#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy s ARG 4 N 0.00 1.72 -0.30 -0.72 1.81 -1.26 -1.68 118.95 118.52 3kiy s ARG 4 Ca 0.00 -1.12 -0.05 0.00 -1.72 0.00 0.00 55.73 52.84 3kiy s ARG 4 Cb 0.00 -1.93 0.19 0.00 -0.45 0.00 0.00 34.95 32.76 3kiy s ARG 4 CO 0.00 0.49 0.83 -1.17 -0.68 0.00 0.00 175.30 174.78 3kiy s LEU 5 N -1.32 -0.94 0.11 2.53 0.20 -0.80 -4.86 118.68 113.59 3kiy s LEU 5 Ca 0.12 0.35 -0.31 0.00 0.69 0.00 0.00 54.13 54.97 3kiy s LEU 5 Cb -0.10 1.70 -0.11 0.00 -0.43 0.00 0.00 46.19 47.25 3kiy s LEU 5 CO 0.02 -0.17 1.85 1.17 -0.29 0.00 0.00 176.35 178.93 3kiy n LYS 6 N 5.37 2.78 -3.86 1.98 3.00 -1.26 -3.11 118.16 123.06 3kiy n LYS 6 Ca 0.01 1.01 -0.22 0.00 -0.00 0.00 0.00 58.31 59.12 3kiy n LYS 6 Cb 0.54 -2.91 -0.04 0.00 0.00 0.00 0.00 35.03 32.62 3kiy n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kiy s ALA 7 N 2.96 3.78 0.23 3.14 0.00 -1.17 -4.51 121.76 126.20 3kiy s ALA 7 Ca 0.83 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3kiy s ALA 7 Cb -0.48 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3kiy s ALA 7 CO 0.38 -0.01 0.24 0.71 0.00 0.00 0.00 175.76 177.08 3kiy s TYR 8 N -2.35 1.08 -0.26 0.00 1.51 -1.21 -3.83 117.35 112.30 3kiy s TYR 8 Ca 0.41 -1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 55.10 3kiy s TYR 8 Cb -0.05 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 3kiy s TYR 8 CO 0.26 -0.77 0.09 0.71 -1.11 0.00 0.00 175.55 174.73 3kiy s TYR 9 N -3.97 3.11 0.09 2.71 4.12 -1.26 -2.54 117.35 119.62 3kiy s TYR 9 Ca 0.36 -0.36 -0.23 0.00 0.02 0.00 0.00 57.07 56.85 3kiy s TYR 9 Cb 0.04 -2.27 -0.07 0.00 -1.52 0.00 0.00 41.96 38.15 3kiy s TYR 9 CO 0.14 -0.34 0.69 0.50 0.02 0.00 0.00 175.55 176.56 3kiy s ARG 10 N 1.64 4.42 -0.07 -0.62 3.52 -1.07 -4.92 118.95 121.84 3kiy s ARG 10 Ca 0.06 0.97 -0.09 0.00 -0.13 0.00 0.00 55.73 56.53 3kiy s ARG 10 Cb -0.15 -3.29 -0.29 0.00 -1.56 0.00 0.00 34.95 29.65 3kiy s ARG 10 CO 0.05 0.50 0.57 0.93 -0.81 0.00 0.00 175.30 176.54 3kiy h GLU 11 N 4.86 0.35 0.00 5.12 3.07 -1.95 -3.44 114.58 122.58 3kiy h GLU 11 Ca -0.47 -0.60 0.00 0.00 -0.50 0.00 0.00 59.36 57.79 3kiy h GLU 11 Cb 1.21 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 3kiy h GLU 11 CO 0.67 1.28 0.00 0.41 -1.40 0.00 0.00 179.01 179.97 3kiy n GLY 12 N 1.90 0.03 2.24 -3.84 0.00 -1.26 -5.10 105.19 99.16 3kiy n GLY 12 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 3kiy n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kiy n GLU 13 N 0.00 0.00 -1.51 1.61 -0.58 -1.26 -4.50 120.64 114.40 3kiy n GLU 13 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 3kiy n GLU 13 Cb 0.00 -0.68 -0.14 0.00 -0.57 0.00 0.00 31.44 30.05 3kiy n GLU 13 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kiy n LYS 14 N 0.92 0.20 -0.36 3.49 5.02 -1.26 -4.71 118.16 121.47 3kiy n LYS 14 Ca 0.07 -0.04 0.29 0.00 -2.02 0.00 0.00 58.31 56.61 3kiy n LYS 14 Cb 0.28 -1.85 0.60 0.00 -0.02 0.00 0.00 35.03 34.03 3kiy n LYS 14 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kiy h PRO 15 N 13.17 0.23 -0.79 1.97 0.13 -2.00 1.25 132.00 145.96 3kiy h PRO 15 Ca -0.06 -0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.16 3kiy h PRO 15 Cb 1.26 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 3kiy h PRO 15 CO 1.37 0.15 0.52 0.77 -0.23 0.00 0.00 178.00 180.58 3kiy h SER 16 N 0.23 0.60 0.19 1.44 0.02 -1.98 0.12 113.55 114.17 3kiy h SER 16 Ca 0.64 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.60 3kiy h SER 16 Cb 1.95 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.39 3kiy h SER 16 CO -0.25 0.35 -0.09 0.00 -1.14 0.00 0.00 176.83 175.69 3kiy h ALA 17 N 1.61 -0.25 -0.74 3.77 0.00 0.12 -2.86 119.26 120.91 3kiy h ALA 17 Ca 0.37 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3kiy h ALA 17 Cb 0.54 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 3kiy h ALA 17 CO -0.14 -0.32 -0.38 -0.07 0.00 0.00 0.00 179.25 178.33 3kiy h LEU 18 N -0.89 -1.36 -0.49 0.00 4.07 -0.82 0.23 115.31 116.04 3kiy h LEU 18 Ca -0.03 0.26 0.09 0.00 0.08 0.00 0.00 57.88 58.29 3kiy h LEU 18 Cb 0.51 0.67 -0.10 0.00 1.08 0.00 0.00 40.66 42.82 3kiy h LEU 18 CO 0.04 -0.30 -0.32 0.03 -1.08 0.00 0.00 178.44 176.81 3kiy h ARG 19 N -0.11 -0.20 -1.00 1.13 3.08 -0.61 0.69 114.38 117.37 3kiy h ARG 19 Ca 0.26 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3kiy h ARG 19 Cb 0.56 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kiy h ARG 19 CO -0.80 -0.13 0.00 2.89 -1.07 0.00 0.00 179.97 180.86 3kiy n ARG 20 N -5.42 0.96 0.00 0.04 1.85 0.69 -1.72 116.66 113.07 3kiy n ARG 20 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3kiy n ARG 20 Cb 0.34 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 3kiy n ARG 20 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kiy n ALA 21 N 0.27 1.41 0.00 2.89 0.00 0.23 -5.00 120.51 120.31 3kiy n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kiy n ALA 21 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3kiy n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 22 N 0.85 2.38 3.74 0.00 0.00 -0.64 -5.03 105.19 106.49 3kiy n GLY 22 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kiy n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy s LYS 23 N -0.20 4.29 -0.58 1.61 -0.14 -0.82 -0.11 119.74 123.79 3kiy s LYS 23 Ca 0.00 2.25 -0.07 0.00 -1.36 0.00 0.00 55.97 56.79 3kiy s LYS 23 Cb 0.00 -3.13 0.15 0.00 -1.68 0.00 0.00 37.83 33.17 3kiy s LYS 23 CO 0.00 -0.40 0.43 -1.17 -0.76 0.00 0.00 175.35 173.45 3kiy s LEU 24 N -0.15 5.63 0.27 3.17 0.20 0.69 -2.78 118.68 125.71 3kiy s LEU 24 Ca 0.60 -2.42 -0.29 0.00 0.69 0.00 0.00 54.13 52.70 3kiy s LEU 24 Cb -0.41 -1.96 -0.14 0.00 -0.43 0.00 0.00 46.19 43.26 3kiy s LEU 24 CO 0.41 -0.53 1.14 -0.81 -0.29 0.00 0.00 176.35 176.27 3kiy n PRO 25 N 4.16 1.54 -3.85 0.98 -0.04 -1.26 -2.77 135.00 133.77 3kiy n PRO 25 Ca 0.02 0.54 -0.03 0.00 -0.04 0.00 0.00 63.50 64.00 3kiy n PRO 25 Cb 0.41 -2.01 0.01 0.00 -0.04 0.00 0.00 33.50 31.86 3kiy n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kiy s GLY 26 N -0.28 0.02 -0.02 0.55 0.00 -1.17 -2.51 107.32 103.91 3kiy s GLY 26 Ca 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3kiy s GLY 26 CO 0.57 1.89 0.01 0.54 0.00 0.00 0.00 173.10 176.12 3kiy s VAL 27 N -2.40 0.02 -0.21 1.40 0.11 -1.12 -0.90 120.40 117.30 3kiy s VAL 27 Ca 0.20 