#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit s ARG 4 N 0.00 3.02 -0.25 -0.72 1.81 -1.26 -1.76 118.95 119.79 3kit s ARG 4 Ca 0.00 -0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 53.55 3kit s ARG 4 Cb 0.00 -2.78 0.11 0.00 -0.45 0.00 0.00 34.95 31.84 3kit s ARG 4 CO 0.00 0.65 0.25 -1.17 -0.68 0.00 0.00 175.30 174.36 3kit s LEU 5 N -0.75 -0.14 -0.36 2.53 0.20 -0.59 -4.90 118.68 114.66 3kit s LEU 5 Ca 0.12 -0.50 -0.29 0.00 0.69 0.00 0.00 54.13 54.15 3kit s LEU 5 Cb -0.11 0.42 -0.00 0.00 -0.43 0.00 0.00 46.19 46.06 3kit s LEU 5 CO 0.02 -0.36 1.58 -0.75 -0.29 0.00 0.00 176.35 176.55 3kit s LYS 6 N 2.34 3.50 0.27 1.98 2.20 -1.26 -2.50 119.74 126.26 3kit s LYS 6 Ca 0.08 1.19 0.06 0.00 -0.36 0.00 0.00 55.97 56.94 3kit s LYS 6 Cb -0.15 -4.09 -0.03 0.00 -1.51 0.00 0.00 37.83 32.05 3kit s LYS 6 CO -0.23 -1.65 0.35 0.00 -0.36 0.00 0.00 175.35 173.46 3kit s ALA 7 N 5.97 3.93 0.31 3.13 0.00 -1.26 -4.56 121.76 129.28 3kit s ALA 7 Ca 0.69 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 51.34 3kit s ALA 7 Cb -0.18 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 3kit s ALA 7 CO 0.33 0.16 0.04 0.71 0.00 0.00 0.00 175.76 177.00 3kit s TYR 8 N -2.08 1.91 -0.22 0.00 1.51 -0.98 -3.80 117.35 113.68 3kit s TYR 8 Ca 0.37 -0.93 -0.12 0.00 -1.01 0.00 0.00 57.07 55.38 3kit s TYR 8 Cb -0.09 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 3kit s TYR 8 CO 0.29 0.02 0.23 0.71 -1.11 0.00 0.00 175.55 175.69 3kit s TYR 9 N -3.29 3.35 -0.08 2.71 4.12 -1.26 -1.53 117.35 121.37 3kit s TYR 9 Ca 0.35 0.37 -0.11 0.00 0.02 0.00 0.00 57.07 57.71 3kit s TYR 9 Cb 0.08 -2.34 -0.05 0.00 -1.52 0.00 0.00 41.96 38.13 3kit s TYR 9 CO 0.14 0.08 0.26 0.50 0.02 0.00 0.00 175.55 176.55 3kit s ARG 10 N 1.02 3.71 -0.18 -0.62 3.52 -1.09 -4.88 118.95 120.43 3kit s ARG 10 Ca 0.11 0.10 -0.20 0.00 -0.13 0.00 0.00 55.73 55.61 3kit s ARG 10 Cb -0.14 -3.23 -0.17 0.00 -1.56 0.00 0.00 34.95 29.86 3kit s ARG 10 CO 0.05 0.69 0.28 0.93 -0.81 0.00 0.00 175.30 176.44 3kit h GLU 11 N 5.04 0.00 0.00 5.12 3.07 -1.96 -3.45 114.58 122.40 3kit h GLU 11 Ca -0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3kit h GLU 11 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3kit h GLU 11 CO 0.61 0.80 0.00 0.41 -1.40 0.00 0.00 179.01 179.43 3kit n GLY 12 N 1.53 0.00 3.81 -3.84 0.00 -1.26 -5.09 105.19 100.33 3kit n GLY 12 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3kit n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kit s GLU 13 N 0.00 4.34 -0.32 1.61 0.41 -1.26 -4.94 118.70 118.54 3kit s GLU 13 Ca 0.00 1.10 -0.36 0.00 -0.41 0.00 0.00 54.97 55.31 3kit s GLU 13 Cb 0.00 -2.56 -0.12 0.00 -1.78 0.00 0.00 34.13 29.68 3kit s GLU 13 CO 0.00 0.18 2.12 1.63 -0.49 0.00 0.00 175.26 178.70 3kit n LYS 14 N 0.06 1.19 -0.17 1.61 5.02 -1.26 -4.75 118.16 119.86 3kit n LYS 14 Ca 0.03 0.35 0.25 0.00 -2.02 0.00 0.00 58.31 56.92 3kit n LYS 14 Cb 0.52 -2.45 0.66 0.00 -0.02 0.00 0.00 35.03 33.74 3kit n LYS 14 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kit h PRO 15 N 11.64 0.11 -0.35 1.97 0.13 -2.00 0.40 132.00 143.90 3kit h PRO 15 Ca -0.31 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.89 3kit h PRO 15 Cb 1.32 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 3kit h PRO 15 CO 1.01 0.07 -0.20 0.77 -0.23 0.00 0.00 178.00 179.42 3kit h SER 16 N 0.11 -0.68 0.04 1.44 0.02 -2.00 0.12 113.55 112.60 3kit h SER 16 Ca 0.41 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3kit h SER 16 Cb 1.46 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.36 3kit h SER 16 CO -0.05 -0.24 -0.02 0.00 -1.14 0.00 0.00 176.83 175.38 3kit h ALA 17 N 1.05 -0.05 -0.13 3.77 0.00 -1.29 -2.68 119.26 119.93 3kit h ALA 17 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kit h ALA 17 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kit h ALA 17 CO -0.44 -0.39 -0.13 -0.07 0.00 0.00 0.00 179.25 178.21 3kit h LEU 18 N -0.32 -0.45 -0.99 0.00 4.07 -1.03 -1.30 115.31 115.28 3kit h LEU 18 Ca -0.00 0.06 0.20 0.00 0.08 0.00 0.00 57.88 58.21 3kit h LEU 18 Cb 0.30 0.19 -0.19 0.00 1.08 0.00 0.00 40.66 42.04 3kit h LEU 18 CO 0.01 -0.08 -0.25 0.03 -1.08 0.00 0.00 178.44 177.06 3kit h ARG 19 N -0.07 -0.00 -1.22 1.13 3.08 -0.76 0.39 114.38 116.92 3kit h ARG 19 Ca 0.02 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 3kit h ARG 19 Cb 0.13 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.07 3kit h ARG 19 CO -0.16 -0.00 0.27 2.89 -1.07 0.00 0.00 179.97 181.90 3kit n ARG 20 N -5.62 1.51 0.00 0.04 1.85 -0.53 -2.21 116.66 111.70 3kit n ARG 20 Ca 0.15 -1.13 0.00 0.00 -1.00 0.00 0.00 57.85 55.87 3kit n ARG 20 Cb 0.49 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 3kit n ARG 20 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kit n ALA 21 N 0.15 0.86 0.00 2.89 0.00 0.13 -4.99 120.51 119.56 3kit n ALA 21 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3kit n ALA 21 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 3kit n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 22 N 0.42 0.55 3.89 0.00 0.00 -0.94 -5.08 105.19 104.04 3kit n GLY 22 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kit n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s LYS 23 N -0.76 3.51 -0.29 1.61 -0.14 -0.88 -0.70 119.74 122.09 3kit s LYS 23 Ca 0.00 0.39 -0.01 0.00 -1.36 0.00 0.00 55.97 54.99 3kit s LYS 23 Cb 0.00 -2.25 0.09 0.00 -1.68 0.00 0.00 37.83 33.99 3kit s LYS 23 CO 0.00 -0.39 0.09 -1.17 -0.76 0.00 0.00 175.35 173.12 3kit s LEU 24 N -4.93 1.92 0.30 3.17 0.20 0.31 -3.27 118.68 116.38 3kit s LEU 24 Ca 0.51 -1.49 -0.28 0.00 0.69 0.00 0.00 54.13 53.55 3kit s LEU 24 Cb -0.11 -0.78 -0.13 0.00 -0.43 0.00 0.00 46.19 44.74 3kit s LEU 24 CO 0.48 -0.40 1.15 -0.81 -0.29 0.00 0.00 176.35 176.49 3kit n PRO 25 N 4.91 1.69 -0.54 0.98 -0.04 -1.26 -2.51 135.00 138.24 3kit n PRO 25 Ca -0.04 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3kit n PRO 25 Cb 0.43 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3kit n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kit n GLY 26 N 1.17 2.84 3.54 0.55 0.00 -1.02 -0.93 105.19 111.33 3kit n GLY 26 Ca 0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 3kit n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s VAL 27 N -2.78 -0.48 -0.17 1.61 0.11 -0.96 -2.37 120.40 115.36 3kit s VAL 27 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3kit