#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy s ARG 3 N 0.00 3.06 -1.07 0.54 3.52 -1.26 -4.99 118.95 118.76 3kiy s ARG 3 Ca 0.00 -1.20 -0.17 0.00 -0.13 0.00 0.00 55.73 54.23 3kiy s ARG 3 Cb 0.00 -4.23 0.13 0.00 -1.56 0.00 0.00 34.95 29.29 3kiy s ARG 3 CO 0.00 -1.50 1.32 0.00 -0.81 0.00 0.00 175.30 174.31 3kiy s ALA 4 N 2.77 3.50 1.02 6.12 0.00 -1.26 -5.01 121.76 128.90 3kiy s ALA 4 Ca 0.13 -2.92 -0.12 0.00 0.00 0.00 0.00 51.96 49.04 3kiy s ALA 4 Cb -0.23 -4.18 0.20 0.00 0.00 0.00 0.00 23.12 18.91 3kiy s ALA 4 CO 0.08 -3.01 1.08 -1.59 0.00 0.00 0.00 175.76 172.31 3kiy s LYS 5 N 2.71 0.25 0.16 0.00 -2.85 -1.26 -4.92 119.74 113.83 3kiy s LYS 5 Ca 0.39 0.73 -0.17 0.00 -1.00 0.00 0.00 55.97 55.93 3kiy s LYS 5 Cb -0.03 -1.70 0.09 0.00 -2.06 0.00 0.00 37.83 34.13 3kiy s LYS 5 CO -0.05 -2.91 1.69 1.15 0.10 0.00 0.00 175.35 175.34 3kiy h THR 6 N -2.03 0.70 0.00 3.79 2.02 -2.04 -3.45 112.91 111.90 3kiy h THR 6 Ca -0.55 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3kiy h THR 6 Cb 1.32 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3kiy h THR 6 CO 0.54 0.01 0.00 0.61 0.37 0.00 0.00 175.52 177.05 3kiy n GLY 7 N -1.27 1.52 0.00 2.16 0.00 -1.26 -2.93 105.19 103.42 3kiy n GLY 7 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3kiy n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kiy n VAL 8 N 0.00 0.00 -0.08 1.61 3.14 -1.26 -4.91 118.33 116.83 3kiy n VAL 8 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 3kiy n VAL 8 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 3kiy n VAL 8 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3kiy n VAL 9 N -0.73 -0.10 -0.02 1.55 0.31 -1.15 -0.20 118.33 117.99 3kiy n VAL 9 Ca 0.00 0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 64.74 3kiy n VAL 9 Cb 0.00 -0.75 -0.10 0.00 -0.91 0.00 0.00 33.84 32.08 3kiy n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kiy h ARG 10 N 0.00 -0.04 -0.77 5.55 2.43 -1.91 -2.76 114.38 116.87 3kiy h ARG 10 Ca 0.12 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.48 3kiy h ARG 10 Cb 0.21 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.65 3kiy h ARG 10 CO -0.24 0.61 0.11 -0.09 -1.51 0.00 0.00 179.97 178.85 3kiy h ARG 11 N -0.77 0.17 0.05 0.20 2.43 -0.94 -1.04 114.38 114.47 3kiy h ARG 11 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kiy h ARG 11 Cb 0.67 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3kiy h ARG 11 CO 0.01 0.11 -0.15 0.00 -1.51 0.00 0.00 179.97 178.43 3kiy h ARG 12 N 0.18 -0.21 -1.32 0.20 2.47 -1.44 -0.85 114.38 113.40 3kiy h ARG 12 Ca 0.44 0.01 0.43 0.00 -1.26 0.00 0.00 59.98 59.60 3kiy h ARG 12 Cb 0.79 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 29.04 3kiy h ARG 12 CO -0.61 -0.14 0.85 0.87 0.56 0.00 0.00 179.97 181.50 3kiy h LYS 13 N -0.22 0.10 0.00 0.04 1.79 -1.02 -0.53 116.57 116.73 3kiy h LYS 13 Ca -0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3kiy h LYS 13 Cb 0.22 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3kiy h LYS 13 CO -0.07 0.06 -0.00 0.45 -1.08 0.00 0.00 179.45 178.81 3kiy h HIS 14 N 0.10 -0.00 0.00 -1.35 3.86 -0.63 -3.25 115.15 113.88 3kiy h HIS 14 Ca 0.81 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 60.01 3kiy h HIS 14 Cb 2.53 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 31.00 3kiy h HIS 14 CO -0.01 0.91 -0.03 1.57 0.86 0.00 0.00 177.93 181.24 3kiy h LYS 15 N -0.97 0.00 0.00 2.45 2.10 -0.16 0.80 116.57 120.79 3kiy h LYS 15 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kiy h LYS 15 Cb 0.91 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.24 3kiy h LYS 15 CO 0.00 0.03 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.25 3kiy h LYS 16 N 0.00 0.00 0.00 0.07 3.64 -1.16 -2.82 116.57 116.30 3kiy h LYS 