0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.27 3kiy s VAL 27 Cb -0.02 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.67 3kiy s VAL 27 CO 0.04 0.08 0.13 0.00 -3.33 0.00 0.00 175.10 172.03 3kiy s MET 28 N 0.76 4.16 0.35 1.54 0.23 -0.52 -2.93 119.30 122.90 3kiy s MET 28 Ca -0.07 -0.23 -0.17 0.00 -1.03 0.00 0.00 55.69 54.19 3kiy s MET 28 Cb -0.10 -3.44 0.05 0.00 -1.53 0.00 0.00 34.83 29.82 3kiy s MET 28 CO -0.02 0.25 0.79 1.52 -2.03 0.00 0.00 175.02 175.54 3kiy s TYR 29 N 0.50 0.06 0.00 3.16 -0.85 -1.11 -0.08 117.35 119.03 3kiy s TYR 29 Ca 0.08 -0.68 -0.17 0.00 -0.52 0.00 0.00 57.07 55.78 3kiy s TYR 29 Cb -0.12 0.81 0.06 0.00 0.38 0.00 0.00 41.96 43.09 3kiy s TYR 29 CO -0.01 -1.47 0.79 0.27 -1.52 0.00 0.00 175.55 173.62 3kiy n ASN 30 N -1.22 -0.80 0.00 -0.18 6.94 0.28 -2.32 115.26 117.97 3kiy n ASN 30 Ca -0.07 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 3kiy n ASN 30 Cb 0.60 1.25 0.00 0.00 -2.36 0.00 0.00 39.78 39.26 3kiy n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3kiy n ARG 31 N -0.57 0.00 0.00 -3.83 1.85 -1.26 -1.87 116.66 110.98 3kiy n ARG 31 Ca 0.02 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 3kiy n ARG 31 Cb 0.37 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 3kiy n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3kiy n HIS 32 N -1.10 0.00 -4.57 2.89 8.25 -1.26 -5.12 115.22 114.31 3kiy n HIS 32 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3kiy n HIS 32 Cb 0.26 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 3kiy n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kiy s LEU 33 N -0.69 2.78 -0.32 2.41 2.96 -0.78 -5.11 118.68 119.92 3kiy s LEU 33 Ca 0.00 -1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 52.57 3kiy s LEU 33 Cb 0.00 -0.96 0.19 0.00 0.50 0.00 0.00 46.19 45.92 3kiy s LEU 33 CO 0.00 -0.30 1.01 0.21 -1.32 0.00 0.00 176.35 175.96 3kiy s ASN 34 N -3.64 -0.45 -0.04 3.68 3.84 -1.24 -0.55 114.94 116.53 3kiy s ASN 34 Ca 0.33 -0.15 0.03 0.00 0.21 0.00 0.00 52.86 53.29 3kiy s ASN 34 Cb 0.05 0.77 0.00 0.00 -0.55 0.00 0.00 41.25 41.53 3kiy s ASN 34 CO 0.17 -0.06 -0.14 -0.13 -2.79 0.00 0.00 177.10 174.15 3kiy s ARG 35 N 2.23 1.46 -0.16 0.43 1.81 0.89 -4.98 118.95 120.63 3kiy s ARG 35 Ca 0.18 -0.48 -0.29 0.00 -1.72 0.00 0.00 55.73 53.42 3kiy s ARG 35 Cb 0.01 -1.29 -0.03 0.00 -0.45 0.00 0.00 34.95 33.19 3kiy s ARG 35 CO -0.17 0.18 1.52 -1.59 -0.68 0.00 0.00 175.30 174.56 3kiy s LYS 36 N 0.14 4.04 0.06 3.54 -2.85 -1.26 -1.44 119.74 121.96 3kiy s LYS 36 Ca -0.04 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 56.73 3kiy s LYS 36 Cb -0.11 -3.94 0.00 0.00 -2.06 0.00 0.00 37.83 31.72 3kiy s LYS 36 CO 0.02 -0.99 0.00 1.33 0.10 0.00 0.00 175.35 175.81 3kiy n VAL 37 N 5.84 0.00 -3.15 1.79 0.24 -0.08 -2.59 118.33 120.38 3kiy n VAL 37 Ca 0.17 -0.26 0.05 0.00 -2.04 0.00 0.00 64.34 62.26 3kiy n VAL 37 Cb 0.44 0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.81 3kiy n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3kiy s TYR 38 N -1.12 -0.56 0.22 6.34 -0.85 -1.05 -3.04 117.35 117.29 3kiy s TYR 38 Ca 0.00 0.51 0.05 0.00 -0.52 0.00 0.00 57.07 57.11 3kiy s TYR 38 Cb -0.00 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 3kiy s TYR 38 CO 0.00 -0.31 0.32 0.14 -1.52 0.00 0.00 175.55 174.18 3kiy s VAL 39 N 2.95 5.18 0.79 -3.49 -7.23 -1.11 -3.29 120.40 114.20 3kiy s VAL 39 Ca 0.07 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.18 3kiy s VAL 39 Cb -0.08 -3.77 0.07 0.00 0.56 0.00 0.00 36.38 33.15 3kiy s VAL 39 CO -0.14 -0.26 1.10 -0.62 -0.31 0.00 0.00 175.10 174.86 3kiy s ASP 40 N -3.75 4.33 -0.03 4.85 3.68 -1.26 0.25 116.67 124.74 3kiy s ASP 40 Ca 0.34 1.84 -0.02 0.00 2.13 0.00 0.00 52.55 56.84 3kiy s ASP 40 Cb -0.09 -2.51 -0.01 0.00 -1.45 0.00 0.00 42.92 38.86 3kiy s ASP 40 CO 0.28 -2.15 -0.04 0.25 0.13 0.00 0.00 175.17 173.65 3kiy h LEU 41 N -1.21 0.00 -0.52 -1.34 6.46 -0.83 -3.27 115.31 114.61 3kiy h LEU 41 Ca -0.44 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 57.54 3kiy h LEU 41 Cb 1.24 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.08 3kiy h LEU 41 CO 0.51 0.18 0.29 0.55 -0.62 0.00 0.00 178.44 179.35 3kiy n VAL 42 N -2.84 -0.20 0.77 1.05 3.14 -1.26 0.20 118.33 119.19 3kiy n VAL 42 Ca -0.02 1.01 0.08 0.00 -2.96 0.00 0.00 64.34 62.46 3kiy n VAL 42 Cb 0.06 -1.65 -0.10 0.00 -1.06 0.00 0.00 33.84 31.09 3kiy n VAL 42 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3kiy n GLU 43 N -4.10 1.20 -0.01 1.45 0.28 -1.26 -4.06 120.64 114.15 3kiy n GLU 43 Ca 0.19 -0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 57.00 3kiy n GLU 43 Cb 0.66 -1.33 -0.08 0.00 1.43 0.00 0.00 31.44 32.12 3kiy n GLU 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3kiy h PHE 44 N 0.00 1.04 0.00 -1.84 3.04 0.23 -2.94 116.94 116.47 3kiy h PHE 44 Ca 0.00 -0.49 0.00 0.00 3.98 0.00 0.00 57.97 61.46 3kiy h PHE 44 Cb 0.44 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3kiy h PHE 44 CO 0.00 1.32 0.00 -3.47 -2.02 0.00 0.00 178.31 174.14 3kiy n ASP 45 N -3.94 0.00 -0.12 0.41 4.64 -0.54 -0.27 116.55 116.73 3kiy n ASP 45 Ca -0.09 0.82 -0.01 0.00 -1.38 0.00 0.00 54.79 54.14 3kiy n ASP 45 Cb 0.77 -0.32 0.01 0.00 -1.04 0.00 0.00 41.12 40.54 3kiy n ASP 45 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3kiy n LYS 46 N -1.87 -0.08 -0.02 -0.67 4.81 -1.24 0.53 118.16 119.62 3kiy n LYS 46 Ca 0.00 0.46 -0.12 0.00 -0.87 0.00 0.00 58.31 57.78 3kiy n LYS 46 Cb 0.00 -0.68 -0.08 0.00 0.02 0.00 0.00 35.03 34.29 3kiy n LYS 46 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3kiy h VAL 47 N 0.00 1.29 0.00 3.15 2.07 -1.25 -3.06 116.25 118.45 3kiy h VAL 47 Ca 0.10 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3kiy h VAL 47 Cb 0.17 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3kiy h VAL 47 CO -0.30 0.25 0.00 0.15 0.02 0.00 0.00 177.57 177.69 3kiy h PHE 48 N -0.19 0.00 -0.44 1.57 3.04 0.32 -0.62 116.94 120.63 3kiy h PHE 48 Ca 0.02 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.05 3kiy h PHE 48 Cb 0.40 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.84 3kiy h PHE 48 CO 0.05 0.00 0.02 0.00 -2.02 0.00 0.00 178.31 176.36 3kiy h ARG 49 N 0.00 0.13 0.00 1.11 2.47 -0.58 -2.92 114.38 114.60 3kiy h ARG 49 Ca 0.00 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 3kiy h ARG 49 Cb 0.34 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 