s VAL 27 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3kit s VAL 27 CO 0.00 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 171.88 3kit s MET 28 N 2.26 3.89 0.24 1.54 0.23 -0.53 -2.14 119.30 124.79 3kit s MET 28 Ca -0.05 -0.24 -0.22 0.00 -1.03 0.00 0.00 55.69 54.14 3kit s MET 28 Cb -0.07 -3.27 0.04 0.00 -1.53 0.00 0.00 34.83 30.00 3kit s MET 28 CO -0.18 0.43 0.84 1.52 -2.03 0.00 0.00 175.02 175.60 3kit s TYR 29 N -0.03 -0.11 0.00 3.16 -0.85 -0.87 0.02 117.35 118.67 3kit s TYR 29 Ca 0.08 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 3kit s TYR 29 Cb -0.12 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.92 3kit s TYR 29 CO 0.00 -1.10 0.00 0.27 -1.52 0.00 0.00 175.55 173.20 3kit n ASN 30 N -0.62 0.00 0.00 -0.18 6.94 0.21 -2.33 115.26 119.28 3kit n ASN 30 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 3kit n ASN 30 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 3kit n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3kit n ARG 31 N -0.24 0.00 -0.08 -3.83 1.85 -1.26 -0.19 116.66 112.91 3kit n ARG 31 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 3kit n ARG 31 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 3kit n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3kit n HIS 32 N -2.31 0.00 -3.18 2.89 8.25 -1.26 -5.07 115.22 114.54 3kit n HIS 32 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 3kit n HIS 32 Cb 0.00 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.52 3kit n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kit s LEU 33 N -7.03 3.78 -0.30 2.41 2.96 0.74 -5.09 118.68 116.15 3kit s LEU 33 Ca -0.24 0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 3kit s LEU 33 Cb 0.09 -3.03 0.18 0.00 0.50 0.00 0.00 46.19 43.93 3kit s LEU 33 CO 0.31 -0.58 1.10 0.21 -1.32 0.00 0.00 176.35 176.07 3kit s ASN 34 N -4.19 -0.25 -0.00 3.68 3.84 -1.25 0.68 114.94 117.45 3kit s ASN 34 Ca 0.47 0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.57 3kit s ASN 34 Cb -0.10 1.06 -0.01 0.00 -0.55 0.00 0.00 41.25 41.66 3kit s ASN 34 CO 0.35 -0.04 -0.09 -0.13 -2.79 0.00 0.00 177.10 174.40 3kit s ARG 35 N 2.86 0.70 -0.20 0.43 1.81 0.10 -4.97 118.95 119.68 3kit s ARG 35 Ca 0.29 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.66 3kit s ARG 35 Cb -0.00 -0.67 -0.00 0.00 -0.45 0.00 0.00 34.95 33.83 3kit s ARG 35 CO -0.22 0.18 1.18 -1.59 -0.68 0.00 0.00 175.30 174.17 3kit s LYS 36 N -0.29 4.22 0.54 3.54 -2.85 -1.26 -1.45 119.74 122.18 3kit s LYS 36 Ca 0.03 1.51 0.06 0.00 -1.00 0.00 0.00 55.97 56.57 3kit s LYS 36 Cb -0.04 -3.73 0.04 0.00 -2.06 0.00 0.00 37.83 32.05 3kit s LYS 36 CO -0.00 -0.71 0.46 0.14 0.10 0.00 0.00 175.35 175.33 3kit s VAL 37 N 3.46 1.78 -0.30 1.79 -7.23 -1.00 -2.69 120.40 116.21 3kit s VAL 37 Ca 0.51 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 3kit s VAL 37 Cb -0.19 -2.20 0.20 0.00 0.56 0.00 0.00 36.38 34.75 3kit s VAL 37 CO 0.12 0.00 0.62 -0.72 -0.31 0.00 0.00 175.10 174.81 3kit s TYR 38 N -2.74 -1.77 0.12 2.82 -0.85 -0.58 -2.43 117.35 111.93 3kit s TYR 38 Ca 0.39 0.94 0.01 0.00 -0.52 0.00 0.00 57.07 57.89 3kit s TYR 38 Cb -0.03 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3kit s TYR 38 CO 0.24 -1.05 0.28 0.54 -1.52 0.00 0.00 175.55 174.04 3kit s VAL 39 N 2.72 5.33 0.46 -3.49 0.11 -1.04 -2.33 120.40 122.16 3kit s VAL 39 Ca 0.12 -0.51 -0.23 0.00 -2.93 0.00 0.00 61.98 58.43 3kit s VAL 39 Cb -0.09 -3.70 -0.07 0.00 -1.53 0.00 0.00 36.38 30.99 3kit s VAL 39 CO -0.24 -0.01 1.18 -0.62 -3.33 0.00 0.00 175.10 172.08 3kit s ASP 40 N -2.94 6.11 -0.11 3.54 -1.08 -1.26 0.11 116.67 121.05 3kit s ASP 40 Ca 0.35 2.34 -0.05 0.00 -0.52 0.00 0.00 52.55 54.67 3kit s ASP 40 Cb -0.12 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 3kit s ASP 40 CO 0.28 -0.96 0.09 0.25 0.52 0.00 0.00 175.17 175.35 3kit h LEU 41 N 2.01 0.00 -1.05 -1.34 7.12 -1.17 -3.19 115.31 117.70 3kit h LEU 41 Ca -0.49 -0.14 0.28 0.00 0.13 0.00 0.00 57.88 57.66 3kit h LEU 41 Cb 1.25 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 41.25 3kit h LEU 41 CO 0.60 0.60 0.60 1.62 -0.13 0.00 0.00 178.44 181.73 3kit h VAL 42 N -1.00 0.43 -0.00 1.05 3.04 -1.95 0.52 116.25 118.34 3kit h VAL 42 Ca -0.01 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 3kit h VAL 42 Cb 0.20 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 3kit h VAL 42 CO -0.00 0.08 -0.54 -1.84 -1.01 0.00 0.00 177.57 174.26 3kit n GLU 43 N -4.92 0.22 0.04 4.17 0.28 -1.26 -3.36 120.64 115.81 3kit n GLU 43 Ca 0.29 -0.14 -0.12 0.00 -0.16 0.00 0.00 57.16 57.02 3kit n GLU 43 Cb 0.87 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.11 3kit n GLU 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3kit h PHE 44 N 0.35 0.22 0.73 -1.84 3.04 -0.94 -3.00 116.94 115.50 3kit h PHE 44 Ca 0.00 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.75 3kit h PHE 44 Cb 0.51 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.02 3kit h PHE 44 CO 0.00 1.19 -0.35 0.22 -2.02 0.00 0.00 178.31 177.35 3kit h ASP 45 N 0.03 -0.83 -0.99 0.41 -0.00 -1.31 0.76 116.42 114.50 3kit h ASP 45 Ca -0.18 0.01 0.16 0.00 -0.00 0.00 0.00 57.03 57.01 3kit h ASP 45 Cb 1.94 0.21 -0.16 0.00 -0.00 0.00 0.00 39.33 41.33 3kit h ASP 45 CO 0.13 -0.53 -0.38 0.50 -0.00 0.00 0.00 179.24 178.96 3kit h LYS 46 N -1.08 -0.01 0.18 0.28 3.64 -1.64 0.46 116.57 118.41 3kit h LYS 46 Ca -0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3kit h LYS 46 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kit h LYS 46 CO 0.16 -0.00 -0.09 0.28 -2.27 0.00 0.00 179.45 177.53 3kit h VAL 47 N -0.01 0.00 -0.36 2.00 2.07 -1.34 -3.19 116.25 115.43 3kit h VAL 47 Ca 0.35 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.89 3kit h VAL 47 Cb 0.60 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3kit h VAL 47 CO -0.98 0.00 0.65 0.15 0.02 0.00 0.00 177.57 177.41 3kit h PHE 48 N -0.33 0.00 -0.23 1.57 3.04 0.96 0.51 116.94 122.47 3kit h PHE 48 Ca -0.02 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.98 3kit h PHE 48 Cb 0.18 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.63 3kit h PHE 48 CO 0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 178.31 176.23 3kit h ARG 49 N 0.00 -0.16 0.01 1.11 2.47 -0.08 0.15 114.38 117.88 3kit h ARG 49 Ca 0.17 0.01 -0.40 0.00 -1.26 0.00 0.00 59.98 58.50 3kit h ARG 49 Cb 1.47 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.76 