16 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3kiy h LYS 16 Cb 0.11 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 3kiy h LYS 16 CO 0.00 0.01 -2.13 -0.89 -2.27 0.00 0.00 179.45 174.17 3kiy n ILE 17 N -3.53 1.14 0.27 2.00 5.41 0.23 -4.17 119.36 120.71 3kiy n ILE 17 Ca -0.03 -0.53 0.18 0.00 1.00 0.00 0.00 62.75 63.38 3kiy n ILE 17 Cb 0.10 -0.99 0.93 0.00 -0.71 0.00 0.00 39.64 38.97 3kiy n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kiy h LEU 18 N 0.00 0.00 -0.34 1.39 3.38 -1.35 0.27 115.31 118.66 3kiy h LEU 18 Ca -0.45 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.34 3kiy h LEU 18 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 3kiy h LEU 18 CO -0.04 0.00 -0.54 0.50 0.09 0.00 0.00 178.44 178.45 3kiy h LYS 19 N 0.00 0.84 -0.52 1.13 3.64 -1.67 -2.62 116.57 117.37 3kiy h LYS 19 Ca 0.04 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 3kiy h LYS 19 Cb 0.40 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3kiy h LYS 19 CO -0.00 1.16 -0.14 -0.07 -2.27 0.00 0.00 179.45 178.13 3kiy h LEU 20 N 0.64 1.01 0.00 5.20 -0.00 -0.68 -2.81 115.31 118.67 3kiy h LEU 20 Ca 0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 3kiy h LEU 20 Cb 1.14 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 3kiy h LEU 20 CO 0.12 1.14 0.00 0.00 -0.00 0.00 0.00 178.44 179.70 3kiy n ALA 21 N -2.51 2.48 -1.64 1.53 0.00 -0.55 -4.88 120.51 114.94 3kiy n ALA 21 Ca 0.01 -0.12 -0.46 0.00 0.00 0.00 0.00 53.44 52.86 3kiy n ALA 21 Cb 0.42 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3kiy n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kiy n LYS 22 N -0.85 1.72 0.00 0.00 4.76 -1.00 -1.44 118.16 121.35 3kiy n LYS 22 Ca 0.15 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 3kiy n LYS 22 Cb 0.07 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 3kiy n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kiy n GLY 23 N 2.24 3.36 3.68 0.72 0.00 -1.26 -5.06 105.19 108.87 3kiy n GLY 23 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3kiy n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kiy s TYR 24 N -2.51 1.91 -0.04 1.61 4.12 -0.52 -4.94 117.35 116.98 3kiy s TYR 24 Ca 0.00 1.59 -0.30 0.00 0.02 0.00 0.00 57.07 58.38 3kiy s TYR 24 Cb 0.00 -3.21 -0.03 0.00 -1.52 0.00 0.00 41.96 37.19 3kiy s TYR 24 CO 0.00 -2.64 1.18 -0.46 0.02 0.00 0.00 175.55 173.64 3kiy s TRP 25 N -2.73 3.27 0.00 2.71 -0.11 -1.26 -4.30 118.94 116.52 3kiy s TRP 25 Ca 0.65 1.28 0.00 0.00 1.22 0.00 0.00 56.10 59.25 3kiy s TRP 25 Cb -0.21 -3.39 0.00 0.00 -1.50 0.00 0.00 33.47 28.37 3kiy s TRP 25 CO 0.58 -1.17 0.00 0.41 -4.62 0.00 0.00 176.95 172.15 3kiy n GLY 26 N 3.30 2.68 0.50 5.86 0.00 -1.26 -0.96 105.19 115.33 3kiy n GLY 26 Ca 0.10 -0.03 0.33 0.00 0.00 0.00 0.00 46.02 46.42 3kiy n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kiy h LEU 27 N 0.00 0.14 -1.98 0.99 3.38 -1.98 0.23 115.31 116.09 3kiy h LEU 27 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kiy h LEU 27 Cb 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kiy h LEU 27 CO 0.00 0.01 0.38 0.03 0.09 0.00 0.00 178.44 178.94 3kiy h ARG 28 N 0.11 0.00 -0.00 1.13 3.08 -1.33 0.81 114.38 118.18 3kiy h ARG 28 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 3kiy h ARG 28 Cb 2.