3kiy h ARG 49 CO 0.00 0.09 -1.92 1.04 0.56 0.00 0.00 179.97 179.74 3kiy n GLN 50 N -5.18 0.74 0.00 0.04 6.02 -1.16 -4.78 117.38 113.06 3kiy n GLN 50 Ca 0.04 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3kiy n GLN 50 Cb 0.23 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3kiy n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kiy n ALA 51 N -2.27 0.00 -0.47 -1.58 0.00 -0.25 -4.85 120.51 111.10 3kiy n ALA 51 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kiy n ALA 51 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 3kiy n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kiy n SER 52 N -0.29 -2.80 -1.58 0.00 2.88 -1.11 -3.28 113.62 107.44 3kiy n SER 52 Ca 0.00 0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.45 3kiy n SER 52 Cb 0.00 -0.07 0.07 0.00 -0.75 0.00 0.00 64.21 63.46 3kiy n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3kiy n ILE 53 N -0.97 2.05 -0.03 2.46 -6.64 -1.26 -3.91 119.36 111.05 3kiy n ILE 53 Ca 0.00 -0.92 -0.06 0.00 -1.77 0.00 0.00 62.75 59.99 3kiy n ILE 53 Cb 0.01 -0.84 -0.03 0.00 -1.44 0.00 0.00 39.64 37.35 3kiy n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3kiy n HIS 54 N -0.14 0.00 -4.07 4.28 -0.00 -1.25 -4.22 115.22 109.83 3kiy n HIS 54 Ca 0.26 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.72 3kiy n HIS 54 Cb 0.96 -0.25 -0.05 0.00 -0.00 0.00 0.00 29.99 30.65 3kiy n HIS 54 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3kiy s HIS 55 N -2.13 3.18 0.08 4.41 3.76 -1.21 -4.94 115.29 118.45 3kiy s HIS 55 Ca -0.09 0.01 -0.15 0.00 -0.15 0.00 0.00 55.06 54.68 3kiy s HIS 55 Cb 0.03 -1.54 -0.06 0.00 1.11 0.00 0.00 32.58 32.12 3kiy s HIS 55 CO 0.13 0.52 0.49 0.08 -0.85 0.00 0.00 174.74 175.11 3kiy s VAL 56 N -1.70 4.91 0.00 -0.90 1.01 -1.26 -4.67 120.40 117.79 3kiy s VAL 56 Ca 0.31 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3kiy s VAL 56 Cb -0.10 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3kiy s VAL 56 CO 0.24 0.43 0.00 -0.38 0.00 0.00 0.00 175.10 175.38 3kiy n ILE 57 N 1.34 0.00 -3.72 2.22 -0.00 -1.01 -3.90 119.36 114.29 3kiy n ILE 57 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.52 3kiy n ILE 57 Cb 0.52 -0.65 -0.09 0.00 -0.00 0.00 0.00 39.64 39.42 3kiy n ILE 57 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3kiy s VAL 58 N 0.97 0.01 -0.32 1.39 1.01 -0.68 -3.32 120.40 119.47 3kiy s VAL 58 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3kiy s VAL 58 Cb 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.83 3kiy s VAL 58 CO 0.00 -0.05 0.01 -0.76 0.00 0.00 0.00 175.10 174.29 3kiy s LEU 59 N -0.18 4.30 -1.23 3.92 1.43 -1.23 -1.91 118.68 123.77 3kiy s LEU 59 Ca -0.04 -1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 51.09 3kiy s LEU 59 Cb -0.03 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.67 3kiy s LEU 59 CO 0.02 -0.32 1.57 -1.61 0.23 0.00 0.00 176.35 176.23 3kiy s GLU 60 N 1.02 4.01 0.17 1.70 2.02 -1.18 -3.44 118.70 123.00 3kiy s GLU 60 Ca 0.03 -2.23 -0.29 0.00 0.02 0.00 0.00 54.97 52.50 3kiy s GLU 60 Cb -0.20 -5.29 -0.07 0.00 0.10 0.00 0.00 34.13 28.67 3kiy s GLU 60 CO -0.06 -2.01 0.91 -0.48 0.02 0.00 0.00 175.26 173.64 3kiy s LEU 61 N 2.98 4.58 0.00 1.80 2.34 -1.16 -3.02 118.68 126.19 3kiy s LEU 61 Ca 0.48 1.82 0.00 0.00 0.06 0.00 0.00 54.13 56.49 3kiy s LEU 61 Cb 0.00 -3.53 0.00 0.00 -0.56 0.00 0.00 46.19 42.10 3kiy s LEU 61 CO 0.03 0.08 0.09 -2.65 -1.06 0.00 0.00 176.35 172.84 3kiy n PRO 62 N 2.05 0.00 0.00 1.48 -0.02 -1.25 -0.89 135.00 136.38 3kiy n PRO 62 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3kiy n PRO 62 Cb 0.48 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3kiy n PRO 62 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kiy n ASP 63 N 1.79 0.01 0.00 2.55 3.85 -1.26 -5.06 116.55 118.42 3kiy n ASP 63 Ca 0.00 -0.29 0.00 0.00 -0.71 0.00 0.00 54.79 53.79 3kiy n ASP 63 Cb 0.00 0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 3kiy n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kiy n GLY 64 N 0.02 2.22 0.50 6.12 0.00 -0.07 -5.08 105.19 108.90 3kiy n GLY 64 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 3kiy n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kiy n GLN 65 N 0.00 0.00 -4.13 1.61 6.02 -1.26 -4.46 117.38 115.16 3kiy n GLN 65 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3kiy n GLN 65 Cb 0.00 -0.15 -0.17 0.00 1.02 0.00 0.00 30.24 30.95 3kiy n GLN 65 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kiy s SER 66 N -0.15 1.57 0.20 1.08 0.01 -1.26 -2.97 113.70 112.18 3kiy s SER 66 Ca 0.09 -0.20 0.11 0.00 1.31 0.00 0.00 55.95 57.26 3kiy s SER 66 Cb -0.13 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3kiy s SER 66 CO 0.08 -0.07 -0.19 -0.76 0.41 0.00 0.00 173.24 172.71 3kiy s LEU 67 N 1.24 2.63 -0.55 2.44 2.01 -1.22 -4.88 118.68 120.35 3kiy s LEU 67 Ca -0.05 -0.79 -0.10 0.00 0.01 0.00 0.00 54.13 53.19 3kiy s LEU 67 Cb -0.14 -1.32 -0.10 0.00 0.01 0.00 0.00 46.19 44.64 3kiy s LEU 67 CO -0.02 0.10 1.73 -0.81 1.01 0.00 0.00 176.35 178.36 3kiy n PRO 68 N 0.08 1.19 -2.22 1.29 -0.04 -1.26 -3.55 135.00 130.50 3kiy n PRO 68 Ca -0.11 -1.24 -0.35 0.00 -0.04 0.00 0.00 63.50 61.76 3kiy n PRO 68 Cb 0.56 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 3kiy n PRO 68 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kiy s THR 69 N 4.55 3.08 -0.46 0.52 -4.23 -1.21 -0.59 115.64 117.29 3kiy s THR 69 Ca 0.36 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.61 3kiy s THR 69 Cb 0.09 -3.28 0.19 0.00 1.34 0.00 0.00 72.50 70.84 3kiy s THR 69 CO 0.05 -0.14 0.73 -0.76 -0.54 0.00 0.00 174.62 173.96 3kiy s LEU 70 N -3.81 -1.37 -0.06 4.79 1.43 0.40 -2.41 118.68 117.65 3kiy s LEU 70 Ca 0.73 -1.27 -0.34 0.00 -1.03 0.00 0.00 54.13 52.22 3kiy s LEU 70 Cb -0.25 1.77 -0.17 0.00 0.03 0.00 0.00 46.19 47.58 3kiy s LEU 70 CO 0.28 -0.09 0.96 1.33 0.23 0.00 0.00 176.35 179.06 3kiy n VAL 71 N 3.44 0.00 -0.20 -1.59 0.24 -1.25 -3.06 118.33 115.91 3kiy n VAL 71 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3kiy n VAL 71 Cb 0.57 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3kiy n VAL 71 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kiy n ARG 72 N 1.56 -0.08 -3.60 7.34 5.12 0.18 -4.46 116.66 122.72 3kiy n ARG 72 Ca 0.18 -0.60 -0.10 0.00 -1.93 0.00 0.00 57.85 55.40 3kiy n ARG 72 Cb 0.05 -0.90 -0.06 0.00 -1.16 0.00 