3kit h ARG 49 CO -0.00 -0.11 -2.44 1.04 0.56 0.00 0.00 179.97 179.03 3kit n GLN 50 N -5.33 0.64 0.02 0.04 6.02 -0.35 -4.57 117.38 113.86 3kit n GLN 50 Ca -0.01 0.19 -0.13 0.00 -0.01 0.00 0.00 57.00 57.04 3kit n GLN 50 Cb 0.24 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 3kit n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kit h ALA 51 N -0.20 -0.60 -0.69 -1.58 0.00 -0.10 -3.47 119.26 112.62 3kit h ALA 51 Ca -0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kit h ALA 51 Cb 1.84 0.75 0.00 0.00 0.00 0.00 0.00 17.79 20.38 3kit h ALA 51 CO -0.15 -0.92 0.00 0.45 0.00 0.00 0.00 179.25 178.63 3kit n SER 52 N -5.44 0.00 -0.74 0.00 2.88 0.53 -3.10 113.62 107.75 3kit n SER 52 Ca -0.05 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.53 3kit n SER 52 Cb 0.36 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.03 3kit n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3kit n ILE 53 N 0.00 2.29 -0.04 2.46 -6.64 -1.26 -4.55 119.36 111.62 3kit n ILE 53 Ca 0.00 -3.16 -0.04 0.00 -1.77 0.00 0.00 62.75 57.78 3kit n ILE 53 Cb 0.00 -0.27 -0.06 0.00 -1.44 0.00 0.00 39.64 37.88 3kit n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3kit n HIS 54 N -1.12 0.00 -3.66 4.28 -0.00 -1.23 -4.43 115.22 109.06 3kit n HIS 54 Ca 0.22 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.71 3kit n HIS 54 Cb 0.77 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.99 30.39 3kit n HIS 54 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3kit s HIS 55 N -2.17 2.15 -0.09 4.41 3.76 -1.18 -4.91 115.29 117.26 3kit s HIS 55 Ca -0.04 -0.66 -0.06 0.00 -0.15 0.00 0.00 55.06 54.16 3kit s HIS 55 Cb 0.02 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 3kit s HIS 55 CO 0.29 -0.35 0.14 0.08 -0.85 0.00 0.00 174.74 174.05 3kit s VAL 56 N -2.62 5.39 0.46 -0.90 1.01 -1.26 -4.77 120.40 117.71 3kit s VAL 56 Ca 0.44 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.55 3kit s VAL 56 Cb -0.03 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3kit s VAL 56 CO 0.26 0.55 0.11 -0.63 0.00 0.00 0.00 175.10 175.40 3kit s ILE 57 N -1.08 1.80 0.02 2.22 1.09 -1.15 -4.42 121.20 119.68 3kit s ILE 57 Ca 0.18 -1.84 0.00 0.00 -1.10 0.00 0.00 60.65 57.89 3kit s ILE 57 Cb -0.12 -2.64 -0.02 0.00 -1.06 0.00 0.00 42.46 38.62 3kit s ILE 57 CO 0.07 0.00 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.19 3kit s VAL 58 N -2.73 0.12 -0.24 2.92 1.01 -0.72 -2.55 120.40 118.20 3kit s VAL 58 Ca 0.28 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kit s VAL 58 Cb 0.04 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.21 3kit s VAL 58 CO 0.15 -0.40 -0.08 -0.76 0.00 0.00 0.00 175.10 174.02 3kit s LEU 59 N -1.19 3.11 -1.17 3.92 1.43 -1.25 -1.54 118.68 122.00 3kit s LEU 59 Ca -0.13 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.03 3kit s LEU 59 Cb -0.08 -1.64 0.24 0.00 0.03 0.00 0.00 46.19 44.74 3kit s LEU 59 CO -0.01 -0.12 1.80 -0.62 0.23 0.00 0.00 176.35 177.63 3kit n GLU 60 N 4.64 4.45 -2.32 1.70 1.02 -1.04 -3.79 120.64 125.30 3kit n GLU 60 Ca -0.17 -4.12 -0.35 0.00 -0.02 0.00 0.00 57.16 52.51 3kit n GLU 60 Cb 0.47 -2.64 -0.01 0.00 -0.02 0.00 0.00 31.44 29.25 3kit n GLU 60 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3kit s LEU 61 N -2.25 3.77 0.23 -4.62 2.34 -1.25 -4.02 118.68 112.88 3kit s LEU 61 Ca 0.38 2.13 0.06 0.00 0.06 0.00 0.00 54.13 56.77 3kit s LEU 61 Cb 0.11 -4.57 0.35 0.00 -0.56 0.00 0.00 46.19 41.52 3kit s LEU 61 CO 0.00 -1.12 1.01 -2.65 -1.06 0.00 0.00 176.35 172.53 3kit n PRO 62 N -1.22 0.05 -0.08 1.48 -0.02 -1.26 -0.19 135.00 133.76 3kit n PRO 62 Ca 0.11 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 3kit n PRO 62 Cb 0.51 -2.04 0.22 0.00 -0.02 0.00 0.00 33.50 32.17 3kit n PRO 62 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kit n ASP 63 N -1.73 0.97 0.00 2.55 3.85 -1.26 -4.89 116.55 116.03 3kit n ASP 63 Ca -0.00 -1.84 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 3kit n ASP 63 Cb 0.40 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 3kit n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kit n GLY 64 N 0.86 2.71 2.96 6.12 0.00 0.74 -5.01 105.19 113.57 3kit n GLY 64 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3kit n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kit n GLN 65 N -0.52 -0.94 -3.64 1.61 6.02 -1.25 -4.81 117.38 113.85 3kit n GLN 65 Ca 0.00 -0.27 -0.11 0.00 -0.01 0.00 0.00 57.00 56.61 3kit n GLN 65 Cb 0.00 -1.24 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 3kit n GLN 65 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kit s SER 66 N -1.42 -0.82 0.12 1.08 0.01 -1.25 -4.10 113.70 107.33 3kit s SER 66 Ca 0.27 1.42 0.03 0.00 1.31 0.00 0.00 55.95 58.99 3kit s SER 66 Cb -0.01 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.55 3kit s SER 66 CO 0.35 -0.24 -0.09 -0.76 0.41 0.00 0.00 173.24 172.92 3kit s LEU 67 N 1.01 2.50 -1.09 2.44 2.01 -1.25 -4.91 118.68 119.39 3kit s LEU 67 Ca -0.05 -0.97 -0.21 0.00 0.01 0.00 0.00 54.13 52.92 3kit s LEU 67 Cb -0.05 -0.24 0.07 0.00 0.01 0.00 0.00 46.19 45.98 3kit s LEU 67 CO -0.09 -0.36 1.49 -2.16 1.01 0.00 0.00 176.35 176.23 3kit s PRO 68 N -3.57 3.72 0.09 1.29 0.04 -1.26 -3.96 135.00 131.36 3kit s PRO 68 Ca 0.13 -1.50 -0.01 0.00 0.04 0.00 0.00 61.00 59.65 3kit s PRO 68 Cb 0.02 -5.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.18 3kit s PRO 68 CO -0.01 -2.15 0.27 0.95 0.04 0.00 0.00 177.00 176.10 3kit s THR 69 N 4.33 5.32 -0.26 1.26 -4.23 -1.06 0.14 115.64 121.13 3kit s THR 69 Ca 0.46 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3kit s THR 69 Cb 0.00 -3.64 0.15 0.00 1.34 0.00 0.00 72.50 70.35 3kit s THR 69 CO -0.05 0.08 0.40 -0.76 -0.54 0.00 0.00 174.62 173.76 3kit s LEU 70 N -2.63 -0.73 0.10 4.79 1.43 -0.89 -2.93 118.68 117.83 3kit s LEU 70 Ca 0.37 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.17 3kit s LEU 70 Cb -0.13 1.16 -0.10 0.00 0.03 0.00 0.00 46.19 47.15 3kit s LEU 70 CO 0.27 -0.32 1.81 -0.69 0.23 0.00 0.00 176.35 177.65 3kit s VAL 71 N 2.56 2.72 -1.51 -1.59 1.01 -1.26 -2.02 120.40 120.31 3kit s VAL 71 Ca 0.12 0.14 0.12 0.00 0.00 0.00 0.00 61.98 62.36 3kit s VAL 71 Cb -0.14 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.24 3kit s VAL 71 CO -0.22 -0.00 0.88 0.54 0.00 0.00 0.00 175.10 176.30 3kit n ARG 72 N 5.96 0.76 -3.64 2.72 5.12 -0.47 -4.70 116.66 122.41 3kit n ARG 72 Ca 