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.24 3kiy h ARG 28 CO -0.12 0.00 -0.15 -1.13 -1.07 0.00 0.00 179.97 177.50 3kiy n SER 29 N -3.24 0.66 -0.08 7.04 3.41 0.06 -3.44 113.62 118.04 3kiy n SER 29 Ca 0.02 -0.83 -0.08 0.00 -0.26 0.00 0.00 58.87 57.72 3kiy n SER 29 Cb 0.48 0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 64.96 3kiy n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kiy n LYS 30 N -0.62 1.47 -2.81 4.33 4.76 -0.70 -4.77 118.16 119.81 3kiy n LYS 30 Ca 0.02 -0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 3kiy n LYS 30 Cb 0.10 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 3kiy n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kiy s SER 31 N -4.92 6.39 0.00 4.39 0.15 0.19 -4.92 113.70 114.99 3kiy s SER 31 Ca -0.09 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3kiy s SER 31 Cb 0.05 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3kiy s SER 31 CO 0.61 -1.19 0.19 2.22 1.20 0.00 0.00 173.24 176.27 3kiy n PHE 32 N 7.45 0.00 0.02 3.44 -1.74 -1.26 -0.39 117.46 124.97 3kiy n PHE 32 Ca 0.04 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.92 3kiy n PHE 32 Cb 0.48 -0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.47 3kiy n PHE 32 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kiy n ARG 33 N -0.69 0.01 0.33 3.97 1.74 -1.26 -4.47 116.66 116.29 3kiy n ARG 33 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3kiy n ARG 33 Cb 0.01 -0.23 0.56 0.00 -1.02 0.00 0.00 32.46 31.78 3kiy n ARG 33 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kiy h LYS 34 N -0.02 0.00 0.42 5.56 1.79 -1.62 0.45 116.57 123.15 3kiy h LYS 34 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3kiy h LYS 34 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3kiy h LYS 34 CO 0.00 0.00 -0.20 0.00 -1.08 0.00 0.00 179.45 178.17 3kiy h ALA 35 N 0.92 -0.56 -0.21 3.86 0.00 -0.75 -2.39 119.26 120.13 3kiy h ALA 35 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3kiy h ALA 35 Cb 1.09 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3kiy h ALA 35 CO -0.00 -0.56 -0.34 -0.09 0.00 0.00 0.00 179.25 178.26 3kiy h ARG 36 N -1.08 -0.36 -0.64 0.00 2.43 -0.38 0.13 114.38 114.49 3kiy h ARG 36 Ca -0.06 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 3kiy h ARG 36 Cb 0.51 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.02 3kiy h ARG 36 CO 0.09 -0.24 -0.14 0.93 -1.51 0.00 0.00 179.97 179.11 3kiy h GLU 37 N -0.37 0.01 0.35 0.20 5.08 -1.36 0.12 114.58 118.60 3kiy h GLU 37 Ca 0.11 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3kiy h GLU 37 Cb 0.56 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kiy h GLU 37 CO -0.42 0.01 -0.17 1.15 -1.00 0.00 0.00 179.01 178.58 3kiy h THR 38 N 0.01 0.67 -0.99 1.13 2.02 -0.60 -2.96 112.91 112.19 3kiy h THR 38 Ca 0.31 -0.22 0.24 0.00 0.77 0.00 0.00 66.41 67.50 3kiy h THR 38 Cb 0.48 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 3kiy h THR 38 CO -0.64 0.05 0.64 -0.07 0.37 0.00 0.00 175.52 175.86 3kiy h LEU 39 N -0.60 0.45 0.45 2.58 3.38 0.15 0.90 115.31 122.62 3kiy h LEU 39 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kiy h LEU 39 Cb 0.44 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3kiy h LEU 39 CO 0.08 0.13 -0.42 -0.26 0.09 0.00 0.00 178.44 178.06 3kiy h PHE 40 N 0.42 -1.14 -0.61 1.13 0.05 -0.64 0.40 116.94 116.55 3kiy h PHE 40 Ca 0.54 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.34 3kiy h PHE 40 Cb 1.34 0.44 -0.03 0.00 2.00 0.00 0.00 35.95 39.70 3kiy h PHE 40 CO -0.00 -0.58 0.39 0.00 -0.18 0.00 0.00 178.31 177.93 3kiy h ALA 41 N -0.55 0.78 -0.31 2.45 0.00 -1.03 -1.94 119.26 118.66 3kiy h ALA 41 Ca -0.04 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kiy h ALA 41 Cb 0.77 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3kiy h ALA 41 CO -0.05 0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.54 3kiy h ALA 42 N 1.20 0.36 -0.55 0.00 0.00 -0.59 0.16 119.26 119.84 3kiy h ALA 42 Ca 0.22 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3kiy h ALA 42 Cb -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kiy h ALA 42 CO -0.04 -0.30 0.36 0.78 0.00 0.00 0.00 179.25 180.05 3kiy h GLY 43 N 0.24 0.73 1.94 0.00 0.00 0.13 -1.99 103.07 104.12 3kiy h