0.00 32.46 30.39 3kiy n ARG 72 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3kiy s GLN 73 N -0.18 0.53 -0.23 5.56 0.74 -1.24 -4.99 119.66 119.85 3kiy s GLN 73 Ca 0.00 0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.65 3kiy s GLN 73 Cb 0.00 0.25 0.12 0.00 1.10 0.00 0.00 33.01 34.48 3kiy s GLN 73 CO 0.00 -0.14 0.40 0.08 -0.55 0.00 0.00 175.29 175.08 3kiy s VAL 74 N -0.64 -0.63 0.15 1.34 1.01 -1.26 -0.30 120.40 120.05 3kiy s VAL 74 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3kiy s VAL 74 Cb -0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 3kiy s VAL 74 CO -0.02 -0.05 1.12 0.20 0.00 0.00 0.00 175.10 176.35 3kiy s ASN 75 N 2.58 7.22 -0.15 3.32 -0.87 -1.02 -4.97 114.94 121.05 3kiy s ASN 75 Ca 0.08 2.06 0.00 0.00 -1.57 0.00 0.00 52.86 53.44 3kiy s ASN 75 Cb -0.14 -2.60 -0.00 0.00 -0.02 0.00 0.00 41.25 38.49 3kiy s ASN 75 CO -0.15 -0.28 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.18 3kiy s LEU 76 N -0.00 2.49 -0.80 0.60 1.43 -1.26 -0.56 118.68 120.58 3kiy s LEU 76 Ca 0.52 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.91 3kiy s LEU 76 Cb -0.29 -1.56 -0.18 0.00 0.03 0.00 0.00 46.19 44.19 3kiy s LEU 76 CO 0.34 0.10 2.48 -0.67 0.23 0.00 0.00 176.35 178.82 3kiy n ASP 77 N 3.98 0.92 -0.12 2.29 2.03 -0.13 -4.73 116.55 120.79 3kiy n ASP 77 Ca -0.19 -0.43 -0.01 0.00 0.52 0.00 0.00 54.79 54.68 3kiy n ASP 77 Cb 0.52 -1.20 -0.00 0.00 -0.72 0.00 0.00 41.12 39.72 3kiy n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kiy n LYS 78 N 8.24 -0.10 -3.13 -0.67 4.76 -1.26 -3.73 118.16 122.28 3kiy n LYS 78 Ca 0.54 0.47 -0.41 0.00 -2.87 0.00 0.00 58.31 56.04 3kiy n LYS 78 Cb 0.28 -0.70 -0.07 0.00 -1.84 0.00 0.00 35.03 32.71 3kiy n LYS 78 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3kiy s ARG 79 N -5.24 4.04 -0.18 1.97 1.70 -1.26 -4.58 118.95 115.40 3kiy s ARG 79 Ca -0.04 0.44 -0.07 0.00 -0.47 0.00 0.00 55.73 55.59 3kiy s ARG 79 Cb 0.05 -3.67 0.03 0.00 -0.57 0.00 0.00 34.95 30.78 3kiy s ARG 79 CO 0.21 -0.45 0.14 0.54 -1.08 0.00 0.00 175.30 174.65 3kiy n ARG 80 N 5.74 -3.40 -1.07 3.89 5.12 -1.24 -4.90 116.66 120.79 3kiy n ARG 80 Ca -0.01 2.70 -0.35 0.00 -1.93 0.00 0.00 57.85 58.26 3kiy n ARG 80 Cb 0.49 -4.34 0.02 0.00 -1.16 0.00 0.00 32.46 27.47 3kiy n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3kiy n ARG 81 N 1.10 0.00 0.00 5.56 1.85 -1.25 -4.67 116.66 119.25 3kiy n ARG 81 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 3kiy n ARG 81 Cb 0.36 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 3kiy n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3kiy n ARG 82 N 1.65 0.00 -3.33 2.89 0.63 -1.26 -4.88 116.66 112.36 3kiy n ARG 82 Ca 0.05 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.59 3kiy n ARG 82 Cb 0.45 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.30 3kiy n ARG 82 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3kiy s PRO 83 N -2.00 4.22 -0.20 -0.14 0.02 -1.26 -0.95 135.00 134.69 3kiy s PRO 83 Ca 0.00 0.32 -0.19 0.00 0.02 0.00 0.00 61.00 61.15 3kiy s PRO 83 Cb 0.00 -3.52 -0.16 0.00 0.02 0.00 0.00 34.50 30.84 3kiy s PRO 83 CO 0.00 -0.02 0.14 0.93 -0.33 0.00 0.00 177.00 177.72 3kiy h GLU 84 N 7.23 0.00 -2.88 5.54 5.08 -1.18 -3.47 114.58 124.91 3kiy h GLU 84 Ca -0.37 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.73 3kiy h GLU 84 Cb 1.16 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.07 3kiy h GLU 84 CO 0.73 0.81 -0.59 -1.58 -1.00 0.00 0.00 179.01 177.39 3kiy s HIS 85 N -2.34 -0.30 0.01 4.33 5.04 -1.25 -4.09 115.29 116.69 3kiy s HIS 85 Ca -0.26 0.69 -0.18 0.00 -1.54 0.00 0.00 55.06 53.77 3kiy s HIS 85 Cb 0.05 -0.19 -0.06 0.00 0.04 0.00 0.00 32.58 32.43 3kiy s HIS 85 CO 0.52 -0.37 0.51 0.08 -2.34 0.00 0.00 174.74 173.14 3kiy s VAL 86 N 2.35 4.93 -0.44 0.89 1.01 -1.05 -2.43 120.40 125.66 3kiy s VAL 86 Ca 0.03 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 3kiy s VAL 86 Cb -0.13 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.52 3kiy s VAL 86 CO -0.08 0.50 0.30 -1.81 0.00 0.00 0.00 175.10 174.01 3kiy s ASP 87 N -0.68 5.65 0.08 3.32 1.11 0.58 -2.78 116.67 123.96 3kiy s ASP 87 Ca 0.27 -1.73 -0.26 0.00 0.18 0.00 0.00 52.55 51.01 3kiy s ASP 87 Cb -0.18 -1.99 -0.06 0.00 1.07 0.00 0.00 42.92 41.76 3kiy s ASP 87 CO 0.16 -0.62 0.80 -0.36 1.18 0.00 0.00 175.17 176.33 3kiy s PHE 88 N 1.38 3.78 -0.11 4.23 0.40 -1.15 0.51 117.98 127.02 3kiy s PHE 88 Ca 0.05 1.56 -0.01 0.00 -0.60 0.00 0.00 56.93 57.93 3kiy s PHE 88 Cb -0.25 -2.85 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 3kiy s PHE 88 CO 0.00 0.30 -0.08 0.12 0.70 0.00 0.00 175.22 176.26 3kiy s PHE 89 N -0.22 2.91 -0.19 0.36 5.99 -1.17 -2.75 117.98 122.90 3kiy s PHE 89 Ca 0.40 -0.26 -0.09 0.00 0.00 0.00 0.00 56.93 56.98 3kiy s PHE 89 Cb -0.21 -1.82 -0.05 0.00 0.00 0.00 0.00 43.02 40.94 3kiy s PHE 89 CO 0.25 0.07 0.12 0.08 -0.00 0.00 0.00 175.22 175.74 3kiy s VAL 90 N -0.15 5.35 0.18 3.12 1.01 -0.98 -0.45 120.40 128.48 3kiy s VAL 90 Ca 0.01 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3kiy s VAL 90 Cb -0.13 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3kiy s VAL 90 CO 0.03 0.46 0.47 -0.76 0.00 0.00 0.00 175.10 175.30 3kiy s LEU 91 N 0.21 4.22 0.00 3.92 1.43 0.25 -4.74 118.68 123.97 3kiy s LEU 91 Ca 0.08 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 3kiy s LEU 91 Cb -0.11 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3kiy s LEU 91 CO -0.01 -0.00 0.00 -1.54 0.23 0.00 0.00 176.35 175.03 3kiy n SER 92 N 0.06 0.00 0.00 2.29 3.41 -1.26 -4.72 113.62 113.40 3kiy n SER 92 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3kiy n SER 92 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kiy n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kiy n ASP 93 N 0.00 0.00 -3.86 4.04 5.75 -1.26 -4.80 116.55 116.43 3kiy n ASP 93 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.52 3kiy n ASP 93 Cb 0.00 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.28 3kiy n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kiy n GLU 94 N -0.66 -2.42 -0.64 0.11 1.02 -1.26 -3.81 120.64 112.98 3kiy n GLU 94 Ca 0.00 -0.71 -0.06 0.00 -0.02 0.00 0.00 57.16 56.38 3kiy n GLU 94 Cb 0.00 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 29.68 3kiy n GLU 94 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3kiy n PRO 95 N -2.63 1.29 -1.26 