0.18 -1.20 -0.04 0.00 -1.93 0.00 0.00 57.85 54.86 3kit n ARG 72 Cb 0.39 -1.23 -0.07 0.00 -1.16 0.00 0.00 32.46 30.39 3kit n ARG 72 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3kit s GLN 73 N -1.04 0.34 -0.20 5.56 0.74 -1.26 -5.02 119.66 118.78 3kit s GLN 73 Ca 0.14 0.51 -0.02 0.00 0.05 0.00 0.00 55.36 56.04 3kit s GLN 73 Cb 0.10 0.11 0.06 0.00 1.10 0.00 0.00 33.01 34.37 3kit s GLN 73 CO 0.16 -0.06 -0.00 0.08 -0.55 0.00 0.00 175.29 174.92 3kit s VAL 74 N 0.88 0.86 -0.06 1.34 1.01 -1.26 -1.86 120.40 121.31 3kit s VAL 74 Ca -0.04 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 3kit s VAL 74 Cb -0.04 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 3kit s VAL 74 CO -0.12 -0.12 0.57 0.20 0.00 0.00 0.00 175.10 175.63 3kit s ASN 75 N 1.71 6.87 -0.05 3.32 0.01 -1.10 -4.99 114.94 120.70 3kit s ASN 75 Ca -0.02 1.04 0.06 0.00 -0.71 0.00 0.00 52.86 53.23 3kit s ASN 75 Cb -0.17 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 3kit s ASN 75 CO -0.07 0.02 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.55 3kit s LEU 76 N 0.32 2.21 -0.70 0.60 1.43 -1.26 -0.02 118.68 121.26 3kit s LEU 76 Ca 0.31 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 3kit s LEU 76 Cb -0.17 -1.41 -0.13 0.00 0.03 0.00 0.00 46.19 44.51 3kit s LEU 76 CO 0.15 0.27 2.42 -0.67 0.23 0.00 0.00 176.35 178.75 3kit n ASP 77 N 2.78 1.72 -0.04 2.29 2.03 0.89 -4.76 116.55 121.45 3kit n ASP 77 Ca -0.17 -0.98 0.02 0.00 0.52 0.00 0.00 54.79 54.18 3kit n ASP 77 Cb 0.52 -1.53 0.05 0.00 -0.72 0.00 0.00 41.12 39.43 3kit n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kit n LYS 78 N 8.66 -0.01 -3.47 -0.67 4.76 -1.26 -3.86 118.16 122.31 3kit n LYS 78 Ca 0.45 0.18 -0.38 0.00 -2.87 0.00 0.00 58.31 55.70 3kit n LYS 78 Cb 0.44 -0.30 -0.08 0.00 -1.84 0.00 0.00 35.03 33.25 3kit n LYS 78 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3kit s ARG 79 N -4.66 4.14 -0.56 1.97 1.70 -1.26 -4.37 118.95 115.91 3kit s ARG 79 Ca -0.01 0.06 -0.03 0.00 -0.47 0.00 0.00 55.73 55.28 3kit s ARG 79 Cb 0.04 -3.54 -0.03 0.00 -0.57 0.00 0.00 34.95 30.85 3kit s ARG 79 CO 0.10 -0.01 0.50 0.54 -1.08 0.00 0.00 175.30 175.35 3kit n ARG 80 N 4.41 -1.17 0.00 3.89 5.12 -1.25 -4.66 116.66 123.00 3kit n ARG 80 Ca -0.10 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 3kit n ARG 80 Cb 0.51 -3.95 0.00 0.00 -1.16 0.00 0.00 32.46 27.87 3kit n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3kit n ARG 81 N -2.27 0.00 -3.79 5.56 1.85 -1.25 -4.84 116.66 111.91 3kit n ARG 81 Ca -0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.69 3kit n ARG 81 Cb 0.55 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.83 3kit n ARG 81 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kit s ARG 82 N 0.00 0.15 0.11 2.89 3.52 -1.26 -4.98 118.95 119.38 3kit s ARG 82 Ca 0.00 0.28 -0.31 0.00 -0.13 0.00 0.00 55.73 55.57 3kit s ARG 82 Cb 0.00 -0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.29 3kit s ARG 82 CO 0.00 -0.07 1.66 -2.14 -0.81 0.00 0.00 175.30 173.94 3kit s PRO 83 N 0.48 4.19 -0.20 5.12 0.02 -1.26 -0.08 135.00 143.27 3kit s PRO 83 Ca -0.03 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 3kit s PRO 83 Cb -0.05 -3.46 -0.07 0.00 0.02 0.00 0.00 34.50 30.93 3kit s PRO 83 CO -0.02 -0.72 -0.34 0.39 -0.33 0.00 0.00 177.00 175.98 3kit n GLU 84 N 5.13 0.54 -4.27 5.54 1.02 0.98 -4.84 120.64 124.75 3kit n GLU 84 Ca 0.16 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.32 3kit n GLU 84 Cb 0.39 -1.46 -0.16 0.00 -0.02 0.00 0.00 31.44 30.19 3kit n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3kit s HIS 85 N -2.78 0.97 0.04 -0.32 5.04 -1.19 -4.07 115.29 112.99 3kit s HIS 85 Ca -0.31 -0.32 -0.08 0.00 -1.54 0.00 0.00 55.06 52.82 3kit s HIS 85 Cb 0.07 -0.80 -0.05 0.00 0.04 0.00 0.00 32.58 31.83 3kit s HIS 85 CO 0.44 -0.23 0.33 0.08 -2.34 0.00 0.00 174.74 173.02 3kit s VAL 86 N 0.89 5.21 -0.28 0.89 1.01 -0.11 -2.71 120.40 125.30 3kit s VAL 86 Ca -0.11 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3kit s VAL 86 Cb -0.15 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.68 3kit s VAL 86 CO 0.01 0.33 -0.06 -1.81 0.00 0.00 0.00 175.10 173.57 3kit s ASP 87 N -1.75 4.66 -0.26 3.32 1.11 -0.77 -2.27 116.67 120.71 3kit s ASP 87 Ca 0.30 -1.32 -0.12 0.00 0.18 0.00 0.00 52.55 51.59 3kit s ASP 87 Cb -0.13 -1.63 -0.05 0.00 1.07 0.00 0.00 42.92 42.18 3kit s ASP 87 CO 0.17 -0.22 0.23 -0.36 1.18 0.00 0.00 175.17 176.17 3kit s PHE 88 N 1.18 3.26 -0.14 4.23 2.99 -0.91 -1.37 117.98 127.22 3kit s PHE 88 Ca -0.07 0.23 -0.12 0.00 0.00 0.00 0.00 56.93 56.97 3kit s PHE 88 Cb -0.20 -2.39 -0.05 0.00 0.00 0.00 0.00 43.02 40.38 3kit s PHE 88 CO -0.03 -0.10 0.26 0.12 -0.00 0.00 0.00 175.22 175.47 3kit s PHE 89 N 1.58 3.51 -0.17 0.36 5.99 -0.85 -2.04 117.98 126.35 3kit s PHE 89 Ca 0.09 0.60 -0.12 0.00 0.00 0.00 0.00 56.93 57.50 3kit s PHE 89 Cb -0.15 -2.25 -0.05 0.00 0.00 0.00 0.00 43.02 40.57 3kit s PHE 89 CO 0.09 0.37 0.23 0.08 -0.00 0.00 0.00 175.22 175.99 3kit s VAL 90 N 0.03 5.35 0.11 3.12 1.01 -0.98 -2.08 120.40 126.95 3kit s VAL 90 Ca 0.16 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 3kit s VAL 90 Cb -0.13 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3kit s VAL 90 CO 0.04 0.41 0.46 -0.76 0.00 0.00 0.00 175.10 175.26 3kit s LEU 91 N 0.40 4.34 0.00 3.92 1.43 0.36 -4.76 118.68 124.36 3kit s LEU 91 Ca 0.13 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 3kit s LEU 91 Cb -0.12 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.98 3kit s LEU 91 CO 0.02 0.14 0.00 -1.54 0.23 0.00 0.00 176.35 175.19 3kit n SER 92 N 0.82 0.00 0.00 2.29 3.41 -1.26 -4.65 113.62 114.23 3kit n SER 92 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3kit n SER 92 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kit n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kit n ASP 93 N -0.62 0.00 -4.28 4.04 5.75 -1.26 -4.90 116.55 115.29 3kit n ASP 93 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 3kit n ASP 93 Cb 0.00 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.26 3kit n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kit n GLU 94 N -0.97 -1.50 -1.90 0.11 1.02 -1.26 -3.98 120.64 112.15 3kit n GLU 94 Ca 0.00 -0.42 -0.30 0.00 -0.02 0.00 0.00 57.16 56.42 3kit n GLU 94 Cb 0.00 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 3kit n GLU 94 