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 1khn s VAL 377 CO 0.12 -0.38 1.11 0.00 -0.31 0.00 0.00 175.10 175.64 1khn n ALA 378 N -0.64 0.60 0.18 1.32 0.00 -1.26 -3.65 120.51 117.06 1khn n ALA 378 Ca -0.05 0.22 0.17 0.00 0.00 0.00 0.00 53.44 53.79 1khn n ALA 378 Cb 0.61 -2.15 0.80 0.00 0.00 0.00 0.00 19.45 18.70 1khn n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1khn h PRO 379 N 1.65 0.00 -0.55 0.00 0.11 -1.92 -2.32 132.00 128.97 1khn h PRO 379 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1khn h PRO 379 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1khn h PRO 379 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1khn n ASP 380 N -3.88 3.01 -4.68 -2.05 5.75 -1.26 -4.82 116.55 108.63 1khn n ASP 380 Ca 0.03 -2.06 -0.42 0.00 -0.01 0.00 0.00 54.79 52.33 1khn n ASP 380 Cb 0.37 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 1khn n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1khn s THR 381 N -1.37 2.93 -1.05 2.12 2.01 -0.88 -4.94 115.64 114.46 1khn s THR 381 Ca 0.36 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1khn s THR 381 Cb 0.20 -3.14 0.26 0.00 0.01 0.00 0.00 72.50 69.83 1khn s THR 381 CO 0.23 -0.01 1.04 -0.75 -0.69 0.00 0.00 174.62 174.44 1khn s LYS 382 N 3.45 4.06 0.27 4.92 2.20 -1.26 -4.84 119.74 128.55 1khn s LYS 382 Ca 0.81 -3.04 -0.10 0.00 -0.36 0.00 0.00 55.97 53.29 1khn s LYS 382 Cb -0.42 -4.53 -0.07 0.00 -1.51 0.00 0.00 37.83 31.30 1khn s LYS 382 CO 0.36 -1.26 0.60 0.00 -0.36 0.00 0.00 175.35 174.69 1khn s ALA 383 N -0.90 3.52 -0.62 3.13 0.00 -1.26 -5.01 121.76 120.63 1khn s ALA 383 Ca 0.28 -0.28 0.25 0.00 0.00 0.00 0.00 51.96 52.21 1khn s ALA 383 Cb -0.10 -2.48 0.58 0.00 0.00 0.00 0.00 23.12 21.12 1khn s ALA 383 CO -0.08 0.38 1.62 -1.00 0.00 0.00 0.00 175.76 176.68 1khn h PRO 384 N 2.21 0.00 0.00 0.00 0.13 -1.97 -3.40 132.00 128.97 1khn h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1khn h PRO 384 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1khn h PRO 384 CO 0.68 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1khn n GLY 385 N 1.25 1.85 3.40 1.56 0.00 -1.26 -4.99 105.19 107.00 1khn n GLY 385 Ca 0.05 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1khn n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1khn s LEU 386 N 0.00 4.50 0.23 0.99 1.43 -0.66 -4.13 118.68 121.04 1khn s LEU 386 Ca 0.00 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 1khn s LEU 386 Cb 0.00 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1khn s LEU 386 CO 0.00 -0.32 0.02 0.42 0.23 0.00 0.00 176.35 176.70 1khn s THR 387 N 1.57 3.67 -0.29 5.49 -4.23 0.53 -1.45 115.64 120.94 1khn s THR 387 Ca 0.03 -1.67 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 1khn s THR 387 Cb -0.18 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.85 1khn s THR 387 CO 0.06 -0.28 0.80 -1.58 -0.54 0.00 0.00 174.62 173.09 1khn s GLN 388 N -3.43 0.53 -0.01 3.99 0.74 -0.85 -1.29 119.66 119.34 1khn s GLN 388 Ca 0.30 1.06 -0.20 0.00 0.05 0.00 0.00 55.36 56.57 1khn s GLN 388 Cb -0.08 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.31 1khn s GLN 388 CO 0.20 -0.14 0.56 0.00 -0.55 0.00 0.00 175.29 175.37 1khn s ALA 389 N 1.96 3.51 0.17 1.58 0.00 -1.26 -1.84 121.76 125.89 1khn s ALA 389 Ca -0.08 -0.02 0.09 0.00 0.00 0.00 0.00 51.96 51.96 1khn s ALA 389 Cb -0.06 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1khn s ALA 389 CO -0.18 0.20 -0.20 -0.51 0.00 0.00 0.00 175.76 175.06 1khn s LEU 390 N -0.26 2.42 -0.55 0.00 1.02 0.76 -0.34 118.68 121.73 1khn s LEU 390 Ca 0.30 -0.85 -0.19 0.00 0.02 0.00 0.00 54.13 53.41 1khn s LEU 390 Cb -0.18 -0.93 0.08 0.00 0.02 0.00 0.00 46.19 45.18 1khn s LEU 390 CO 0.16 0.02 0.67 0.20 0.02 0.00 0.00 176.35 177.42 1khn s ASN 391 N -2.59 6.20 1.10 2.29 0.01 -0.31 -1.05 114.94 120.58 1khn s ASN 391 Ca 0.16 -1.21 -0.14 0.00 -0.71 0.00 0.00 52.86 50.96 1khn s ASN 391 Cb -0.07 -2.29 0.21 0.00 0.41 0.00 0.00 41.25 39.50 1khn s ASN 391 CO 0.07 -1.01 0.94 0.35 -1.51 0.00 0.00 177.10 175.94 1khn n THR 392 N 5.57 0.00 0.24 1.60 -2.24 -0.06 -4.87 114.28 114.51 1khn n THR 392 Ca -0.08 -0.56 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 1khn n THR 392 Cb 0.44 -1.40 0.42 0.00 -2.10 0.00 0.00 70.33 67.69 1khn n THR 392 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1khn h LYS 393 N 0.00 0.00 0.00 -0.78 3.64 -1.58 -2.62 116.57 115.23 1khn h LYS 393 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1khn h LYS 393 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1khn h LYS 393 CO 0.22 0.09 0.00 -0.25 -2.27 0.00 0.00 179.45 177.24 1khn n ASP 394 N -3.17 0.00 -0.04 4.20 8.00 -1.26 -4.82 116.55 119.46 1khn n ASP 394 Ca 0.02 -0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.35 1khn n ASP 394 Cb 0.44 -0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1khn n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1khn n GLY 395 N 0.82 0.45 3.97 0.44 0.00 -0.99 -5.00 105.19 104.88 1khn n GLY 395 Ca 0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1khn n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khn s ALA 396 N -1.87 4.06 -0.14 4.61 0.00 -1.26 -4.88 121.76 122.28 1khn s ALA 396 Ca 0.00 -1.37 -0.08 0.00 0.00 0.00 0.00 51.96 50.50 1khn s ALA 396 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1khn s ALA 396 CO 0.00 0.10 0.16 0.08 0.00 0.00 0.00 175.76 176.10 1khn s VAL 397 N -2.10 5.45 -0.10 0.00 1.01 -1.26 -0.88 120.40 122.52 1khn s VAL 397 Ca 0.40 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1khn s VAL 397 Cb -0.09 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1khn s VAL 397 CO 0.30 0.56 -0.22 -0.32 0.00 0.00 0.00 175.10 175.42 1khn s MET 398 N -0.61 2.80 -0.18 2.72 0.00 -0.21 -4.89 119.30 118.93 1khn s MET 398 Ca 0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 55.69 54.97 1khn s MET 398 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 34.83 32.51 1khn s MET 398 CO 0.03 0.12 0.05 0.08 0.00 0.00 0.00 175.02 175.30 1khn s VAL 399 N 0.48 4.62 -0.08 10.11 1.01 -1.24 -0.17 120.40 135.12 1khn s VAL 399 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1khn s VAL 399 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1khn s VAL 399 CO 0.06 0.46 -0.07 -0.04 0.00 0.00 0.00 175.10 175.51 1khn s MET 400 N 0.43 2.90 0.14 2.72 -1.94 -0.76 -0.83 119.30 121.96 1khn s MET 400 Ca 0.02 -0.55 0.11 0.00 -1.71 0.00 0.00 55.69 53.55 1khn s MET 400 Cb -0.13 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1khn s MET 400 CO 0.01 0.58 -0.25 0.45 -0.01 0.00 0.00 175.02 175.80 1khn s SER 401 N -0.59 3.19 -0.37 3.03 0.15 0.22 -2.01 113.70 117.33 1khn s SER 401 Ca 0.09 -0.76 0.01 0.00 0.70 0.00 0.00 