3.49 -0.04 -1.26 -3.75 135.00 130.84 3kiy n PRO 95 Ca 0.05 -0.48 -0.50 0.00 -0.04 0.00 0.00 63.50 62.52 3kiy n PRO 95 Cb 0.50 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 3kiy n PRO 95 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3kiy n VAL 96 N 2.20 0.00 -1.99 0.52 3.14 -1.26 -2.76 118.33 118.18 3kiy n VAL 96 Ca 0.21 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.19 3kiy n VAL 96 Cb 0.60 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 3kiy n VAL 96 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3kiy s GLU 97 N 2.53 3.86 0.14 1.45 2.02 -1.26 -3.26 118.70 124.17 3kiy s GLU 97 Ca 0.80 2.20 -0.25 0.00 0.02 0.00 0.00 54.97 57.74 3kiy s GLU 97 Cb -1.12 -2.69 0.08 0.00 0.10 0.00 0.00 34.13 30.49 3kiy s GLU 97 CO 0.60 -0.60 1.04 0.00 0.02 0.00 0.00 175.26 176.32 3kiy s MET 98 N -2.34 1.13 -0.21 1.61 0.23 -1.01 -4.97 119.30 113.74 3kiy s MET 98 Ca 0.59 -0.67 -0.07 0.00 -1.03 0.00 0.00 55.69 54.51 3kiy s MET 98 Cb -0.39 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.23 3kiy s MET 98 CO 0.50 -0.52 0.06 0.71 -2.03 0.00 0.00 175.02 173.73 3kiy s TYR 99 N -2.69 3.14 -0.23 3.16 1.51 -1.26 0.14 117.35 121.12 3kiy s TYR 99 Ca 0.17 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3kiy s TYR 99 Cb -0.01 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3kiy s TYR 99 CO 0.03 -0.11 0.07 0.08 -1.11 0.00 0.00 175.55 174.50 3kiy s VAL 100 N 0.97 4.44 1.16 0.71 1.01 0.70 -4.28 120.40 125.12 3kiy s VAL 100 Ca 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3kiy s VAL 100 Cb -0.14 -3.05 0.21 0.00 0.00 0.00 0.00 36.38 33.40 3kiy s VAL 100 CO 0.03 0.37 0.56 -0.81 0.00 0.00 0.00 175.10 175.25 3kiy n PRO 101 N 4.50 -2.16 -1.69 2.72 -0.04 -1.26 -1.62 135.00 135.44 3kiy n PRO 101 Ca -0.16 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 3kiy n PRO 101 Cb 0.52 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3kiy n PRO 101 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kiy n LEU 102 N -3.53 0.00 -3.16 1.53 4.77 -1.26 -3.12 117.00 112.24 3kiy n LEU 102 Ca 0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3kiy n LEU 102 Cb 0.58 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3kiy n LEU 102 CO 0.55 -0.05 0.11 -0.60 -1.33 0.00 0.00 177.39 176.07 3kiy s ARG 103 N -1.66 0.61 -1.39 3.23 3.52 -1.13 -4.57 118.95 117.54 3kiy s ARG 103 Ca 0.00 0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.79 3kiy s ARG 103 Cb 0.00 0.21 0.05 0.00 -1.56 0.00 0.00 34.95 33.65 3kiy s ARG 103 CO 0.00 -1.06 2.03 1.19 -0.81 0.00 0.00 175.30 176.65 3kiy n PHE 104 N 5.16 3.99 -2.81 5.12 3.72 -1.26 -2.86 117.46 128.51 3kiy n PHE 104 Ca 0.07 -2.93 -0.42 0.00 -0.05 0.00 0.00 57.45 54.12 3kiy n PHE 104 Cb 0.55 -2.58 -0.03 0.00 -0.94 0.00 0.00 39.48 36.47 3kiy n PHE 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kiy s VAL 105 N 3.57 4.84 0.00 -4.37 0.11 -1.24 -4.89 120.40 118.42 3kiy s VAL 105 Ca 0.50 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 61.33 3kiy s VAL 105 Cb 0.10 -4.20 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 3kiy s VAL 105 CO -0.02 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 3kiy n GLY 106 N 3.33 2.12 2.94 6.54 0.00 -1.21 -3.20 105.19 115.71 3kiy n GLY 106 Ca 0.06 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3kiy n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kiy s THR 107 N -1.88 1.51 1.04 2.61 2.01 -1.17 -4.81 115.64 114.95 3kiy s THR 107 Ca 0.00 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 60.72 3kiy s THR 107 Cb 0.00 -1.75 0.18 0.00 0.01 0.00 0.00 72.50 70.94 3kiy s THR 107 CO 0.00 -0.06 0.91 -0.81 -0.69 0.00 0.00 174.62 173.97 3kiy n PRO 108 N 4.69 -1.29 -0.06 4.92 -0.04 -1.24 -4.77 135.00 137.22 3kiy n PRO 108 Ca -0.12 -0.33 -0.14 0.00 -0.04 0.00 0.00 63.50 62.87 3kiy n PRO 108 Cb 0.44 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 3kiy n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy h ALA 109 N -2.17 0.31 -0.12 0.55 0.00 -1.31 -3.27 119.26 113.24 3kiy h ALA 109 Ca -0.51 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 53.99 3kiy h ALA 109 Cb 1.30 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3kiy h ALA 109 CO 0.43 0.38 -0.49 0.78 0.00 0.00 0.00 179.25 180.35 3kiy h GLY 110 N 0.27 -1.15 -0.94 0.00 0.00 -1.89 -0.23 103.07 99.13 3kiy h GLY 110 Ca 0.01 0.68 0.38 0.00 0.00 0.00 0.00 47.33 48.40 3kiy h GLY 110 CO 0.08 -0.24 0.45 -0.62 0.00 0.00 0.00 176.54 176.21 3kiy n VAL 111 N -5.12 -0.40 0.00 4.60 0.31 -1.24 -0.30 118.33 116.19 3kiy n VAL 111 Ca -0.05 1.94 0.00 0.00 -0.01 0.00 0.00 64.34 66.21 3kiy n VAL 111 Cb 0.34 -3.10 0.00 0.00 -0.91 0.00 0.00 33.84 30.16 3kiy n VAL 111 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kiy n ARG 112 N -5.17 0.00 -0.35 5.55 0.00 -0.17 -2.70 116.66 113.83 3kiy n ARG 112 Ca 0.34 0.39 0.29 0.00 -0.00 0.00 0.00 57.85 58.88 3kiy n ARG 112 Cb 1.15 -1.29 0.45 0.00 0.00 0.00 0.00 32.46 32.77 3kiy n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kiy n ALA 113 N -1.68 1.04 0.00 5.13 0.00 0.59 -4.53 120.51 121.06 3kiy n ALA 113 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kiy n ALA 113 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3kiy n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 114 N -1.54 0.97 0.00 0.00 0.00 -0.31 -5.10 105.19 99.21 3kiy n GLY 114 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3kiy n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 115 N 0.00 6.89 3.34 -0.02 0.00 -1.07 -4.12 105.19 110.20 3kiy n GLY 115 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 3kiy n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kiy s VAL 116 N 1.31 -0.01 -0.26 1.61 1.01 -1.06 -4.50 120.40 118.50 3kiy s VAL 116 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3kiy s VAL 116 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3kiy s VAL 116 CO 0.00 0.02 1.50 -0.22 0.00 0.00 0.00 175.10 176.40 3kiy s LEU 117 N 0.83 3.85 -0.38 3.92 2.96 -1.26 -2.22 118.68 126.39 3kiy s LEU 117 Ca -0.05 1.41 -0.21 0.00 -0.22 0.00 0.00 54.13 55.07 3kiy s LEU 117 Cb -0.06 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.11 3kiy s LEU 117 CO -0.06 -1.23 0.65 -1.58 -1.32 0.00 0.00 176.35 172.80 3kiy s GLN 118 N 4.56 3.58 0.00 1.98 0.74 0.74 -4.92 119.66 126.34 3kiy s GLN 118 Ca 0.66 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 