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kit s PRO 95 N -3.42 2.37 0.26 3.49 0.04 -1.26 -3.97 135.00 132.51 3kit s PRO 95 Ca 0.56 0.36 -0.24 0.00 0.04 0.00 0.00 61.00 61.71 3kit s PRO 95 Cb -0.12 -4.73 -0.09 0.00 0.04 0.00 0.00 34.50 29.60 3kit s PRO 95 CO 0.66 -3.32 0.85 0.54 0.04 0.00 0.00 177.00 175.77 3kit s VAL 96 N 10.78 4.35 0.28 -0.36 0.11 -1.26 -4.54 120.40 129.76 3kit s VAL 96 Ca 0.76 1.63 -0.14 0.00 -2.93 0.00 0.00 61.98 61.31 3kit s VAL 96 Cb -0.11 -3.99 -0.08 0.00 -1.53 0.00 0.00 36.38 30.67 3kit s VAL 96 CO 0.11 0.23 0.67 -1.61 -3.33 0.00 0.00 175.10 171.17 3kit s GLU 97 N -1.87 3.97 0.08 1.54 2.02 -1.26 -1.87 118.70 121.30 3kit s GLU 97 Ca 0.45 0.57 -0.19 0.00 0.02 0.00 0.00 54.97 55.82 3kit s GLU 97 Cb -0.19 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.55 3kit s GLU 97 CO 0.23 0.24 0.87 0.00 0.02 0.00 0.00 175.26 176.63 3kit n MET 98 N -0.14 0.36 -3.92 1.61 0.00 0.22 -4.97 117.12 110.28 3kit n MET 98 Ca 0.02 -0.93 -0.35 0.00 0.00 0.00 0.00 57.70 56.44 3kit n MET 98 Cb 0.53 1.33 -0.14 0.00 0.00 0.00 0.00 33.22 34.94 3kit n MET 98 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kit s TYR 99 N -2.70 2.99 -0.26 3.17 1.51 -1.26 0.20 117.35 120.98 3kit s TYR 99 Ca 0.20 -1.12 -0.09 0.00 -1.01 0.00 0.00 57.07 55.05 3kit s TYR 99 Cb -0.02 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 3kit s TYR 99 CO 0.02 -0.61 0.11 0.08 -1.11 0.00 0.00 175.55 174.05 3kit s VAL 100 N 1.44 4.64 1.22 0.71 1.01 0.13 -4.33 120.40 125.21 3kit s VAL 100 Ca 0.04 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 3kit s VAL 100 Cb -0.15 -3.20 0.26 0.00 0.00 0.00 0.00 36.38 33.28 3kit s VAL 100 CO -0.04 0.28 0.57 -0.81 0.00 0.00 0.00 175.10 175.11 3kit n PRO 101 N 4.97 -3.14 -4.13 2.72 -0.04 -1.26 -1.21 135.00 132.90 3kit n PRO 101 Ca -0.15 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.29 3kit n PRO 101 Cb 0.51 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 32.10 3kit n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kit s LEU 102 N -4.09 2.48 -0.20 1.53 1.43 -1.26 -3.25 118.68 115.33 3kit s LEU 102 Ca 0.56 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3kit s LEU 102 Cb -0.12 0.01 0.05 0.00 0.03 0.00 0.00 46.19 46.16 3kit s LEU 102 CO 0.52 -0.48 -0.06 -0.13 0.23 0.00 0.00 176.35 176.42 3kit s ARG 103 N -3.62 1.63 -1.20 1.70 0.52 -0.68 -4.85 118.95 112.46 3kit s ARG 103 Ca 0.08 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.40 3kit s ARG 103 Cb 0.05 -2.29 0.16 0.00 0.52 0.00 0.00 34.95 33.38 3kit s ARG 103 CO -0.06 -0.48 1.44 -0.06 0.02 0.00 0.00 175.30 176.16 3kit s PHE 104 N 1.51 3.40 0.18 -0.53 0.08 -1.26 -2.13 117.98 119.23 3kit s PHE 104 Ca -0.02 -2.03 -0.29 0.00 0.12 0.00 0.00 56.93 54.71 3kit s PHE 104 Cb -0.17 -4.36 -0.08 0.00 -0.57 0.00 0.00 43.02 37.85 3kit s PHE 104 CO -0.07 -1.44 0.92 0.54 -0.10 0.00 0.00 175.22 175.07 3kit s VAL 105 N 1.92 4.27 0.00 -0.44 0.11 -1.24 -4.90 120.40 120.12 3kit s VAL 105 Ca 0.43 2.03 0.00 0.00 -2.93 0.00 0.00 61.98 61.51 3kit s VAL 105 Cb -0.02 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 3kit s VAL 105 CO 0.00 0.44 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 3kit n GLY 106 N 1.79 1.39 3.46 6.54 0.00 -1.23 -2.94 105.19 114.21 3kit n GLY 106 Ca -0.01 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3kit n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kit s THR 107 N -2.71 4.82 0.88 2.61 2.01 -1.24 -4.68 115.64 117.32 3kit s THR 107 Ca 0.00 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 3kit s THR 107 Cb 0.00 -4.31 0.08 0.00 0.01 0.00 0.00 72.50 68.28 3kit s THR 107 CO 0.00 -0.81 0.93 -0.81 -0.69 0.00 0.00 174.62 173.24 3kit n PRO 108 N 6.32 -0.15 0.27 4.92 -0.04 -1.25 -4.69 135.00 140.37 3kit n PRO 108 Ca -0.05 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.26 3kit n PRO 108 Cb 0.46 -2.22 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 3kit n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kit h ALA 109 N -1.38 -0.88 -0.71 0.55 0.00 -1.11 -3.13 119.26 112.60 3kit h ALA 109 Ca -0.44 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.38 3kit h ALA 109 Cb 1.29 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.54 3kit h ALA 109 CO 0.41 -1.03 -0.42 0.41 0.00 0.00 0.00 179.25 178.62 3kit n GLY 110 N -1.50 -2.44 3.56 0.00 0.00 0.27 -3.45 105.19 101.64 3kit n GLY 110 Ca -0.11 0.95 -0.14 0.00 0.00 0.00 0.00 46.02 46.72 3kit n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kit s VAL 111 N -4.93 3.02 0.00 1.61 1.01 -1.18 0.74 120.40 120.67 3kit s VAL 111 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3kit s VAL 111 Cb 0.08 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3kit s VAL 111 CO 0.44 -0.04 0.00 -1.14 0.00 0.00 0.00 175.10 174.36 3kit n ARG 112 N 8.83 0.00 0.00 2.72 0.00 -1.22 -4.73 116.66 122.26 3kit n ARG 112 Ca 0.46 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.43 3kit n ARG 112 Cb 0.43 0.00 0.23 0.00 0.00 0.00 0.00 32.46 33.13 3kit n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kit n ALA 113 N 0.00 3.53 0.00 5.13 0.00 0.23 -4.91 120.51 124.48 3kit n ALA 113 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3kit n ALA 113 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3kit n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 114 N 1.44 1.95 0.00 0.00 0.00 -1.16 -5.10 105.19 102.32 3kit n GLY 114 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kit n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 115 N -0.96 1.62 3.05 -0.02 0.00 -1.20 -4.21 105.19 103.47 3kit n GLY 115 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 3kit n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kit s VAL 116 N 1.11 0.01 -0.11 1.61 1.01 -0.90 -4.48 120.40 118.66 3kit s VAL 116 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 3kit s VAL 116 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3kit s VAL 116 CO 0.00 -0.06 0.76 -0.22 0.00 0.00 0.00 175.10 175.58 3kit s LEU 117 N -0.15 4.26 -0.33 3.92 2.96 -1.26 -1.74 118.68 126.33 3kit s LEU 117 Ca -0.02 1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 3kit s LEU 117 Cb -0.02 -3.15 0.05 0.00 0.50 0.00 0.00 46.19 43.57 3kit s LEU 117 CO 0.00 -0.24 0.08 -1.58 -1.32 0.00 0.00 176.35 173.29 3kit s GLN 118 N 1.37 2.47 -0.01 1.98 0.74 0.35 -4.97 119.66 121.59 3kit s GLN 118 Ca 0.38 -1.30 -0.00 0.00 0.05 0.00 0.00 