#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LYS 3 N 0.00 1.51 -3.21 0.54 0.00 -1.26 -5.09 118.16 110.66 3kit n LYS 3 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 3kit n LYS 3 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 35.03 34.01 3kit n LYS 3 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kit n HIS 4 N -2.28 0.13 -3.54 5.64 8.25 -1.26 -5.18 115.22 116.99 3kit n HIS 4 Ca 0.00 -1.29 -0.20 0.00 -0.26 0.00 0.00 57.72 55.96 3kit n HIS 4 Cb 0.49 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 3kit n HIS 4 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kit s GLY 5 N -2.26 2.08 0.03 -1.41 0.00 -1.26 -5.02 107.32 99.48 3kit s GLY 5 Ca 0.09 -1.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.89 3kit s GLY 5 CO 0.06 -1.66 0.98 1.70 0.00 0.00 0.00 173.10 174.18 3kit h LYS 6 N 1.01 0.37 -0.32 2.90 3.11 -2.02 -0.18 116.57 121.43 3kit h LYS 6 Ca -0.42 -0.63 0.09 0.00 -2.81 0.00 0.00 60.65 56.89 3kit h LYS 6 Cb 1.27 0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.72 3kit h LYS 6 CO 0.56 1.28 0.48 -0.09 -2.81 0.00 0.00 179.45 178.87 3kit h ARG 7 N 0.10 0.00 0.02 1.90 2.43 -1.96 0.62 114.38 117.48 3kit h ARG 7 Ca -0.22 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.59 3kit h ARG 7 Cb 2.06 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.55 3kit h ARG 7 CO 0.22 0.00 -2.27 0.98 -1.51 0.00 0.00 179.97 177.39 3kit n TYR 8 N -3.41 0.30 0.26 2.20 9.36 -1.19 -4.30 117.16 120.39 3kit n TYR 8 Ca 0.05 0.09 0.16 0.00 3.32 0.00 0.00 57.90 61.52 3kit n TYR 8 Cb 0.62 -1.05 0.83 0.00 -0.63 0.00 0.00 39.34 39.12 3kit n TYR 8 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3kit h ARG 9 N 0.01 0.00 0.00 2.98 2.43 0.21 -0.73 114.38 119.28 3kit h ARG 9 Ca -0.50 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 3kit h ARG 9 Cb 2.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.61 3kit h ARG 9 CO 0.01 0.00 -1.23 0.00 -1.51 0.00 0.00 179.97 177.23 3kit n ALA 10 N -1.92 2.26 0.20 2.80 0.00 -0.49 -3.84 120.51 119.52 3kit n ALA 10 Ca -0.02 -0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.11 3kit n ALA 10 Cb 0.09 -1.02 0.32 0.00 0.00 0.00 0.00 19.45 18.84 3kit n ALA 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kit h LEU 11 N 0.00 0.00 0.00 0.00 3.38 -1.32 -2.92 115.31 114.45 3kit h LEU 11 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kit h LEU 11 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3kit h LEU 11 CO 0.02 0.31 0.00 0.18 0.09 0.00 0.00 178.44 179.04 3kit n LEU 12 N -3.36 0.00 0.06 1.67 4.77 -1.16 -3.02 117.00 115.96 3kit n LEU 12 Ca 0.01 0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 3kit n LEU 12 Cb 0.52 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3kit n LEU 12 CO 0.36 -0.05 -0.06 -0.33 -1.33 0.00 0.00 177.39 175.98 3kit h GLU 13 N 0.00 0.00 -1.27 3.23 4.39 -1.73 -3.37 114.58 115.84 3kit h GLU 13 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 3kit h GLU 13 Cb 0.06 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.32 3kit h GLU 13 CO 0.00 0.46 -0.36 1.63 -1.16 0.00 0.00 179.01 179.59 3kit n LYS 14 N -3.06 3.33 -3.30 2.33 4.01 -1.17 -4.91 118.16 115.40 3kit n LYS 14 Ca -0.06 -4.14 -0.09 0.00 -0.51 0.00 0.00 58.31 53.51 3kit n LYS 14 Cb 0.85 -2.27 -0.06 0.00 -0.51 0.00 0.00 35.03 33.05 3kit n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3kit s VAL 15 N -5.09 -0.64 -0.12 -0.18 -7.23 -1.26 -5.09 120.40 100.80 3kit s VAL 15 Ca 0.51 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 60.02 3kit s VAL 15 Cb 0.42 -0.87 -0.08 0.00 0.56 0.00 0.00 36.38 36.41 3kit s VAL 15 CO -0.12 -0.29 2.08 -0.67 -0.31 0.00 0.00 175.10 175.78 3kit n ASP 16 N 5.12 3.52 0.00 4.85 2.03 -1.26 -4.83 116.55 125.98 3kit n ASP 16 Ca 0.03 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.94 3kit n ASP 16 Cb 0.50 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 3kit n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kit n PRO 17 N 7.93 0.00 -2.77 -0.67 -0.04 -1.26 -2.95 135.00 135.24 3kit n PRO 17 Ca 0.26 0.33 -0.10 0.00 -0.04 0.00 0.00 63.50 63.96 3kit n PRO 17 Cb 0.39 -1.63 0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3kit