56.03 3kiy s GLN 118 Cb -0.21 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.05 3kiy s GLN 118 CO 0.28 -0.82 0.64 -0.85 -0.55 0.00 0.00 175.29 173.99 3kiy n GLU 119 N 6.13 0.54 0.00 1.67 0.28 -1.26 -1.74 120.64 126.26 3kiy n GLU 119 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 3kiy n GLU 119 Cb 0.48 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.12 3kiy n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3kiy n ILE 120 N 0.91 0.00 -2.71 3.84 2.08 -1.26 -1.83 119.36 120.39 3kiy n ILE 120 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 3kiy n ILE 120 Cb 0.27 0.00 0.10 0.00 -0.75 0.00 0.00 39.64 39.26 3kiy n ILE 120 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 3kiy n HIS 121 N -1.77 -2.07 -0.18 1.39 -0.00 -0.24 -4.91 115.22 107.44 3kiy n HIS 121 Ca 0.00 -1.67 -0.02 0.00 0.46 0.00 0.00 57.72 56.48 3kiy n HIS 121 Cb 0.00 1.49 -0.03 0.00 -0.12 0.00 0.00 29.99 31.33 3kiy n HIS 121 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3kiy n ARG 122 N 0.31 0.37 -3.64 1.57 1.85 -0.76 -4.56 116.66 111.79 3kiy n ARG 122 Ca 0.01 -0.21 -0.04 0.00 -1.00 0.00 0.00 57.85 56.61 3kiy n ARG 122 Cb 0.72 -1.62 -0.07 0.00 -1.05 0.00 0.00 32.46 30.45 3kiy n ARG 122 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3kiy s ASP 123 N 2.93 -0.12 -0.02 2.89 2.15 -1.26 -4.06 116.67 119.16 3kiy s ASP 123 Ca 0.12 0.23 -0.00 0.00 0.43 0.00 0.00 52.55 53.32 3kiy s ASP 123 Cb 0.05 0.23 0.03 0.00 -0.30 0.00 0.00 42.92 42.93 3kiy s ASP 123 CO -0.00 -0.05 0.03 0.27 -0.17 0.00 0.00 175.17 175.26 3kiy s ILE 124 N -0.05 -0.06 0.17 4.11 -4.36 -0.64 -4.93 121.20 115.44 3kiy s ILE 124 Ca 0.07 0.26 -0.30 0.00 -0.26 0.00 0.00 60.65 60.41 3kiy s ILE 124 Cb -0.05 -0.11 -0.08 0.00 1.25 0.00 0.00 42.46 43.48 3kiy s ILE 124 CO -0.13 0.11 1.27 -0.22 0.24 0.00 0.00 174.94 176.21 3kiy s LEU 125 N 1.31 4.42 -0.28 0.37 2.96 -1.26 -0.22 118.68 125.99 3kiy s LEU 125 Ca -0.06 2.30 -0.20 0.00 -0.22 0.00 0.00 54.13 55.95 3kiy s LEU 125 Cb -0.13 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.05 3kiy s LEU 125 CO -0.03 -0.48 0.78 0.68 -1.32 0.00 0.00 176.35 175.98 3kiy s VAL 126 N 0.23 0.00 0.28 1.68 -7.23 0.36 -1.18 120.40 114.54 3kiy s VAL 126 Ca 0.56 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 3kiy s VAL 126 Cb -0.34 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.50 3kiy s VAL 126 CO 0.36 0.00 0.99 -1.59 -0.31 0.00 0.00 175.10 174.55 3kiy s LYS 127 N 1.00 4.69 -0.30 4.82 -2.85 -1.07 -2.39 119.74 123.64 3kiy s LYS 127 Ca -0.05 1.54 -0.15 0.00 -1.00 0.00 0.00 55.97 56.31 3kiy s LYS 127 Cb -0.05 -3.10 0.17 0.00 -2.06 0.00 0.00 37.83 32.80 3kiy s LYS 127 CO -0.11 0.34 1.14 0.54 0.10 0.00 0.00 175.35 177.36 3kiy s VAL 128 N -1.30 -0.20 0.84 1.79 0.11 -1.11 -3.20 120.40 117.32 3kiy s VAL 128 Ca 0.45 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.35 3kiy s VAL 128 Cb -0.26 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.46 3kiy s VAL 128 CO 0.32 0.00 -0.66 -1.54 -3.33 0.00 0.00 175.10 169.90 3kiy n SER 129 N 5.48 -5.11 0.34 3.54 3.41 -1.25 -4.35 113.62 115.68 3kiy n SER 129 Ca -0.08 0.19 0.19 0.00 -0.26 0.00 0.00 58.87 58.91 3kiy n SER 129 Cb 0.54 -0.67 1.00 0.00 -0.26 0.00 0.00 64.21 64.83 3kiy n SER 129 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kiy h PRO 130 N -0.80 0.00 0.00 4.33 0.11 -1.69 -2.95 132.00 131.00 3kiy h PRO 130 Ca -0.38 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kiy h PRO 130 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kiy h PRO 130 CO 0.21 0.00 -0.30 0.07 -0.21 0.00 0.00 178.00 177.78 3kiy h ARG 131 N 0.00 0.00 -5.87 1.05 0.11 -1.88 -3.42 114.38 104.37 3kiy h ARG 131 Ca 0.00 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.58 3kiy h ARG 131 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 3kiy h ARG 131 CO 0.00 0.01 1.48 -0.80 0.10 0.00 0.00 179.97 180.75 3kiy s ASN 132 N -5.66 5.02 -0.56 0.08 0.01 -1.12 -4.84 114.94 107.88 3kiy s ASN 132 Ca -0.09 0.96 0.07 0.00 -0.71 0.00 0.00 52.86 53.09 3kiy s ASN 132 Cb 0.01 -2.51 0.24 0.00 0.41 0.00 0.00 41.25 39.40 3kiy s ASN 132 CO 0.13 -2.45 0.65 -0.38 -1.51 0.00 0.00 177.10 173.54 3kiy n ILE 133 N 7.63 1.23 -0.94 0.60 2.08 -1.26 -4.36 119.36 124.34 3kiy n ILE 133 Ca 0.29 -4.76 -0.36 0.00 0.56 0.00 0.00 62.75 58.48 3kiy n ILE 133 Cb 0.52 -2.05 0.03 0.00 -0.75 0.00 0.00 39.64 37.39 3kiy n ILE 133 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3kiy n PRO 134 N 1.15 0.00 -3.29 0.38 -0.04 -1.26 -5.04 135.00 126.90 3kiy n PRO 134 Ca 0.27 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3kiy n PRO 134 Cb 0.45 -0.94 -0.04 0.00 -0.04 0.00 0.00 33.50 32.93 3kiy n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kiy n GLU 135 N 2.36 0.66 0.00 0.54 -0.58 -1.26 -4.97 120.64 117.38 3kiy n GLU 135 Ca -0.02 -1.86 0.00 0.00 -0.42 0.00 0.00 57.16 54.86 3kiy n GLU 135 Cb 0.65 1.09 0.00 0.00 -0.57 0.00 0.00 31.44 32.61 3kiy n GLU 135 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 3kiy n PHE 136 N -0.47 0.00 -1.31 -0.32 1.16 -1.26 -4.72 117.46 110.54 3kiy n PHE 136 Ca -0.02 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.11 3kiy n PHE 136 Cb 0.33 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.17 3kiy n PHE 136 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3kiy n ILE 137 N 0.00 1.80 -2.57 1.97 2.08 -1.18 -4.52 119.36 116.94 3kiy n ILE 137 Ca 0.00 -0.47 -0.43 0.00 0.56 0.00 0.00 62.75 62.41 3kiy n ILE 137 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.87 3kiy n ILE 137 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3kiy s GLU 138 N -0.94 4.20 -0.22 0.38 0.41 -1.25 -2.86 118.70 118.42 3kiy s GLU 138 Ca 0.60 1.41 -0.03 0.00 -0.41 0.00 0.00 54.97 56.53 3kiy s GLU 138 Cb -0.85 -3.71 -0.00 0.00 -1.78 0.00 0.00 34.13 27.79 3kiy s GLU 138 CO 0.53 -0.72 -0.05 0.08 -0.49 0.00 0.00 175.26 174.61 3kiy s VAL 139 N 3.43 3.27 -0.86 2.63 1.01 -1.14 -2.83 120.40 125.92 3kiy s VAL 139 Ca 0.48 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3kiy s VAL 139 Cb -0.17 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3kiy s VAL 139 CO 0.11 0.39 2.03 0.47 0.00 0.00 0.00 175.10 178.11 3kiy n ASP 140 N 4.78 4.61 -4.49 3.32 9.92 -1.26 -3.67 116.55 129.75 3kiy n ASP 140 Ca -0.18 -2.30 -0.43 0.00 -0.53 0.00 0.00 54.79 51.35 3kiy n ASP 140 Cb 0.50 