55.36 54.49 3kit s GLN 118 Cb -0.17 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 3kit s GLN 118 CO 0.16 -0.70 0.69 -0.85 -0.55 0.00 0.00 175.29 174.05 3kit n GLU 119 N 4.71 0.10 0.00 1.67 0.28 -1.26 -2.21 120.64 123.93 3kit n GLU 119 Ca -0.12 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 3kit n GLU 119 Cb 0.44 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.73 3kit n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3kit n ILE 120 N 3.17 0.29 0.00 3.84 2.08 -1.26 -3.10 119.36 124.38 3kit n ILE 120 Ca 0.02 0.37 0.00 0.00 0.56 0.00 0.00 62.75 63.70 3kit n ILE 120 Cb 0.04 -1.37 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 3kit n ILE 120 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 3kit n HIS 121 N -0.97 0.00 0.00 1.39 -0.00 -0.87 -4.78 115.22 110.00 3kit n HIS 121 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3kit n HIS 121 Cb 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 3kit n HIS 121 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3kit n ARG 122 N 0.00 0.00 -3.28 1.57 1.85 -1.18 -4.38 116.66 111.25 3kit n ARG 122 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 3kit n ARG 122 Cb 0.00 -1.37 -0.04 0.00 -1.05 0.00 0.00 32.46 30.00 3kit n ARG 122 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3kit s ASP 123 N 2.30 -0.33 -0.06 2.89 2.15 -1.26 -4.08 116.67 118.28 3kit s ASP 123 Ca 0.00 0.42 0.05 0.00 0.43 0.00 0.00 52.55 53.45 3kit s ASP 123 Cb 0.00 1.36 -0.02 0.00 -0.30 0.00 0.00 42.92 43.97 3kit s ASP 123 CO 0.00 -0.06 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.10 3kit s ILE 124 N 2.33 2.47 0.27 4.11 1.01 -0.35 -4.89 121.20 126.14 3kit s ILE 124 Ca -0.01 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3kit s ILE 124 Cb -0.04 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.41 3kit s ILE 124 CO -0.16 0.57 1.02 -0.22 0.00 0.00 0.00 174.94 176.15 3kit s LEU 125 N -0.34 4.57 0.28 2.97 2.96 -1.25 0.20 118.68 128.06 3kit s LEU 125 Ca 0.02 2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 55.92 3kit s LEU 125 Cb -0.12 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3kit s LEU 125 CO 0.02 -0.02 0.50 0.68 -1.32 0.00 0.00 176.35 176.22 3kit s VAL 126 N -1.21 0.00 -0.09 1.68 -7.23 0.13 -1.66 120.40 112.02 3kit s VAL 126 Ca 0.44 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 3kit s VAL 126 Cb -0.28 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.31 3kit s VAL 126 CO 0.36 0.00 -0.13 -1.59 -0.31 0.00 0.00 175.10 173.43 3kit s LYS 127 N -3.66 1.89 -0.30 4.82 -2.85 -1.22 -0.61 119.74 117.81 3kit s LYS 127 Ca 0.24 -0.45 -0.17 0.00 -1.00 0.00 0.00 55.97 54.59 3kit s LYS 127 Cb -0.01 -1.64 0.17 0.00 -2.06 0.00 0.00 37.83 34.29 3kit s LYS 127 CO 0.12 -0.06 1.20 0.54 0.10 0.00 0.00 175.35 177.25 3kit s VAL 128 N 0.97 -0.11 0.41 1.79 0.11 -0.78 -3.82 120.40 118.97 3kit s VAL 128 Ca -0.08 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 3kit s VAL 128 Cb -0.15 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.61 3kit s VAL 128 CO -0.00 0.00 -0.24 -1.54 -3.33 0.00 0.00 175.10 169.98 3kit n SER 129 N 5.44 -2.72 0.14 3.54 3.41 -1.25 -4.37 113.62 117.81 3kit n SER 129 Ca -0.09 0.26 0.06 0.00 -0.26 0.00 0.00 58.87 58.84 3kit n SER 129 Cb 0.55 -0.47 0.32 0.00 -0.26 0.00 0.00 64.21 64.35 3kit n SER 129 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kit n PRO 130 N 1.12 0.08 0.04 4.33 -0.02 -1.26 -2.10 135.00 137.20 3kit n PRO 130 Ca 0.02 0.53 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3kit n PRO 130 Cb 0.29 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 3kit n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kit h ARG 131 N 0.00 -0.19 -4.60 -0.52 3.08 -1.88 -3.38 114.38 106.89 3kit h ARG 131 Ca 0.00 0.01 -0.72 0.00 0.07 0.00 0.00 59.98 59.34 3kit h ARG 131 Cb 0.52 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.50 3kit h ARG 131 CO 0.00 -0.13 2.17 0.09 -1.07 0.00 0.00 179.97 181.03 3kit n ASN 132 N -4.61 4.79 -4.31 7.04 3.02 -0.89 -4.89 115.26 115.40 3kit n ASN 132 Ca -0.02 -2.96 -0.46 0.00 -0.03 0.00 0.00 54.58 51.10 3kit n ASN 132 Cb 0.08 -1.62 -0.03 0.00 -0.61 0.00 0.00 39.78 37.60 3kit n ASN 132 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kit s ILE 133 N 2.43 5.45 0.00 2.41 -1.09 -1.26 -4.70 121.20 124.44 3kit s ILE 133 Ca 0.46 -2.35 0.00 0.00 -2.23 0.00 0.00 60.65 56.54 3kit s ILE 133 Cb 0.06 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3kit s ILE 133 CO 0.00 -1.00 0.00 -0.81 -1.23 0.00 0.00 174.94 171.91 3kit n PRO 134 N 4.15 1.44 0.00 2.79 -0.04 -1.26 -5.09 135.00 136.99 3kit n PRO 134 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3kit n PRO 134 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 3kit n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kit n GLU 135 N 0.00 0.00 -1.37 0.54 1.02 -1.26 -5.04 120.64 114.53 3kit n GLU 135 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3kit n GLU 135 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 3kit n GLU 135 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3kit n PHE 136 N 0.00 0.46 -1.77 -0.32 -0.00 -1.26 -4.56 117.46 110.01 3kit n PHE 136 Ca 0.00 -0.05 -0.38 0.00 -0.00 0.00 0.00 57.45 57.02 3kit n PHE 136 Cb 0.00 -1.47 0.05 0.00 -0.00 0.00 0.00 39.48 38.06 3kit n PHE 136 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3kit s ILE 137 N 7.56 2.06 0.06 1.97 -1.09 -1.20 -4.72 121.20 125.84 3kit s ILE 137 Ca 0.69 0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 59.11 3kit s ILE 137 Cb -0.23 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 3kit s ILE 137 CO 0.19 -0.00 0.29 -1.61 -1.23 0.00 0.00 174.94 172.58 3kit s GLU 138 N -3.07 3.57 -0.09 2.79 2.02 -1.26 -1.68 118.70 120.98 3kit s GLU 138 Ca 0.75 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.62 3kit s GLU 138 Cb -0.39 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 30.85 3kit s GLU 138 CO 0.45 0.58 -0.17 0.08 0.02 0.00 0.00 175.26 176.22 3kit s VAL 139 N -1.46 1.51 -0.47 2.63 1.01 -0.91 -3.86 120.40 118.86 3kit s VAL 139 Ca 0.33 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3kit s VAL 139 Cb -0.13 -1.35 -0.12 0.00 0.00 0.00 0.00 36.38 34.78 3kit s VAL 139 CO 0.21 0.44 2.40 0.47 0.00 0.00 0.00 175.10 178.62 3kit n ASP 140 N 3.80 4.40 -4.38 3.32 9.92 -1.26 -3.61 116.55 128.74 3kit n ASP 140 Ca -0.21 -2.24 -0.43 0.00 -0.53 