n PRO 17 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kit n ASN 18 N -1.32 -0.47 -4.08 3.54 6.94 -1.26 -5.08 115.26 113.52 3kit n ASN 18 Ca 0.00 -2.83 -0.21 0.00 -0.02 0.00 0.00 54.58 51.52 3kit n ASN 18 Cb 0.13 0.42 -0.15 0.00 -2.36 0.00 0.00 39.78 37.82 3kit n ASN 18 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3kit s LYS 19 N -1.27 0.98 -0.51 -3.83 2.36 -1.15 -5.11 119.74 111.21 3kit s LYS 19 Ca 0.26 -0.44 -0.24 0.00 -2.55 0.00 0.00 55.97 53.00 3kit s LYS 19 Cb 0.39 -0.95 0.04 0.00 -1.05 0.00 0.00 37.83 36.26 3kit s LYS 19 CO -0.04 0.26 0.88 0.08 1.55 0.00 0.00 175.35 178.08 3kit s VAL 20 N -0.30 4.50 0.30 4.02 1.01 -1.26 -4.50 120.40 124.16 3kit s VAL 20 Ca 0.05 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3kit s VAL 20 Cb -0.05 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 3kit s VAL 20 CO -0.00 -0.97 0.53 -0.31 0.00 0.00 0.00 175.10 174.34 3kit s TYR 21 N 3.67 3.49 0.44 5.22 1.51 -0.03 -4.86 117.35 126.79 3kit s TYR 21 Ca 0.30 0.49 0.04 0.00 -1.01 0.00 0.00 57.07 56.88 3kit s TYR 21 Cb -0.13 -1.99 0.08 0.00 -0.11 0.00 0.00 41.96 39.82 3kit s TYR 21 CO 0.20 0.18 0.61 0.25 -1.11 0.00 0.00 175.55 175.68 3kit n THR 22 N -1.21 0.00 1.16 -0.71 -2.24 -1.26 -1.41 114.28 108.61 3kit n THR 22 Ca -0.03 -1.22 0.13 0.00 -2.27 0.00 0.00 64.05 60.66 3kit n THR 22 Cb 0.55 -0.83 0.47 0.00 -2.10 0.00 0.00 70.33 68.42 3kit n THR 22 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kit n ILE 23 N -2.09 0.00 -0.07 2.28 5.41 -1.24 -0.77 119.36 122.88 3kit n ILE 23 Ca 0.11 -0.03 -0.07 0.00 1.00 0.00 0.00 62.75 63.76 3kit n ILE 23 Cb 0.41 -0.04 -0.11 0.00 -0.71 0.00 0.00 39.64 39.19 3kit n ILE 23 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kit n ASP 24 N -1.24 1.57 0.07 4.38 8.00 -1.26 -3.36 116.55 124.70 3kit n ASP 24 Ca 0.09 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3kit n ASP 24 Cb 0.32 0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 42.05 3kit n ASP 24 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3kit h GLU 25 N 0.00 0.17 0.00 -1.24 4.81 -1.95 -3.38 114.58 112.99 3kit h GLU 25 Ca -0.39 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.47 3kit h GLU 25 Cb 1.86 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.33 3kit h GLU 25 CO 0.02 1.06 -1.96 0.00 -0.73 0.00 0.00 179.01 177.40 3kit n ALA 26 N -2.53 2.37 0.29 2.92 0.00 0.05 -4.05 120.51 119.57 3kit n ALA 26 Ca -0.10 -0.65 0.17 0.00 0.00 0.00 0.00 53.44 52.86 3kit n ALA 26 Cb 1.01 -0.49 0.67 0.00 0.00 0.00 0.00 19.45 20.64 3kit n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kit h ALA 27 N 1.47 1.00 0.00 0.00 0.00 -1.69 -1.63 119.26 118.41 3kit h ALA 27 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kit h ALA 27 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kit h ALA 27 CO 0.01 0.00 -1.65 2.89 0.00 0.00 0.00 179.25 180.50 3kit n ARG 28 N -2.99 0.44 0.00 0.00 1.85 -1.26 -3.91 116.66 110.79 3kit n ARG 28 Ca 0.01 -0.13 0.12 0.00 -1.00 0.00 0.00 57.85 56.85 3kit n ARG 28 Cb 0.29 -1.52 0.20 0.00 -1.05 0.00 0.00 32.46 30.39 3kit n ARG 28 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3kit n LEU 29 N -2.01 0.67 0.04 2.89 0.00 -1.01 -3.54 117.00 114.03 3kit n LEU 29 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 56.01 55.90 3kit n LEU 29 Cb 0.49 -0.19 -0.07 0.00 0.00 0.00 0.00 43.42 43.64 3kit n LEU 29 CO 0.45 0.16 -0.29 0.52 0.00 0.00 0.00 177.39 178.22 3kit n VAL 30 N -1.37 1.02 0.09 1.96 0.31 -0.64 -3.26 118.33 116.43 3kit n VAL 30 Ca 0.06 -0.66 -0.03 0.00 -0.01 0.00 0.00 64.34 63.70 3kit n VAL 30 Cb 0.34 -0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 3kit n VAL 30 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kit h LYS 31 N 0.00 0.00 -0.02 5.55 3.11 -1.68 -3.22 116.57 120.31 3kit h LYS 31 Ca -0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 3kit h LYS 31 Cb 1.