55.95 55.99 1khn s SER 401 Cb -0.12 -0.21 0.15 0.00 -1.71 0.00 0.00 66.02 64.13 1khn s SER 401 CO 0.02 0.15 0.24 -0.31 1.20 0.00 0.00 173.24 174.53 1khn s TYR 402 N -1.19 0.85 -0.40 3.44 1.51 -0.53 -0.23 117.35 120.80 1khn s TYR 402 Ca 0.14 -1.80 0.07 0.00 -1.01 0.00 0.00 57.07 54.47 1khn s TYR 402 Cb -0.10 -0.96 0.43 0.00 -0.11 0.00 0.00 41.96 41.23 1khn s TYR 402 CO 0.06 -0.83 1.11 0.41 -1.11 0.00 0.00 175.55 175.19 1khn n GLY 403 N 3.77 5.50 0.00 0.71 0.00 -1.26 -1.66 105.19 112.26 1khn n GLY 403 Ca 0.16 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.62 1khn n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1khn n ASN 404 N -0.47 1.38 -3.67 1.61 0.23 -1.26 -4.89 115.26 108.18 1khn n ASN 404 Ca 0.36 -1.52 -0.08 0.00 -0.53 0.00 0.00 54.58 52.80 1khn n ASN 404 Cb 0.73 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.34 1khn n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1khn s SER 405 N -0.52 -0.68 0.00 0.53 0.15 -1.26 -4.70 113.70 107.21 1khn s SER 405 Ca 0.00 1.17 0.28 0.00 0.70 0.00 0.00 55.95 58.11 1khn s SER 405 Cb 0.00 1.18 1.17 0.00 -1.71 0.00 0.00 66.02 66.66 1khn s SER 405 CO 0.00 -0.22 1.81 -0.62 1.20 0.00 0.00 173.24 175.42 1khn n GLU 406 N 4.53 1.06 -0.88 5.44 1.02 -1.26 -4.84 120.64 125.71 1khn n GLU 406 Ca -0.19 -0.48 -0.14 0.00 -0.02 0.00 0.00 57.16 56.33 1khn n GLU 406 Cb 0.55 -1.49 0.10 0.00 -0.02 0.00 0.00 31.44 30.58 1khn n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1khn n GLU 407 N -0.55 -0.60 -0.57 3.49 -0.58 -1.26 -4.94 120.64 115.63 1khn n GLU 407 Ca 0.17 -0.96 0.04 0.00 -0.42 0.00 0.00 57.16 56.00 1khn n GLU 407 Cb 0.29 -0.63 0.26 0.00 -0.57 0.00 0.00 31.44 30.79 1khn n GLU 407 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1khn n ASP 408 N -3.40 4.02 -3.69 1.62 9.92 -1.26 -4.78 116.55 118.97 1khn n ASP 408 Ca 0.08 -2.59 -0.14 0.00 -0.53 0.00 0.00 54.79 51.61 1khn n ASP 408 Cb 0.27 -0.62 -0.14 0.00 -0.64 0.00 0.00 41.12 39.99 1khn n ASP 408 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1khn s SER 409 N -0.50 0.16 0.16 -2.24 0.15 -1.26 -4.85 113.70 105.32 1khn s SER 409 Ca 0.35 0.50 -0.30 0.00 0.70 0.00 0.00 55.95 57.20 1khn s SER 409 Cb 0.26 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.99 1khn s SER 409 CO 0.10 -0.21 1.06 -1.10 1.20 0.00 0.00 173.24 174.29 1khn s GLN 410 N 1.89 4.64 0.38 5.44 -1.52 -0.59 -4.75 119.66 125.14 1khn s GLN 410 Ca -0.03 1.64 -0.02 0.00 -1.95 0.00 0.00 55.36 54.99 1khn s GLN 410 Cb -0.11 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 1khn s GLN 410 CO -0.08 0.14 0.62 -1.21 -0.25 0.00 0.00 175.29 174.51 1khn s GLU 411 N -0.32 3.53 1.19 2.91 2.02 -1.26 -4.41 118.70 122.36 1khn s GLU 411 Ca 0.48 -0.12 -0.16 0.00 0.02 0.00 0.00 54.97 55.19 1khn s GLU 411 Cb -0.28 -2.58 0.28 0.00 0.10 0.00 0.00 34.13 31.66 1khn s GLU 411 CO 0.33 0.06 1.04 -1.01 0.02 0.00 0.00 175.26 175.71 1khn s HIS 412 N -2.40 0.92 0.04 1.61 3.76 -1.26 -2.68 115.29 115.28 1khn s HIS 412 Ca 0.43 0.81 -0.00 0.00 -0.15 0.00 0.00 55.06 56.14 1khn s HIS 412 Cb -0.10 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.36 1khn s HIS 412 CO 0.37 -3.88 -0.03 0.95 -0.85 0.00 0.00 174.74 171.30 1khn s THR 413 N -2.70 0.24 -2.06 1.30 -4.23 -0.39 -4.74 115.64 103.05 1khn s THR 413 Ca 0.68 -1.53 0.16 0.00 -1.18 0.00 0.00 61.69 59.82 1khn s