0.00 0.00 54.79 51.38 3kit n ASP 140 Cb 0.52 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 3kit n ASP 140 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3kit n VAL 141 N 3.32 4.07 0.00 2.53 0.31 -1.15 -4.11 118.33 123.30 3kit n VAL 141 Ca 0.38 -4.29 0.00 0.00 -0.01 0.00 0.00 64.34 60.42 3kit n VAL 141 Cb 0.39 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 3kit n VAL 141 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kit n SER 142 N 6.58 0.00 -3.03 4.52 3.41 -1.26 -3.50 113.62 120.33 3kit n SER 142 Ca 0.43 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.72 3kit n SER 142 Cb 0.43 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3kit n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kit n GLY 143 N 1.13 5.83 3.35 5.00 0.00 -1.26 -3.05 105.19 116.19 3kit n GLY 143 Ca 0.00 -2.68 -0.40 0.00 0.00 0.00 0.00 46.02 42.93 3kit n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kit s LEU 144 N -3.81 4.82 -0.16 0.99 2.01 -1.26 -4.82 118.68 116.45 3kit s LEU 144 Ca 0.47 -1.13 -0.14 0.00 0.01 0.00 0.00 54.13 53.34 3kit s LEU 144 Cb 0.30 -2.01 -0.05 0.00 0.01 0.00 0.00 46.19 44.45 3kit s LEU 144 CO -0.19 -0.42 0.32 -0.70 1.01 0.00 0.00 176.35 176.37 3kit s GLU 145 N 1.52 4.27 -0.96 1.70 2.56 -1.26 0.96 118.70 127.49 3kit s GLU 145 Ca 0.02 0.15 -0.17 0.00 0.00 0.00 0.00 54.97 54.96 3kit s GLU 145 Cb -0.20 -3.43 -0.28 0.00 2.00 0.00 0.00 34.13 32.22 3kit s GLU 145 CO 0.05 0.22 2.34 0.44 -0.56 0.00 0.00 175.26 177.75 3kit n ILE 146 N 3.61 -0.00 0.00 -3.70 -5.35 -1.26 -4.22 119.36 108.43 3kit n ILE 146 Ca -0.11 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 3kit n ILE 146 Cb 0.52 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 3kit n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kit n GLY 147 N 5.91 0.09 0.00 3.28 0.00 -0.98 -4.91 105.19 108.57 3kit n GLY 147 Ca 0.65 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3kit n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kit n ASP 148 N 0.00 0.00 -4.16 1.61 5.68 -1.26 -4.58 116.55 113.84 3kit n ASP 148 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.05 3kit n ASP 148 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 3kit n ASP 148 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kit s SER 149 N 0.00 2.53 -0.01 -1.12 0.15 -1.26 -4.70 113.70 109.28 3kit s SER 149 Ca 0.00 -1.60 -0.00 0.00 0.70 0.00 0.00 55.95 55.04 3kit s SER 149 Cb 0.00 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 3kit s SER 149 CO 0.00 -0.87 0.06 -1.48 1.20 0.00 0.00 173.24 172.15 3kit s LEU 150 N -3.55 3.81 0.00 3.45 2.34 -1.26 -5.04 118.68 118.43 3kit s LEU 150 Ca 0.28 0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.59 3kit s LEU 150 Cb 0.04 -2.19 0.00 0.00 -0.56 0.00 0.00 46.19 43.48 3kit s LEU 150 CO 0.15 0.28 0.00 0.00 -1.06 0.00 0.00 176.35 175.72 3kit n HIS 151 N 1.30 0.00 0.00 3.48 1.44 -1.26 -3.19 115.22 116.98 3kit n HIS 151 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 3kit n HIS 151 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3kit n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kit n ALA 152 N -2.36 0.00 0.88 1.59 0.00 -1.26 -4.05 120.51 115.31 3kit n ALA 152 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kit n ALA 152 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3kit n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kit n SER 153 N 0.00 1.75 -1.30 0.00 2.88 -1.26 -4.49 113.62 111.20 3kit n SER 153 Ca 0.00 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 3kit n SER 153 Cb 0.00 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 3kit n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kit n ASP 154 N 0.14 1.76 -4.17 -3.46 10.43 -1.26 -4.77 116.55 115.22 3kit n ASP 154 Ca 0.02 -1.18 -0.11 0.00 2.57 0.00 0.00 54.79 56.09 3kit n ASP 154 Cb 0.38 -0.33 -0.10 0.00 1.84 0.00 0.00 41.12 42.90 3kit n ASP 154 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 3kit s LEU 155 N 0.00 2.49 -0.38 0.64 2.34 -1.26 -4.83 118.68 117.68 3kit s LEU 155 Ca 0.00 -0.96 -0.29 0.00 0.06 0.00 0.00 54.13 52.94 3kit s LEU 155 Cb 0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 46.19 45.53 3kit s LEU 155 CO 0.00 -0.43 1.45 -0.75 -1.06 0.00 0.00 176.35 175.57 3kit s LYS 156 N -3.59 3.60 -0.28 1.48 2.20 -1.25 -5.00 119.74 116.90 3kit s LYS 156 Ca 0.10 1.07 -0.05 0.00 -0.36 0.00 0.00 55.97 56.73 3kit s LYS 156 Cb 0.03 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.35 3kit s LYS 156 CO -0.04 -1.53 0.03 -0.48 -0.36 0.00 0.00 175.35 172.97 3kit s LEU 157 N 5.45 3.69 0.85 5.43 2.34 -1.26 -4.37 118.68 130.81 3kit s LEU 157 Ca 0.63 -0.86 -0.16 0.00 0.06 0.00 0.00 54.13 53.80 3kit s LEU 157 Cb -0.16 -1.79 -0.09 0.00 -0.56 0.00 0.00 46.19 43.59 3kit s LEU 157 CO 0.31 -0.19 -0.20 -2.65 -1.06 0.00 0.00 176.35 172.57 3kit n PRO 158 N 4.77 -0.00 -1.90 1.48 -0.02 -1.26 -4.76 135.00 133.31 3kit n PRO 158 Ca -0.15 0.02 -0.23 0.00 -2.02 0.00 0.00 63.50 61.12 3kit n PRO 158 Cb 0.47 -1.33 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 3kit n PRO 158 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kit s PRO 159 N -2.31 2.19 0.00 0.52 0.02 -1.26 -2.51 135.00 131.65 3kit s PRO 159 Ca 0.51 -0.24 0.00 0.00 0.02 0.00 0.00 61.00 61.29 3kit s PRO 159 Cb -0.27 -5.01 0.00 0.00 0.02 0.00 0.00 34.50 29.23 3kit s PRO 159 CO 0.72 -3.92 0.00 0.41 -0.33 0.00 0.00 177.00 173.89 3kit n GLY 160 N 6.63 -0.53 2.99 0.52 0.00 -1.26 -5.10 105.19 108.45 3kit n GLY 160 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 3kit n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kit s VAL 161 N -0.25 1.16 -0.21 1.61 1.01 -1.04 -4.69 120.40 117.98 3kit s VAL 161 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3kit s VAL 161 Cb 0.00 -1.09 0.05 0.00 0.00 0.00 0.00 36.38 35.34 3kit s VAL 161 CO 0.00 0.37 -0.07 -1.83 0.00 0.00 0.00 175.10 173.57 3kit s GLU 162 N 1.02 1.79 -0.08 2.72 1.03 -1.25 -4.77 118.70 119.16 3kit s GLU 162 Ca -0.08 -0.90 -0.38 0.00 0.03 0.00 0.00 54.97 53.65 3kit s GLU 162 Cb -0.15 -2.47 -0.16 0.00 -0.80 0.00 0.00 34.13 30.55 3kit s GLU 162 CO -0.01 -0.51 1.54 1.47 -1.33 0.00 0.00 175.26 176.42 3kit n LEU 163 N 4.69 2.02 -3.69 1.83 -0.00 -1.26 -3.44 117.00 117.15 3kit n LEU 163 Ca -0.13 1.10 -0.41 0.00 -0.00 0.00 0.00 56.01 56.56 3kit n LEU 163 Cb 0.45 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 