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 3kit h LYS 31 CO 0.03 0.81 -0.13 -0.85 -2.81 0.00 0.00 179.45 176.50 3kit n GLU 32 N -3.38 1.71 -0.29 1.90 0.28 -1.23 -3.80 120.64 115.83 3kit n GLU 32 Ca 0.00 -1.27 0.09 0.00 -0.16 0.00 0.00 57.16 55.83 3kit n GLU 32 Cb 0.83 -1.47 0.26 0.00 1.43 0.00 0.00 31.44 32.49 3kit n GLU 32 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kit n LEU 33 N 0.46 3.55 -3.85 -1.84 4.77 -1.20 -4.66 117.00 114.23 3kit n LEU 33 Ca 0.14 -1.99 -0.40 0.00 -0.03 0.00 0.00 56.01 53.73 3kit n LEU 33 Cb 0.47 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kit n LEU 33 CO 0.20 0.89 1.00 0.00 -1.33 0.00 0.00 177.39 178.14 3kit n ALA 34 N 1.21 5.13 -2.91 -1.18 0.00 -1.24 -4.51 120.51 117.01 3kit n ALA 34 Ca 0.19 -4.78 -0.44 0.00 0.00 0.00 0.00 53.44 48.42 3kit n ALA 34 Cb 0.55 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3kit n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kit n THR 35 N 1.04 4.39 -4.59 0.00 -2.24 -1.26 -4.97 114.28 106.64 3kit n THR 35 Ca 0.29 -4.85 -0.28 0.00 -2.27 0.00 0.00 64.05 56.94 3kit n THR 35 Cb 0.33 -2.45 -0.07 0.00 -2.10 0.00 0.00 70.33 66.04 3kit n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kit s ALA 36 N 0.61 3.35 -0.47 6.98 0.00 -1.26 -4.96 121.76 126.01 3kit s ALA 36 Ca 0.40 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.54 3kit s ALA 36 Cb -0.01 0.58 0.65 0.00 0.00 0.00 0.00 23.12 24.34 3kit s ALA 36 CO -0.01 -0.26 1.93 1.63 0.00 0.00 0.00 175.76 179.05 3kit n LYS 37 N -1.05 2.29 -3.85 0.00 5.02 -1.26 -4.95 118.16 114.36 3kit n LYS 37 Ca -0.10 -3.03 -0.06 0.00 -2.02 0.00 0.00 58.31 53.10 3kit n LYS 37 Cb 0.65 -2.19 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 3kit n LYS 37 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3kit s PHE 38 N -3.34 0.13 -0.46 2.13 -0.71 -1.26 -5.12 117.98 109.35 3kit s PHE 38 Ca 0.58 -0.70 -0.22 0.00 -1.04 0.00 0.00 56.93 55.55 3kit s PHE 38 Cb 0.48 0.79 0.03 0.00 -1.21 0.00 0.00 43.02 43.11 3kit s PHE 38 CO 0.10 -1.32 0.72 0.34 -1.34 0.00 0.00 175.22 173.72 3kit s ASP 39 N -3.25 6.34 0.97 1.98 -1.08 -1.26 -4.99 116.67 115.38 3kit s ASP 39 Ca 0.19 -0.34 -0.11 0.00 -0.52 0.00 0.00 52.55 51.77 3kit s ASP 39 Cb -0.04 -2.35 0.16 0.00 -1.46 0.00 0.00 42.92 39.23 3kit s ASP 39 CO 0.09 -0.89 0.95 -0.62 0.52 0.00 0.00 175.17 175.23 3kit n GLU 40 N 6.53 -0.86 -3.90 4.34 1.02 -1.26 -4.79 120.64 121.71 3kit n GLU 40 Ca -0.01 -1.54 -0.27 0.00 -0.02 0.00 0.00 57.16 55.31 3kit n GLU 40 Cb 0.48 -0.95 -0.17 0.00 -0.02 0.00 0.00 31.44 30.78 3kit n GLU 40 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kit s THR 41 N -3.04 1.08 -0.51 2.62 2.01 -1.26 -1.31 115.64 115.23 3kit s THR 41 Ca 0.54 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.84 3kit s THR 41 Cb -0.02 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.37 3kit s THR 41 CO 0.38 0.27 1.03 -0.69 -0.69 0.00 0.00 174.62 174.93 3kit s VAL 42 N 1.67 4.30 0.31 3.82 1.01 -1.20 -1.54 120.40 128.77 3kit s VAL 42 Ca 0.03 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.85 3kit s VAL 42 Cb -0.14 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 3kit s VAL 42 CO -0.08 -1.05 0.43 -1.83 0.00 0.00 0.00 175.10 172.57 3kit s GLU 43 N 4.21 3.17 -0.09 2.72 -1.05 0.75 -2.56 118.70 125.85 3kit s GLU 43 Ca 0.39 -0.97 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 3kit s GLU 43 Cb -0.09 -2.81 0.02 0.00 -0.44 0.00 0.00 34.13 30.81 3kit s GLU 43 CO 0.26 0.16 -0.10 0.08 0.95 0.00 0.00 175.26 176.61 3kit s VAL 44 N -2.14 1.08 -0.08 1.83 1.01 -1.17 0.18 120.40 121.13 3kit s VAL 44 Ca 0.42 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3kit s VAL 44 Cb -0.09 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3kit s VAL 44 CO 0.30 0.36 -0.19 -1.00 0.00 0.00 0.00 175.10 174.57 3kit s HIS 45 N 1.14 2.62 -0.11 5.22 3.76 0.20 -4.36 115.29 123.75 3kit s HIS 45 Ca -0.06 -0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 54.17 3kit s HIS 45 Cb -0.14 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 31.90 3kit s HIS 45 CO -0.02 -0.13 0.30 0.00 -0.85 0.00 0.00 174.74 174.04 3kit s ALA 46 N -0.13 -0.74 -0.19 -1.40 0.00 -1.22 0.19 121.76 118.28 3kit s ALA 46 Ca -0.03 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 3kit s ALA 46 Cb -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3kit s ALA 46 CO 0.04 -0.15 0.55 0.21 0.00 0.00 0.00 175.76 176.41 3kit s LYS 47 N 