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 3kiy n ASP 140 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3kiy n VAL 141 N 4.26 3.98 0.06 2.53 0.31 -1.20 -4.41 118.33 123.87 3kiy n VAL 141 Ca 0.42 -4.17 0.00 0.00 -0.01 0.00 0.00 64.34 60.58 3kiy n VAL 141 Cb 0.12 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 30.66 3kiy n VAL 141 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kiy n SER 142 N 7.64 0.17 -2.03 4.52 3.41 -1.26 -3.03 113.62 123.04 3kiy n SER 142 Ca 0.47 0.19 -0.17 0.00 -0.26 0.00 0.00 58.87 59.09 3kiy n SER 142 Cb 0.45 0.06 0.19 0.00 -0.26 0.00 0.00 64.21 64.65 3kiy n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kiy n GLY 143 N 2.29 3.99 3.75 5.00 0.00 -1.26 -3.59 105.19 115.37 3kiy n GLY 143 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3kiy n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kiy s LEU 144 N -2.84 4.42 -0.08 0.99 2.01 -1.26 -4.73 118.68 117.19 3kiy s LEU 144 Ca 0.50 2.55 0.05 0.00 0.01 0.00 0.00 54.13 57.24 3kiy s LEU 144 Cb 0.41 -3.62 -0.01 0.00 0.01 0.00 0.00 46.19 42.98 3kiy s LEU 144 CO 0.10 -0.57 -0.23 -0.70 1.01 0.00 0.00 176.35 175.97 3kiy s GLU 145 N -0.67 2.80 -0.77 1.70 2.56 -1.26 -1.34 118.70 121.72 3kiy s GLU 145 Ca 0.55 -0.86 -0.19 0.00 0.00 0.00 0.00 54.97 54.47 3kiy s GLU 145 Cb -0.39 -2.27 -0.17 0.00 2.00 0.00 0.00 34.13 33.30 3kiy s GLU 145 CO 0.44 0.31 1.89 0.44 -0.56 0.00 0.00 175.26 177.78 3kiy n ILE 146 N 3.16 0.00 0.00 -3.70 -5.35 -1.26 -1.95 119.36 110.25 3kiy n ILE 146 Ca -0.18 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3kiy n ILE 146 Cb 0.52 -1.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 3kiy n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kiy n GLY 147 N 5.79 0.21 3.10 3.28 0.00 -1.23 -4.84 105.19 111.50 3kiy n GLY 147 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 3kiy n GLY 147 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kiy s ASP 148 N 0.00 0.85 0.34 1.61 1.47 -0.82 -5.12 116.67 114.99 3kiy s ASP 148 Ca 0.00 -0.78 0.06 0.00 1.18 0.00 0.00 52.55 53.01 3kiy s ASP 148 Cb 0.00 0.09 -0.03 0.00 -0.34 0.00 0.00 42.92 42.64 3kiy s ASP 148 CO 0.00 -0.37 0.24 -0.55 0.68 0.00 0.00 175.17 175.17 3kiy s SER 149 N -2.30 1.81 -0.18 2.11 0.15 -1.26 -4.29 113.70 109.73 3kiy s SER 149 Ca -0.00 -1.72 -0.05 0.00 0.70 0.00 0.00 55.95 54.88 3kiy s SER 149 Cb -0.02 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 3kiy s SER 149 CO -0.03 -1.02 0.01 -1.48 1.20 0.00 0.00 173.24 171.91 3kiy s LEU 150 N -3.41 3.41 0.00 3.45 2.34 -1.25 -5.07 118.68 118.15 3kiy s LEU 150 Ca 0.37 -0.10 0.00 0.00 0.06 0.00 0.00 54.13 54.46 3kiy s LEU 150 Cb 0.03 -1.85 0.00 0.00 -0.56 0.00 0.00 46.19 43.81 3kiy s LEU 150 CO 0.24 0.13 0.00 1.41 -1.06 0.00 0.00 176.35 177.07 3kiy n HIS 151 N 3.82 0.00 0.00 3.48 -0.00 -1.26 -3.35 115.22 117.91 3kiy n HIS 151 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 3kiy n HIS 151 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3kiy n HIS 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kiy n ALA 152 N -3.00 0.00 0.70 -1.41 0.00 -1.26 -3.91 120.51 111.62 3kiy n ALA 152 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3kiy n ALA 152 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3kiy n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kiy n SER 153 N 0.00 1.78 -1.93 0.00 2.88 -1.26 -4.60 113.62 110.49 3kiy n SER 153 Ca 0.00 -2.15 -0.01 0.00 -1.33 0.00 0.00 58.87 55.38 3kiy n SER 153 Cb 0.00 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 3kiy n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kiy n ASP 154 N 0.10 2.17 -3.86 -3.46 10.43 -1.25 -4.75 116.55 115.92 3kiy n ASP 154 Ca 0.05 -1.66 -0.10 0.00 2.57 0.00 0.00 54.79 55.64 3kiy n ASP 154 Cb 0.41 -0.49 -0.08 0.00 1.84 0.00 0.00 41.12 42.79 3kiy n ASP 154 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 3kiy s LEU 155 N 0.00 1.46 -0.08 0.64 2.34 -1.26 -4.69 118.68 117.09 3kiy s LEU 155 Ca 0.07 -0.50 -0.30 0.00 0.06 0.00 0.00 54.13 53.47 3kiy s LEU 155 Cb 0.04 0.93 -0.05 0.00 -0.56 0.00 0.00 46.19 46.55 3kiy s LEU 155 CO 0.00 -0.61 1.54 -0.75 -1.06 0.00 0.00 176.35 175.47 3kiy s LYS 156 N -3.05 4.20 -0.16 1.48 2.20 -1.13 -5.01 119.74 118.26 3kiy s LYS 156 Ca -0.01 2.05 -0.02 0.00 -0.36 0.00 0.00 55.97 57.63 3kiy s LYS 156 Cb 0.01 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 3kiy s LYS 156 CO -0.07 -0.79 -0.10 -0.48 -0.36 0.00 0.00 175.35 173.55 3kiy s LEU 157 N 3.79 2.80 0.57 5.43 2.34 -1.26 -3.94 118.68 128.41 3kiy s LEU 157 Ca 0.68 -0.34 -0.21 0.00 0.06 0.00 0.00 54.13 54.32 3kiy s LEU 157 Cb -0.30 -1.66 -0.04 0.00 -0.56 0.00 0.00 46.19 43.63 3kiy s LEU 157 CO 0.26 0.10 1.34 -2.84 -1.06 0.00 0.00 176.35 174.14 3kiy s PRO 158 N 0.75 2.98 -0.24 1.48 0.02 -1.26 -4.86 135.00 133.88 3kiy s PRO 158 Ca -0.04 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 3kiy s PRO 158 Cb -0.15 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 3kiy s PRO 158 CO 0.02 -1.29 2.23 -2.30 -0.33 0.00 0.00 177.00 175.32 3kiy n PRO 159 N -1.27 1.85 0.00 5.54 -0.02 -1.26 -2.69 135.00 137.15 3kiy n PRO 159 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3kiy n PRO 159 Cb 0.46 -3.15 0.00 0.00 -0.02 0.00 0.00 33.50 30.79 3kiy n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kiy n GLY 160 N 5.88 1.82 2.99 -1.23 0.00 -1.26 -5.03 105.19 108.35 3kiy n GLY 160 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3kiy n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kiy s VAL 161 N -2.00 -0.12 -0.04 1.61 1.01 -1.09 -4.59 120.40 115.18 3kiy s VAL 161 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.24 3kiy s VAL 161 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3kiy s VAL 161 CO 0.00 0.08 -0.23 -1.83 0.00 0.00 0.00 175.10 173.12 3kiy s GLU 162 N 1.50 2.15 0.06 2.72 1.03 -1.19 -4.76 118.70 120.20 3kiy s GLU 162 Ca -0.07 -0.84 -0.30 0.00 0.03 0.00 0.00 54.97 53.79 3kiy s GLU 162 Cb -0.11 -1.94 -0.10 0.00 -0.80 0.00 0.00 34.13 31.19 3kiy s GLU 162 CO -0.08 0.43 1.94 1.47 -1.33 0.00 0.00 175.26 177.69 3kiy n LEU 163 N 2.75 4.14 -4.09 1.83 -0.00 -1.26 -2.58 117.00 117.79 3kiy n LEU 163 Ca -0.17 0.93 -0.43 0.00 -0.00 0.00 0.00 56.01 56.33 3kiy n LEU 163 Cb 0.52 -1.53 0.01 0.00 -0.00 0.00 0.00 43.42 42.41 3kiy n LEU 163 CO 0.24 0.20 1.14 0.00 -0.00 0.00 0.00 177.39 178.97 3kiy n ALA 