3kit n LEU 163 CO 0.19 -0.74 1.98 0.00 -0.00 0.00 0.00 177.39 178.81 3kit n ALA 164 N 3.91 6.04 -1.16 1.47 0.00 -0.66 -4.63 120.51 125.48 3kit n ALA 164 Ca 0.22 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.34 3kit n ALA 164 Cb 0.16 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.89 3kit n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kit n VAL 165 N 2.00 0.00 0.00 0.00 0.31 -1.26 -4.61 118.33 114.77 3kit n VAL 165 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 3kit n VAL 165 Cb 0.30 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3kit n VAL 165 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kit n SER 166 N -0.14 0.00 -4.73 4.52 3.41 -1.26 -4.99 113.62 110.43 3kit n SER 166 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3kit n SER 166 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3kit n SER 166 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3kit s PRO 167 N 0.00 4.41 0.02 4.33 0.04 -1.26 -5.08 135.00 137.46 3kit s PRO 167 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 3kit s PRO 167 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3kit s PRO 167 CO 0.00 0.17 0.00 -1.91 0.04 0.00 0.00 177.00 175.30 3kit n GLU 168 N 3.39 0.00 -1.42 4.56 4.07 -1.26 -4.76 120.64 125.21 3kit n GLU 168 Ca -0.03 0.00 -0.48 0.00 -0.06 0.00 0.00 57.16 56.59 3kit n GLU 168 Cb 0.51 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.78 3kit n GLU 168 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3kit n GLU 169 N -2.36 0.37 -1.52 5.31 4.07 -1.26 -4.56 120.64 120.68 3kit n GLU 169 Ca 0.00 0.06 -0.37 0.00 -0.06 0.00 0.00 57.16 56.80 3kit n GLU 169 Cb 0.00 -1.95 -0.10 0.00 -0.06 0.00 0.00 31.44 29.33 3kit n GLU 169 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3kit n THR 170 N 7.22 -0.04 -0.24 6.31 -1.04 -1.26 -4.38 114.28 120.85 3kit n THR 170 Ca 0.54 -0.39 0.02 0.00 -2.04 0.00 0.00 64.05 62.18 3kit n THR 170 Cb 0.12 -1.51 0.11 0.00 -1.82 0.00 0.00 70.33 67.23 3kit n THR 170 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3kit h ILE 171 N 7.81 0.35 -2.45 12.58 6.09 -1.69 -3.43 117.51 136.77 3kit h ILE 171 Ca -0.12 -0.02 0.16 0.00 -1.37 0.00 0.00 64.86 63.51 3kit h ILE 171 Cb 1.27 0.29 -0.07 0.00 0.47 0.00 0.00 36.82 38.79 3kit h ILE 171 CO 1.29 0.01 0.47 0.00 -3.07 0.00 0.00 178.15 176.85 3kit s ALA 172 N -6.18 -1.57 0.09 0.18 0.00 -1.19 -2.04 121.76 111.06 3kit s ALA 172 Ca -0.14 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 3kit s ALA 172 Cb 0.21 0.68 0.08 0.00 0.00 0.00 0.00 23.12 24.08 3kit s ALA 172 CO 0.75 -1.05 0.92 0.00 0.00 0.00 0.00 175.76 176.38 3kit s ALA 173 N -3.08 -1.71 -0.07 0.00 0.00 -0.94 -4.05 121.76 111.90 3kit s ALA 173 Ca 0.14 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3kit s ALA 173 Cb -0.02 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.67 3kit s ALA 173 CO 0.04 -0.90 -0.17 0.08 0.00 0.00 0.00 175.76 174.80 3kit s VAL 174 N -3.24 1.51 0.24 0.00 1.01 -1.26 0.13 120.40 118.79 3kit s VAL 174 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3kit s VAL 174 Cb -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3kit s VAL 174 CO -0.02 0.44 0.13 0.68 0.00 0.00 0.00 175.10 176.33 3kit s VAL 175 N 0.40 0.20 0.88 2.92 -7.23 -0.71 -2.32 120.40 114.54 3kit s VAL 175 Ca -0.13 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.88 3kit s VAL 175 Cb -0.15 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 3kit s VAL 175 CO 0.05 0.00 -0.07 -0.81 -0.31 0.00 0.00 175.10 173.96 3kit n PRO 176 N -0.39 -0.03 -2.94 4.82 -0.04 -1.26 -2.12 135.00 133.04 3kit n PRO 176 Ca 0.02 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 3kit n PRO 176 Cb 0.66 -1.45 0.02 0.00 -0.04 0.00 0.00 33.50 32.68 3kit n PRO 176 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kit s PRO 177 N -2.59 2.91 -0.46 0.54 0.04 -1.26 -4.59 135.00 129.59 3kit s PRO 177 Ca 0.52 -0.66 -0.25 0.00 0.04 0.00 0.00 61.00 60.66 3kit s PRO 177 Cb -0.26 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3kit s PRO 177 CO 0.71 -0.36 0.89 -2.00 0.04 0.00 0.00 177.00 176.28 3kit s GLU 178 N -4.56 3.49 -0.17 4.56 2.56 -1.26 -5.00 118.70 118.31 3kit s GLU 178 Ca 0.51 0.07 -0.03 0.00 0.00 0.00 0.00 54.97 55.51 3kit s GLU 178 Cb -0.10 -3.93 -0.02 0.00 2.00 0.00 0.00 34.13 32.07 3kit s GLU 178 CO 0.37 -1.20 -0.05 0.34 -0.56 0.00 0.00 175.26 174.16 3kit s ASP 179 N 2.24 4.57 0.00 -1.70 -1.08 -1.26 -5.00 116.67 114.45 3kit s ASP 179 Ca 0.35 -0.22 0.01 0.00 -0.52 0.00 0.00 52.55 52.16 3kit s ASP 179 Cb -0.11 -1.75 0.03 0.00 -1.46 0.00 0.00 42.92 39.64 3kit s ASP 179 CO 0.25 0.12 1.00 0.52 0.52 0.00 0.00 175.17 177.57 3kit n VAL 180 N 3.87 1.83 0.87 1.11 0.31 -1.26 -2.85 118.33 122.22 3kit n VAL 180 Ca -0.18 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 3kit n VAL 180 Cb 0.52 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3kit n VAL 180 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kit n GLU 181 N -1.47 0.87 -5.11 5.55 -0.58 -1.26 -4.71 120.64 113.93 3kit n GLU 181 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 3kit n GLU 181 Cb 0.01 -1.08 -0.17 0.00 -0.57 0.00 0.00 31.44 29.63 3kit n GLU 181 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kit s LYS 182 N 0.08 2.96 -0.29 3.49 1.02 -1.13 -5.07 119.74 120.80 3kit s LYS 182 Ca 0.00 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.19 3kit s LYS 182 Cb 0.00 -2.26 0.20 0.00 -0.52 0.00 0.00 37.83 35.25 3kit s LYS 182 CO 0.00 0.15 0.62 -1.17 -0.92 0.00 0.00 175.35 174.03 3kit s LEU 183 N 0.42 -1.53 0.00 3.17 0.20 -1.26 -5.12 118.68 114.55 3kit s LEU 183 Ca -0.17 0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.87 3kit s LEU 183 Cb -0.18 1.99 0.00 0.00 -0.43 0.00 0.00 46.19 47.58 3kit s LEU 183 CO 0.07 -0.28 0.00 0.00 -0.29 0.00 0.00 176.35 175.85 3kit n ALA 184 N 5.40 0.00 0.00 5.97 0.00 -1.26 -4.93 120.51 125.69 3kit n ALA 184 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kit n ALA 184 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3kit n ALA 184 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kit n GLU 185 N 0.00 0.00 0.00 0.00 2.13 -1.26 -5.35 120.64 116.16 3kit n GLU 185 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 3kit n GLU 185 Cb 0.00 0.00 0.32 0.00 0.27 0.00 0.00 31.44 32.03 3kit n GLU 185 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87