0.32 4.21 0.09 0.00 2.47 0.36 -2.66 119.74 124.53 3kit s LYS 47 Ca -0.01 0.49 -0.20 0.00 -1.56 0.00 0.00 55.97 54.68 3kit s LYS 47 Cb -0.03 -3.56 -0.07 0.00 -1.46 0.00 0.00 37.83 32.71 3kit s LYS 47 CO -0.01 -0.15 0.60 -0.51 0.16 0.00 0.00 175.35 175.44 3kit s LEU 48 N 1.63 4.53 -1.25 5.43 1.02 -0.77 -2.26 118.68 127.01 3kit s LEU 48 Ca 0.26 1.31 -0.08 0.00 0.02 0.00 0.00 54.13 55.64 3kit s LEU 48 Cb -0.16 -2.96 -0.09 0.00 0.02 0.00 0.00 46.19 43.00 3kit s LEU 48 CO 0.10 0.26 3.01 0.61 0.02 0.00 0.00 176.35 180.35 3kit n GLY 49 N 1.67 4.15 3.51 -3.19 0.00 -1.08 -4.87 105.19 105.39 3kit n GLY 49 Ca -0.10 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 3kit n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kit s ILE 50 N 1.36 1.58 -0.03 -0.61 -5.25 -1.26 -4.34 121.20 112.65 3kit s ILE 50 Ca 0.67 -2.02 -0.20 0.00 -0.99 0.00 0.00 60.65 58.11 3kit s ILE 50 Cb 0.21 -2.82 -0.05 0.00 2.95 0.00 0.00 42.46 42.76 3kit s ILE 50 CO -0.06 -0.05 0.57 -0.62 -1.79 0.00 0.00 174.94 172.99 3kit s ASP 51 N -3.57 6.91 0.01 4.36 2.15 -1.26 -4.80 116.67 120.48 3kit s ASP 51 Ca 0.35 1.09 -0.20 0.00 0.43 0.00 0.00 52.55 54.22 3kit s ASP 51 Cb 0.08 -2.35 -0.11 0.00 -0.30 0.00 0.00 42.92 40.25 3kit s ASP 51 CO 0.16 0.08 1.01 1.55 -0.17 0.00 0.00 175.17 177.80 3kit h PRO 52 N 5.87 -0.69 -1.00 4.34 0.13 -1.87 -3.21 132.00 135.56 3kit h PRO 52 Ca -0.44 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kit h PRO 52 Cb 1.20 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3kit h PRO 52 CO 0.71 -0.46 0.00 2.89 -0.23 0.00 0.00 178.00 180.91 3kit n ARG 53 N -4.51 0.84 -3.05 0.86 0.00 -1.26 -4.62 116.66 104.92 3kit n ARG 53 Ca -0.09 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.32 3kit n ARG 53 Cb 0.28 -1.25 -0.01 0.00 -0.00 0.00 0.00 32.46 31.48 3kit n ARG 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kit s ARG 54 N -0.41 3.80 0.58 2.89 1.81 -1.22 -4.87 118.95 121.53 3kit s ARG 54 Ca 0.00 -2.26 0.18 0.00 -1.72 0.00 0.00 55.73 51.92 3kit s ARG 54 Cb 0.00 -4.83 0.96 0.00 -0.45 0.00 0.00 34.95 30.63 3kit s ARG 54 CO 0.00 -1.63 1.51 1.03 -0.68 0.00 0.00 175.30 175.52 3kit h SER 55 N 7.96 0.00 -0.44 0.23 0.87 -1.90 -0.25 113.55 120.01 3kit h SER 55 Ca 0.19 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.43 3kit h SER 55 Cb 0.97 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.62 3kit h SER 55 CO 1.07 0.00 -0.80 -0.90 -0.53 0.00 0.00 176.83 175.68 3kit n ASP 56 N -2.56 3.26 -2.70 6.23 5.75 -1.26 -5.26 116.55 120.02 3kit n ASP 56 Ca -0.01 -3.40 -0.06 0.00 -0.01 0.00 0.00 54.79 51.31 3kit n ASP 56 Cb 0.54 -0.41 0.09 0.00 -1.03 0.00 0.00 41.12 40.32 3kit n ASP 56 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3kit n GLN 57 N -0.71 1.27 0.00 0.11 7.27 -0.11 -4.78 117.38 120.43 3kit n GLN 57 Ca 0.29 -2.18 0.00 0.00 0.07 0.00 0.00 57.00 55.17 3kit n GLN 57 Cb 0.88 -0.37 0.00 0.00 2.41 0.00 0.00 30.24 33.17 3kit n GLN 57 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3kit n ASN 166 N -0.66 0.00 -2.50 1.69 6.94 -1.26 -4.69 115.26 114.78 3kit n ASN 166 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 3kit n ASN 166 Cb 0.84 0.38 0.00 0.00 -2.36 0.00 0.00 39.78 38.64 3kit n ASN 166 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3kit n ASP 167 N -0.65 0.00 -2.26 0.53 5.68 -0.88 -4.95 116.55 114.01 3kit n ASP 167 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 3kit n ASP 167 Cb 0.00 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 3kit n ASP 167 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3kit n LYS 168 N 0.00 2.41 0.00 0.11 2.85 -1.26 -4.14 118.16 118.13 3kit n LYS 168 Ca 0.00 -3.11 0.00 0.00 -1.05 0.00 0.00 58.31 54.15 3kit n LYS 168 Cb 0.00 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.16 3kit n LYS 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kit n THR 169 N -1.07 0.00 0.00 0.58 -2.24 -1.26 -4.73 114.28 105.56 3kit n THR 169 Ca 0.61 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 3kit n THR 169 Cb 1.31 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 3kit n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kit n GLY 170 N 0.00 1.52 3.85 