THR 413 Cb -0.17 -1.13 0.42 0.00 1.34 0.00 0.00 72.50 72.96 1khn s THR 413 CO 0.59 -0.82 1.37 0.61 -0.54 0.00 0.00 174.62 175.83 1khn n GLY 414 N 0.58 1.10 3.76 3.99 0.00 -1.26 -3.08 105.19 110.28 1khn n GLY 414 Ca -0.17 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1khn n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1khn s SER 415 N -1.10 6.41 0.60 1.61 0.15 -1.26 -4.86 113.70 115.25 1khn s SER 415 Ca 0.32 2.95 -0.19 0.00 0.70 0.00 0.00 55.95 59.72 1khn s SER 415 Cb 0.17 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1khn s SER 415 CO 0.22 -0.86 1.29 0.00 1.20 0.00 0.00 173.24 175.10 1khn s GLN 416 N -1.16 2.85 0.28 5.44 -2.07 -1.26 -4.46 119.66 119.28 1khn s GLN 416 Ca 0.58 2.06 0.03 0.00 -1.82 0.00 0.00 55.36 56.21 1khn s GLN 416 Cb -0.46 -2.00 -0.04 0.00 -1.09 0.00 0.00 33.01 29.42 1khn s GLN 416 CO 0.54 -1.36 0.17 -0.48 -1.32 0.00 0.00 175.29 172.83 1khn s LEU 417 N -4.01 1.55 0.42 2.60 -0.00 -1.12 -4.90 118.68 113.22 1khn s LEU 417 Ca 0.78 -1.53 -0.26 0.00 -0.00 0.00 0.00 54.13 53.11 1khn s LEU 417 Cb -0.37 0.29 -0.09 0.00 -0.00 0.00 0.00 46.19 46.03 1khn s LEU 417 CO 0.41 -0.89 1.40 -0.60 -0.00 0.00 0.00 176.35 176.66 1khn s ARG 418 N -3.86 3.84 -0.04 1.48 3.52 -1.26 -1.32 118.95 121.31 1khn s ARG 418 Ca 0.38 2.37 -0.02 0.00 -0.13 0.00 0.00 55.73 58.32 1khn s ARG 418 Cb 0.05 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.74 1khn s ARG 418 CO 0.17 -0.67 0.06 -1.50 -0.81 0.00 0.00 175.30 172.56 1khn s ILE 419 N -1.20 -0.11 -0.01 4.11 1.10 -0.55 -4.27 121.20 120.27 1khn s ILE 419 Ca 0.58 0.37 0.03 0.00 -0.51 0.00 0.00 60.65 61.12 1khn s ILE 419 Cb -0.42 -0.15 -0.01 0.00 0.15 0.00 0.00 42.46 42.03 1khn s ILE 419 CO 0.55 0.15 -0.09 0.00 -2.11 0.00 0.00 174.94 173.45 1khn s ALA 420 N 1.91 0.72 0.07 1.50 0.00 -0.70 -1.58 121.76 123.68 1khn s ALA 420 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1khn s ALA 420 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1khn s ALA 420 CO -0.03 0.17 0.05 0.00 0.00 0.00 0.00 175.76 175.95 1khn s ALA 421 N -0.16 0.31 -0.02 0.00 0.00 0.24 -0.69 121.76 121.45 1khn s ALA 421 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1khn s ALA 421 Cb -0.04 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.50 1khn s ALA 421 CO -0.00 -0.43 0.01 -0.47 0.00 0.00 0.00 175.76 174.87 1khn s TYR 422 N -3.92 0.12 -0.63 0.00 5.04 -0.42 -2.45 117.35 115.10 1khn s TYR 422 Ca 0.08 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.76 1khn s TYR 422 Cb 0.07 -0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.16 1khn s TYR 422 CO -0.09 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 1khn n GLY 423 N 3.79 0.38 3.76 8.97 0.00 -1.26 -0.74 105.19 120.10 1khn n GLY 423 Ca -0.22 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.16 1khn n GLY 423 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1khn s PRO 424 N -0.25 3.69 0.00 1.61 0.02 -1.25 -2.71 135.00 136.10 1khn s PRO 424 Ca 0.00 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1khn s PRO 424 Cb 0.00 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.99 1khn s PRO 424 CO 0.00 -0.70 0.00 0.72 -0.33 0.00 0.00 177.00 176.69 1khn n HIS 425 N -0.35 0.00 0.25 6.54 8.25 0.14 -4.76 115.22 125.31 1khn n HIS 425 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1khn n HIS 425 Cb 0.45 -1.44 0.64 0.00 1.12 0.00 0.00 29.99 30.77 1khn n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1khn h ALA 426 N 0.00 1.11 -0.11 -1.41 0.00 -1.70 -2.89 119.26 114.26 1khn h ALA 426 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1khn h ALA 426 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1khn h ALA 426 CO 0.00 0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.62 1khn h ALA 427 N 1.87 1.54 0.00 0.00 0.00 -1.85 -0.83 119.26 119.99 1khn h ALA 427 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1khn h ALA 427 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1khn h ALA 427 CO 0.02 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.10 1khn n ASN 428 N -3.44 0.00 0.03 0.00 3.02 -1.09 -2.12 115.26 111.66 1khn n ASN 428 Ca 0.00 -0.13 0.06 0.00 -0.03 0.00 0.00 54.58 54.48 1khn n ASN 428 Cb 0.29 -0.21 -0.09 0.00 -0.61 0.00 0.00 39.78 39.17 1khn n ASN 428 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1khn n VAL 429 N -1.21 0.66 -2.31 2.41 0.31 -0.31 -4.96 118.33 112.91 1khn n VAL 429 Ca 0.10 -0.60 -0.36 0.00 -0.01 0.00 0.00 64.34 63.47 1khn n VAL 429 Cb 0.12 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.69 1khn n VAL 429 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1khn s VAL 430 N -3.21 3.26 0.00 2.52 1.01 -0.90 -3.92 120.40 119.16 1khn s VAL 430 Ca -0.04 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1khn s VAL 430 Cb 0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1khn s VAL 430 CO 0.84 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1khn n GLY 431 N 0.19 -1.75 3.75 4.51 0.00 -1.25 -4.81 105.19 105.82 1khn n GLY 431 Ca 0.10 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1khn n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1khn s LEU 432 N 0.00 4.34 0.00 0.99 2.96 -1.26 -2.20 118.68 123.52 1khn s LEU 432 Ca 0.00 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1khn s LEU 432 Cb 0.00 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1khn s LEU 432 CO 0.00 0.06 0.00 0.35 -1.32 0.00 0.00 176.35 175.44 1khn n THR 433 N 3.18 0.00 -4.27 3.68 -2.24 -0.99 -5.02 114.28 108.62 1khn n THR 433 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 1khn n THR 433 Cb 0.51 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1khn n THR 433 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1khn s ASP 434 N -0.74 2.18 0.37 3.42 2.15 -1.26 -2.29 116.67 120.51 1khn s ASP 434 Ca 0.00 -0.85 0.11 0.00 0.43 0.00 0.00 52.55 52.24 1khn s ASP 434 Cb 0.00 -0.09 0.89 0.00 -0.30 0.00 0.00 42.92 43.42 1khn s ASP 434 CO 0.00 -0.14 1.85 -0.61 -0.17 0.00 0.00 175.17 176.11 1khn h GLN 435 N 3.33 0.59 -0.09 4.34 4.15 -1.33 -1.04 115.11 125.07 1khn h GLN 435 Ca -0.40 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 1khn h GLN 435 Cb 1.20 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1khn h GLN 435 CO 0.52 0.39 -0.42 1.79 -1.93 0.00 0.00 178.83 179.19 1khn h THR 436 N 0.61 1.31 -0.54 2.39 1.35 -1.85 -2.56 112.91 113.61 1khn h THR 436 Ca 0.47 -1.52 0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1khn h THR 436 Cb 0.89 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 1khn h THR 436 CO -0.22 0.45 0.36 0.44 -0.25 0.00 0.00 175.52 176.30 1khn h ASP 437 N 0.16 0.52 -0.60 5.36 3.32 -1.50 -2.00 116.42 121.67 1khn h ASP 437 Ca 0.01 