164 N 6.99 4.92 -2.00 1.47 0.00 -0.33 -4.78 120.51 126.79 3kiy n ALA 164 Ca 0.19 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.93 3kiy n ALA 164 Cb 0.40 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3kiy n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kiy n VAL 165 N 1.96 0.00 0.13 0.00 0.31 -1.26 -4.58 118.33 114.89 3kiy n VAL 165 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3kiy n VAL 165 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3kiy n VAL 165 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kiy n SER 166 N 0.00 -0.01 -4.95 4.52 3.41 -1.26 -5.02 113.62 110.31 3kiy n SER 166 Ca 0.00 0.43 -0.20 0.00 -0.26 0.00 0.00 58.87 58.84 3kiy n SER 166 Cb 0.00 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3kiy n SER 166 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3kiy s PRO 167 N -1.93 3.05 0.00 4.33 0.04 -1.26 -5.10 135.00 134.13 3kiy s PRO 167 Ca 0.00 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 59.98 3kiy s PRO 167 Cb 0.00 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3kiy s PRO 167 CO 0.00 0.12 0.00 -1.91 0.04 0.00 0.00 177.00 175.25 3kiy n GLU 168 N -1.53 0.00 -0.08 4.56 4.07 -1.26 -4.79 120.64 121.60 3kiy n GLU 168 Ca -0.02 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.07 3kiy n GLU 168 Cb 0.58 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.95 3kiy n GLU 168 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3kiy n GLU 169 N 0.00 0.17 0.00 5.31 4.07 -1.26 -4.72 120.64 124.21 3kiy n GLU 169 Ca 0.00 -0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3kiy n GLU 169 Cb 0.00 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 3kiy n GLU 169 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3kiy n THR 170 N 2.72 0.00 0.00 6.31 -1.04 -1.26 -4.69 114.28 116.33 3kiy n THR 170 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3kiy n THR 170 Cb 0.08 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 3kiy n THR 170 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kiy n ILE 171 N 0.00 0.00 -4.46 12.58 0.13 -1.22 -4.75 119.36 121.63 3kiy n ILE 171 Ca 0.00 0.49 -0.24 0.00 -1.10 0.00 0.00 62.75 61.90 3kiy n ILE 171 Cb 0.00 -0.68 -0.08 0.00 -0.84 0.00 0.00 39.64 38.04 3kiy n ILE 171 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kiy s ALA 172 N -2.26 2.68 0.06 1.51 0.00 -1.21 -1.08 121.76 121.46 3kiy s ALA 172 Ca 0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.29 3kiy s ALA 172 Cb 0.00 0.91 0.09 0.00 0.00 0.00 0.00 23.12 24.13 3kiy s ALA 172 CO 0.00 -0.41 1.18 0.00 0.00 0.00 0.00 175.76 176.54 3kiy s ALA 173 N -3.27 -2.09 -0.01 0.00 0.00 -0.71 -3.93 121.76 111.74 3kiy s ALA 173 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 3kiy s ALA 173 Cb 0.02 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3kiy s ALA 173 CO 0.17 -1.10 0.03 0.08 0.00 0.00 0.00 175.76 174.94 3kiy s VAL 174 N -2.24 0.01 0.30 0.00 1.01 -1.26 0.26 120.40 118.48 3kiy s VAL 174 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3kiy s VAL 174 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 3kiy s VAL 174 CO 0.01 -0.05 0.32 0.68 0.00 0.00 0.00 175.10 176.06 3kiy s VAL 175 N -0.13 0.00 0.48 2.92 -7.23 -0.94 -3.57 120.40 111.93 3kiy s VAL 175 Ca -0.02 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 3kiy s VAL 175 Cb -0.01 -2.52 -0.13 0.00 0.56 0.00 0.00 36.38 34.28 3kiy s VAL 175 CO -0.00 0.00 0.28 -0.81 -0.31 0.00 0.00 175.10 174.26 3kiy n PRO 176 N -0.50 0.29 -3.48 4.82 -0.04 -1.26 -2.56 135.00 132.27 3kiy n PRO 176 Ca 0.03 0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 3kiy n PRO 176 Cb 0.63 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 3kiy n PRO 176 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kiy s PRO 177 N -1.44 3.87 0.06 0.54 0.04 -1.26 -4.68 135.00 132.13 3kiy s PRO 177 Ca 0.62 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 3kiy s PRO 177 Cb -0.54 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 30.90 3kiy s PRO 177 CO 0.60 0.55 1.79 -2.00 0.04 0.00 0.00 177.00 177.98 3kiy s GLU 178 N -1.80 4.16 -0.10 4.56 2.56 -1.26 -4.95 118.70 121.87 3kiy s GLU 178 Ca 0.33 2.48 0.02 0.00 0.00 0.00 0.00 54.97 57.80 3kiy s GLU 178 Cb -0.15 -3.79 0.01 0.00 2.00 0.00 0.00 34.13 32.20 3kiy s GLU 178 CO 0.18 -0.84 -0.16 0.34 -0.56 0.00 0.00 175.26 174.22 3kiy s ASP 179 N 3.15 2.40 0.58 -1.70 -1.08 -1.26 -5.02 116.67 113.74 3kiy s ASP 179 Ca 0.80 -0.42 0.28 0.00 -0.52 0.00 0.00 52.55 52.68 3kiy s ASP 179 Cb -0.42 -1.08 1.66 0.00 -1.46 0.00 0.00 42.92 41.62 3kiy s ASP 179 CO 0.36 0.04 2.15 0.58 0.52 0.00 0.00 175.17 178.81 3kiy h VAL 180 N 5.93 0.55 0.00 1.11 2.07 -2.07 -1.98 116.25 121.87 3kiy h VAL 180 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kiy h VAL 180 Cb 1.18 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3kiy h VAL 180 CO 0.49 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.46 3kiy n GLU 181 N -3.92 0.11 -4.36 1.57 -0.58 -1.26 -4.58 120.64 107.62 3kiy n GLU 181 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 3kiy n GLU 181 Cb 0.24 -1.03 -0.13 0.00 -0.57 0.00 0.00 31.44 29.94 3kiy n GLU 181 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kiy s LYS 182 N -1.39 3.54 0.09 3.49 1.02 -0.74 -5.09 119.74 120.65 3kiy s LYS 182 Ca 0.00 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 3kiy s LYS 182 Cb 0.00 -2.88 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3kiy s LYS 182 CO 0.00 0.12 0.44 -1.17 -0.92 0.00 0.00 175.35 173.83 3kiy s LEU 183 N 0.65 0.23 0.00 3.17 0.20 -1.26 -5.08 118.68 116.60 3kiy s LEU 183 Ca -0.03 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.69 3kiy s LEU 183 Cb -0.15 1.92 0.00 0.00 -0.43 0.00 0.00 46.19 47.54 3kiy s LEU 183 CO 0.02 -0.78 0.00 0.00 -0.29 0.00 0.00 176.35 175.31 3kiy n ALA 184 N 0.12 0.00 0.00 5.97 0.00 -1.26 -5.02 120.51 120.32 3kiy n ALA 184 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3kiy n ALA 184 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3kiy n ALA 184 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kiy n GLU 185 N 0.00 0.00 0.00 0.00 2.13 -1.26 -5.36 120.64 116.15 3kiy n GLU 185 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 3kiy n GLU 185 Cb 0.00 0.00 0.25 0.00 0.27 0.00 0.00 31.44 31.96 3kiy n GLU 185 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11