3.38 0.00 -1.26 -4.60 105.19 108.08 3kit n GLY 170 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kit n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit s ALA 171 N -2.00 3.79 0.11 4.61 0.00 -1.26 -1.85 121.76 125.16 3kit s ALA 171 Ca 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.30 3kit s ALA 171 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3kit s ALA 171 CO 0.00 0.69 -0.26 -1.50 0.00 0.00 0.00 175.76 174.69 3kit s ILE 172 N -1.18 2.15 0.00 0.00 1.10 -1.09 -2.08 121.20 120.10 3kit s ILE 172 Ca 0.22 -1.64 0.00 0.00 -0.51 0.00 0.00 60.65 58.72 3kit s ILE 172 Cb -0.12 -1.89 0.00 0.00 0.15 0.00 0.00 42.46 40.60 3kit s ILE 172 CO 0.13 0.13 0.00 1.41 -2.11 0.00 0.00 174.94 174.50 3kit n HIS 173 N 1.14 0.00 0.00 3.50 8.25 -1.26 -3.38 115.22 123.47 3kit n HIS 173 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3kit n HIS 173 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3kit n HIS 173 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kit n ALA 174 N -3.00 0.00 -2.64 -1.41 0.00 -1.26 -4.86 120.51 107.34 3kit n ALA 174 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3kit n ALA 174 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3kit n ALA 174 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kit s PRO 175 N -4.39 3.68 -0.40 0.00 0.04 -1.26 -3.04 135.00 129.63 3kit s PRO 175 Ca 0.00 0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.18 3kit s PRO 175 Cb 0.00 -2.98 0.28 0.00 0.04 0.00 0.00 34.50 31.84 3kit s PRO 175 CO 0.00 0.56 0.66 1.33 0.04 0.00 0.00 177.00 179.59 3kit n VAL 176 N 0.76 -0.43 0.00 -0.36 0.24 -1.06 -4.99 118.33 112.49 3kit n VAL 176 Ca -0.07 -3.73 0.00 0.00 -2.04 0.00 0.00 64.34 58.50 3kit n VAL 176 Cb 0.52 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 3kit n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kit n GLY 177 N 1.06 0.61 3.72 7.63 0.00 -1.26 -4.77 105.19 112.18 3kit n GLY 177 Ca 0.20 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 3kit n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s LYS 178 N -0.75 2.18 -0.04 1.61 -0.14 -1.26 -3.24 119.74 118.10 3kit s LYS 178 Ca 0.00 -2.40 0.04 0.00 -1.36 0.00 0.00 55.97 52.24 3kit s LYS 178 Cb 0.00 -1.26 0.18 0.00 -1.68 0.00 0.00 37.83 35.07 3kit s LYS 178 CO 0.00 -0.45 0.85 0.00 -0.76 0.00 0.00 175.35 174.99 3kit n ALA 179 N -1.23 2.75 0.00 5.17 0.00 -0.43 -3.73 120.51 123.05 3kit n ALA 179 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3kit n ALA 179 Cb 0.66 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3kit n ALA 179 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kit n SER 180 N 0.11 2.36 -4.22 0.00 3.41 -1.26 -4.88 113.62 109.14 3kit n SER 180 Ca 0.06 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.19 3kit n SER 180 Cb 0.40 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 3kit n SER 180 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kit n PHE 181 N -1.05 -0.26 -0.76 7.33 3.01 -1.24 -4.89 117.46 119.60 3kit n PHE 181 Ca 0.00 0.94 -0.32 0.00 1.01 0.00 0.00 57.45 59.08 3kit n PHE 181 Cb 0.16 -1.89 0.15 0.00 -0.01 0.00 0.00 39.48 37.89 3kit n PHE 181 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kit n PRO 182 N 1.04 -0.35 0.00 -1.08 -0.02 -1.26 -4.77 135.00 128.57 3kit n PRO 182 Ca 0.18 -0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3kit n PRO 182 Cb 0.21 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3kit n PRO 182 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kit n PRO 183 N -3.24 0.01 0.00 0.52 -0.02 -1.26 -0.94 135.00 130.06 3kit n PRO 183 Ca 0.10 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3kit n PRO 183 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 3kit n PRO 183 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kit n GLU 184 N -1.43 1.22 -0.00 -0.52 4.71 -1.26 -2.85 120.64 120.50 3kit n GLU 184 Ca 0.00 -0.39 0.10 0.00 -0.01 0.00 0.00 57.16 56.86 3kit n GLU 184 Cb 0.01 -1.36 -0.13 0.00 -1.01 0.00 0.00 31.44 28.96 3kit n GLU 184 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kit n LYS 185 N -0.84 0.46 -0.12 3.49 4.01 -0.12 -3.46 118.16 121.58 3kit n LYS 185 Ca 0.05 -0.06 -0.25 0.00 -0.51 0.00 0.00 58.31 57.54 3kit n LYS 185 Cb 0.33 -1.46 -0.09 0.00 -0.51 0.00 0.00 35.03 33.31 3kit n LYS 185 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3kit n LEU 186 N -1.71 1.77 0.25 -0.35 4.77 -1.10 -3.60 117.00 117.02 3kit n LEU 186 Ca 0.01 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 3kit n LEU 186 Cb 0.38 -0.70 0.67 0.00 -2.33 0.00 0.00 43.42 41.44 3kit n LEU 186 CO 0.42 0.52 0.93 0.00 -1.33 0.00 0.00 177.39 177.93 3kit h ALA 187 N -0.79 1.20 0.00 -1.18 0.00 -1.73 -0.45 119.26 116.31 3kit h ALA 187 Ca -0.60 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 3kit h ALA 187 Cb 1.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3kit h ALA 187 CO -0.34 0.18 -1.80 -0.25 0.00 0.00 0.00 179.25 177.04 3kit n ASP 188 N -3.56 0.36 0.02 0.00 8.00 -1.22 -4.23 116.55 115.92 3kit n ASP 188 Ca -0.01 0.15 0.11 0.00 0.71 0.00 0.00 54.79 55.75 3kit n ASP 188 Cb 0.29 1.03 0.03 0.00 -0.02 0.00 0.00 41.12 42.45 3kit n ASP 188 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kit n ASN 189 N -2.61 0.63 0.02 -2.24 5.15 -1.13 -3.62 115.26 111.45 3kit n ASN 189 Ca -0.12 -0.26 -0.09 0.00 -0.60 0.00 0.00 54.58 53.51 3kit n ASN 189 Cb 0.79 0.76 0.05 0.00 -0.53 0.00 0.00 39.78 40.85 3kit n ASN 189 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3kit h ILE 190 N 0.00 1.33 0.00 -1.44 1.08 -1.26 -2.69 117.51 114.54 3kit h ILE 190 Ca 0.00 -1.86 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 3kit h ILE 190 Cb 0.70 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 3kit h ILE 190 CO 0.00 0.57 0.00 0.03 -0.69 0.00 0.00 178.15 178.06 3kit h ARG 191 N 0.39 0.00 0.00 2.37 3.08 -1.74 -2.64 114.38 115.84 3kit h ARG 191 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kit h ARG 191 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3kit h ARG 191 CO 0.11 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 179.01 3kit h ALA 192 N 2.17 1.00 0.00 0.04 0.00 -1.54 -2.22 119.26 118.70 3kit h ALA 192 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3kit h ALA 192 Cb 0.77 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3kit h ALA 192 CO 0.00 0.00 -1.71 0.34 0.00 0.00 0.00 179.25 177.88 3kit n PHE 193 N -3.10 0.52 0.10 0.00 7.35 -1.12 -3.23 117.46 117.98 3kit n PHE 193 Ca 0.04 0.17 -0.12 0.00 -0.76 0.00 0.00 57.45 56.78 3kit n PHE 193 Cb 0.53 -0.90 -0.08 0.00 0.35 0.00 0.00 39.48 39.38 3kit n PHE 193 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3kit h ILE 194 N 0.00 0.79 0.00 -2.13 1.08 -1.43 -2.85 117.51 112.97 3kit h ILE 194 Ca -0.17 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 3kit h ILE 194 Cb 1.48 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 3kit h ILE 194 CO 0.02 0.17 0.00 0.54 -0.69 0.00 0.00 178.15 178.19 3kit n ARG 195 N -5.03 0.56 0.09 2.37 1.74 -0.84 -1.22 116.66 114.33 3kit n ARG 195 Ca -0.09 0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.05 3kit n ARG 195 Cb 0.26 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 3kit n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kit h ALA 196 N 3.15 0.64 0.00 7.54 0.00 -1.48 -3.34 119.26 125.77 3kit h ALA 196 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 54.91 54.13 3kit h ALA 196 Cb 0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3kit h ALA 196 CO 0.00 0.49 -2.32 1.28 0.00 0.00 0.00 179.25 178.71 3kit n LEU 197 N -2.90 2.31 -0.29 0.00 4.77 -0.66 -4.31 117.00 115.93 3kit n LEU 197 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3kit n LEU 197 Cb 0.70 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kit n LEU 197 CO 0.41 0.80 0.18 -0.62 -1.33 0.00 0.00 177.39 176.83 3kit n GLU 198 N -3.07 0.52 0.00 3.23 1.02 -0.36 -0.42 120.64 121.57 3kit n GLU 198 Ca -0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 3kit n GLU 198 Cb 0.98 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 3kit n GLU 198 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kit n ALA 199 N -0.07 1.49 -1.59 0.62 0.00 -1.25 -4.69 120.51 115.03 3kit n ALA 199 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.15 3kit n ALA 199 Cb 0.08 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.64 