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.16 1khn h ASP 437 Cb 0.81 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 1khn h ASP 437 CO 0.06 0.35 0.21 0.25 -1.72 0.00 0.00 179.24 178.39 1khn h LEU 438 N 0.60 0.18 -0.48 1.55 5.85 -1.43 -0.49 115.31 121.08 1khn h LEU 438 Ca 0.22 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1khn h LEU 438 Cb 0.14 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1khn h LEU 438 CO -0.06 0.11 0.10 0.15 -0.34 0.00 0.00 178.44 178.39 1khn h PHE 439 N 0.38 0.15 -0.10 1.25 3.57 -1.40 -1.02 116.94 119.78 1khn h PHE 439 Ca 0.31 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 1khn h PHE 439 Cb 0.40 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1khn h PHE 439 CO -0.18 -0.00 -0.36 1.88 -2.23 0.00 0.00 178.31 177.42 1khn h TYR 440 N 0.23 0.23 -0.35 0.41 0.05 -1.31 -1.10 116.97 115.14 1khn h TYR 440 Ca 0.24 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.87 1khn h TYR 440 Cb 0.32 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1khn h TYR 440 CO -0.22 0.54 -0.18 1.15 -1.05 0.00 0.00 178.16 178.39 1khn h THR 441 N 0.17 1.29 -0.03 -2.88 2.02 -0.02 -0.20 112.91 113.26 1khn h THR 441 Ca 0.02 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1khn h THR 441 Cb 0.72 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1khn h THR 441 CO 0.05 0.43 -0.02 0.24 0.37 0.00 0.00 175.52 176.60 1khn h MET 442 N 0.51 0.06 -0.95 6.66 2.86 -1.14 0.15 114.93 123.07 1khn h MET 442 Ca 0.07 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1khn h MET 442 Cb 0.73 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.32 1khn h MET 442 CO 0.05 0.48 0.62 -0.22 1.06 0.00 0.00 176.91 178.90 1khn h LYS 443 N -0.37 1.02 -0.12 1.72 3.64 -1.20 -1.27 116.57 119.98 1khn h LYS 443 Ca 0.01 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1khn h LYS 443 Cb 0.47 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1khn h LYS 443 CO 0.00 0.67 -0.54 0.00 -2.27 0.00 0.00 179.45 177.32 1khn h ALA 444 N 1.50 0.23 -0.55 5.00 0.00 -0.95 -0.67 119.26 123.83 1khn h ALA 444 Ca 0.43 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1khn h ALA 444 Cb 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1khn h ALA 444 CO -0.18 0.44 0.31 0.00 0.00 0.00 0.00 179.25 179.83 1khn h ALA 445 N 0.50 0.71 0.00 0.00 0.00 -0.48 -2.31 119.26 117.67 1khn h ALA 445 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1khn h ALA 445 Cb 1.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1khn h ALA 445 CO 0.11 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 1khn h LEU 446 N 0.61 0.00 0.05 0.00 3.38 -1.30 -1.34 115.31 116.71 1khn h LEU 446 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1khn h LEU 446 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1khn h LEU 446 CO -0.12 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.01 1khn n GLY 447 N 1.04 0.36 3.79 0.83 0.00 -0.87 -4.93 105.19 105.41 1khn n GLY 447 Ca 0.05 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1khn n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1khn s LEU 448 N -0.10 3.71 0.00 0.99 1.02 -0.30 -5.04 118.68 118.96 1khn s LEU 448 Ca 0.00 1.97 0.27 0.00 0.02 0.00 0.00 54.13 56.39 1khn s LEU 448 Cb 0.00 -4.56 0.83 0.00 0.02 0.00 0.00 46.19 42.48 1khn s LEU 448 CO 0.00 -1.04 1.62 2.29 0.02 0.00 0.00 176.35 179.25