3kit n ALA 199 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kit n HIS 200 N -0.03 0.00 -2.36 0.00 8.25 0.44 -5.04 115.22 116.48 3kit n HIS 200 Ca 0.00 -0.88 -0.43 0.00 -0.26 0.00 0.00 57.72 56.15 3kit n HIS 200 Cb 0.13 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 3kit n HIS 200 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3kit s LYS 201 N -2.04 3.50 0.99 -0.41 2.20 -1.18 -5.00 119.74 117.80 3kit s LYS 201 Ca 0.28 0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 56.54 3kit s LYS 201 Cb 0.27 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3kit s LYS 201 CO -0.03 -1.66 -0.29 -2.30 -0.36 0.00 0.00 175.35 170.71 3kit n PRO 202 N 8.22 -0.28 0.32 4.03 -0.02 -1.26 -4.92 135.00 141.08 3kit n PRO 202 Ca 0.16 -0.06 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 3kit n PRO 202 Cb 0.48 -1.43 -0.09 0.00 -0.02 0.00 0.00 33.50 32.45 3kit n PRO 202 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kit h GLU 203 N -1.34 -0.78 -0.86 -0.52 4.39 -1.94 -3.19 114.58 110.32 3kit h GLU 203 Ca -0.44 0.05 -0.29 0.00 0.34 0.00 0.00 59.36 59.02 3kit h GLU 203 Cb 1.31 0.18 -0.17 0.00 -0.10 0.00 0.00 28.75 29.96 3kit h GLU 203 CO 0.29 -0.52 0.36 0.41 -1.16 0.00 0.00 179.01 178.39 3kit n GLY 204 N -1.45 3.68 3.55 -3.84 0.00 -1.26 -4.90 105.19 100.97 3kit n GLY 204 Ca -0.12 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3kit n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit s ALA 205 N -2.78 2.19 -0.15 4.61 0.00 -1.21 -4.96 121.76 119.46 3kit s ALA 205 Ca 0.49 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 3kit s ALA 205 Cb 0.40 -4.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.14 3kit s ALA 205 CO 0.11 -3.93 0.29 -1.59 0.00 0.00 0.00 175.76 170.64 3kit s LYS 206 N 6.82 4.22 0.00 0.00 -2.85 -1.26 -4.87 119.74 121.81 3kit s LYS 206 Ca 0.63 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 3kit s LYS 206 Cb -0.11 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.25 3kit s LYS 206 CO 0.16 0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.29 3kit n GLY 207 N 3.30 0.38 3.54 0.59 0.00 -1.26 -4.70 105.19 107.03 3kit n GLY 207 Ca -0.12 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 3kit n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kit s THR 208 N -0.35 3.84 0.59 2.61 2.01 -1.26 -4.85 115.64 118.23 3kit s THR 208 Ca 0.00 0.16 0.31 0.00 0.31 0.00 0.00 61.69 62.46 3kit s THR 208 Cb 0.00 -4.90 0.45 0.00 0.01 0.00 0.00 72.50 68.07 3kit s THR 208 CO 0.00 -1.81 1.33 0.33 -0.69 0.00 0.00 174.62 173.79 3kit n PHE 209 N 9.05 0.00 -3.33 4.92 7.35 -1.26 -2.02 117.46 132.17 3kit n PHE 209 Ca 0.05 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.48 3kit n PHE 209 Cb 0.49 -0.30 -0.09 0.00 0.35 0.00 0.00 39.48 39.92 3kit n PHE 209 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3kit n LEU 210 N -3.35 -0.36 0.35 -2.13 4.77 -1.26 -2.64 117.00 112.37 3kit n LEU 210 Ca 0.27 -4.43 -0.17 0.00 -0.03 0.00 0.00 56.01 51.64 3kit n LEU 210 Cb 1.62 0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 43.19 3kit n LEU 210 CO 0.27 1.91 0.63 0.03 -1.33 0.00 0.00 177.39 178.90 3kit h ARG 211 N 5.22 -0.83 -5.49 3.23 3.08 -0.96 -3.44 114.38 115.20 3kit h ARG 211 Ca 0.22 0.06 -0.61 0.00 0.07 0.00 0.00 59.98 59.72 3kit h ARG 211 Cb 0.90 0.19 -0.32 0.00 0.08 0.00 0.00 29.97 30.83 3kit h ARG 211 CO 0.39 -0.54 -0.85 0.45 -1.07 0.00 0.00 179.97 178.35 3kit s SER 212 N -4.46 2.50 -0.08 7.04 0.15 -1.23 -5.00 113.70 112.62 3kit s SER 212 Ca -0.17 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.09 3kit s SER 212 Cb 0.03 -0.76 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 3kit s SER 212 CO 0.60 0.18 -0.14 -0.69 1.20 0.00 0.00 173.24 174.39 3kit s VAL 213 N 0.03 1.31 0.00 4.45 1.01 -1.26 -0.49 120.40 125.47 3kit s VAL 213 Ca -0.06 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3kit s VAL 213 Cb -0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3kit s VAL 213 CO 0.03 0.40 -0.18 -0.31 0.00 0.00 0.00 175.10 175.04 3kit s TYR 214 N 0.68 1.63 -0.28 5.22 1.51 0.51 -1.80 117.35 124.83 3kit s TYR 214 Ca -0.14 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 3kit s TYR 214 Cb -0.16 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 3kit s TYR 214 CO 0.04 0.01 -0.06 0.08 -1.11 0.00 0.00 175.55 174.50 3kit s VAL 215 N -0.55 2.49 0.16 0.71 1.01 -0.62 0.63 120.40 124.23 3kit s VAL 215 Ca 0.07 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.54 3kit s VAL 215 Cb -0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3kit s VAL 215 CO 0.00 -0.09 -0.17 0.28 0.00 0.00 0.00 175.10 175.11 3kit s THR 216 N 1.15 1.74 0.00 3.92 -1.32 0.13 -2.37 115.64 118.88 3kit s THR 216 Ca -0.06 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 3kit s THR 216 Cb -0.20 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 3kit s THR 216 CO -0.04 -0.34 0.00 0.35 -2.21 0.00 0.00 174.62 172.38 3kit n THR 217 N 0.31 0.00 -0.09 5.08 -2.24 -1.21 0.27 114.28 116.40 3kit n THR 217 Ca -0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 3kit n THR 217 Cb 0.57 -1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 3kit n THR 217 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3kit h THR 218 N -0.18 1.30 0.00 4.28 2.02 -1.65 -3.38 112.91 115.30 3kit h THR 218 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3kit h THR 218 Cb 0.00 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3kit h THR 218 CO 0.00 0.38 -1.02 0.23 0.37 0.00 0.00 175.52 175.48 3kit n MET 219 N -4.46 0.91 -2.63 6.66 2.81 -1.26 -5.04 117.12 114.10 3kit n MET 219 Ca -0.04 -0.03 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 3kit n MET 219 Cb 0.36 -1.03 -0.03 0.00 -0.71 0.00 0.00 33.22 31.81 3kit n MET 219 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3kit s GLY 220 N -2.26 1.93 0.38 3.03 0.00 -1.26 -5.00 107.32 104.14 3kit s GLY 220 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.55 3kit s GLY 220 CO 0.15 0.12 0.28 -1.55 0.00 0.00 0.00 173.10 172.09 3kit n PRO 221 N -1.55 -2.20 -4.33 2.90 -0.04 -1.26 -3.31 135.00 125.22 3kit n PRO 221 Ca 0.04 -0.45 -0.29 0.00 -0.04 0.00 0.00 63.50 62.76 3kit n PRO 221 Cb 0.54 -0.49 -0.12 0.00 -0.04 0.00 0.00 33.50 33.39 3kit n PRO 221 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kit s SER 222 N -2.32 3.77 -0.05 3.54 1.04 -1.26 -3.82 113.70 114.59 3kit s SER 222 Ca 0.19 -0.62 0.06 0.00 0.48 0.00 0.00 55.95 56.06 3kit s SER 222 Cb -0.03 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 3kit s SER 222 CO 0.15 0.17 -0.24 -0.69 0.98 0.00 0.00 173.24 173.62 3kit s VAL 223 N -1.21 2.20 -0.17 5.02 1.01 -1.00 -4.85 120.40 121.40 3kit s VAL 223 Ca 0.18 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 3kit s VAL 223 Cb -0.10 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3kit s VAL 223 CO 0.10 0.57 1.35 -0.60 0.00 0.00 0.00 175.10 176.52 3kit s ARG 224 N -0.26 4.15 0.01 2.72 3.52 -1.26 -1.59 118.95 126.23 3kit s ARG 224 Ca -0.00 1.67 0.05 0.00 -0.13 0.00 0.00 55.73 57.32 3kit s ARG 224 Cb -0.13 -3.83 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 3kit s ARG 224 CO 0.03 -0.83 -0.14 0.96 -0.81 0.00 0.00 175.30 174.50 3kit s ILE 225 N 3.83 1.12 -0.42 4.11 -5.25 -0.74 -0.85 121.20 122.99 3kit s ILE 225 Ca 0.59 -0.74 -0.29 0.00 -0.99 0.00 0.00 60.65 59.22 3kit s ILE 225 Cb -0.23 -0.96 0.01 0.00 2.95 0.00 0.00 42.46 44.23 3kit s ILE 225 CO 0.19 0.21 1.44 0.21 -1.79 0.00 0.00 174.94 175.20 3kit s ASN 226 N -0.61 6.29 0.00 4.36 2.47 -0.50 -4.53 114.94 122.42 3kit s ASN 226 Ca 0.04 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.15 3kit s ASN 226 Cb -0.06 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3kit s ASN 226 CO 0.00 -1.47 0.44 -0.81 -3.72 0.00 0.00 177.10 171.54 3kit n PRO 227 N 8.14 0.67 0.00 0.43 -0.04 -1.26 -2.58 135.00 140.36 3kit n PRO 227 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3kit n PRO 227 Cb 0.48 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3kit n PRO 227 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kit n HIS 228 N 0.32 0.00 -1.10 0.54 8.25 -1.26 -5.06 115.22 116.91 3kit n HIS 228 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kit n HIS 228 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3kit n HIS 228 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85