GLY 43 Ca 0.14 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 3kiy h GLY 43 CO -0.15 0.23 -1.00 3.43 0.00 0.00 0.00 176.54 179.05 3kiy h ASN 44 N 0.65 0.00 -0.04 0.19 2.35 -0.51 -2.93 115.58 115.29 3kiy h ASN 44 Ca 0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3kiy h ASN 44 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3kiy h ASN 44 CO -0.06 0.96 0.00 1.88 -1.65 0.00 0.00 177.43 178.56 3kiy h TYR 45 N 0.00 0.08 -0.27 1.19 0.99 -0.36 -2.55 116.97 116.05 3kiy h TYR 45 Ca -0.02 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.74 3kiy h TYR 45 Cb 1.75 -0.02 -0.08 0.00 1.00 0.00 0.00 36.73 39.38 3kiy h TYR 45 CO 0.00 0.36 -0.46 0.00 -0.00 0.00 0.00 178.16 178.05 3kiy h ALA 46 N 0.71 -0.61 -0.51 3.88 0.00 -1.44 0.80 119.26 122.10 3kiy h ALA 46 Ca 0.01 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3kiy h ALA 46 Cb 0.33 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 3kiy h ALA 46 CO 0.00 -0.95 -0.39 -0.92 0.00 0.00 0.00 179.25 177.00 3kiy h TYR 47 N -0.43 -1.10 -0.47 0.00 3.20 -1.42 0.59 116.97 117.33 3kiy h TYR 47 Ca 0.09 0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3kiy h TYR 47 Cb 0.62 0.56 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 3kiy h TYR 47 CO -0.59 -0.41 -0.20 0.00 -1.64 0.00 0.00 178.16 175.32 3kiy h ALA 48 N 0.70 0.66 0.00 1.82 0.00 -0.93 -3.07 119.26 118.44 3kiy h ALA 48 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3kiy h ALA 48 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kiy h ALA 48 CO -0.63 0.64 -0.12 0.45 0.00 0.00 0.00 179.25 179.59 3kiy h HIS 49 N 0.82 0.00 0.48 0.00 3.86 0.14 -1.82 115.15 118.63 3kiy h HIS 49 Ca 0.11 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3kiy h HIS 49 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 3kiy h HIS 49 CO 0.05 0.12 -0.23 0.00 0.86 0.00 0.00 177.93 178.74 3kiy h ARG 50 N 0.00 -0.62 -0.19 2.45 3.08 -0.82 0.20 114.38 118.48 3kiy h ARG 50 Ca -0.00 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3kiy h ARG 50 Cb 0.46 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3kiy h ARG 50 CO 0.02 -0.41 0.44 0.87 -1.07 0.00 0.00 179.97 179.81 3kiy h LYS 51 N -0.91 0.00 0.13 0.04 1.57 -1.51 -0.73 116.57 115.15 3kiy h LYS 51 Ca -0.07 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 3kiy h LYS 51 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kiy h LYS 51 CO 0.11 0.00 -1.12 -0.09 -0.57 0.00 0.00 179.45 177.78 3kiy h ARG 52 N 0.00 0.27 -0.88 3.15 2.43 -1.04 -3.34 114.38 114.98 3kiy h ARG 52 Ca 0.09 -0.46 0.23 0.00 -0.81 0.00 0.00 59.98 59.03 3kiy h ARG 52 Cb 0.97 0.17 -0.13 0.00 -0.42 0.00 0.00 29.97 30.56 3kiy h ARG 52 CO -0.00 1.22 0.30 -0.09 -1.51 0.00 0.00 179.97 179.89 3kiy h ARG 53 N -0.34 0.28 -1.04 0.20 2.43 0.96 0.81 114.38 117.67 3kiy h ARG 53 Ca -0.23 -0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.22 3kiy h ARG 53 Cb 1.70 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 31.07 3kiy h ARG 53 CO 0.10 0.19 0.64 0.87 -1.51 0.00 0.00 179.97 180.25 3kiy h LYS 54 N 0.29 0.41 -0.00 0.20 1.57 -1.65 0.43 116.57 117.81 3kiy h LYS 54 Ca 0.55 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3kiy h LYS 54 Cb 1.08 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3kiy h LYS 54 CO -0.59 0.27 -0.58 0.54 -0.57 0.00 0.00 179.45 178.52 3kiy n ARG 55 N -4.83 0.11 0.22 3.15 1.74 0.27 -2.88 116.66 114.44 3kiy n ARG 55 Ca 0.29 -0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 3kiy n ARG 55 Cb 0.91 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 31.21 3kiy n ARG 55 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3kiy h ASP 56 N 0.17 0.00 0.01 0.55 3.32 0.11 -2.98 116.42 117.61 3kiy h ASP 56 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3kiy h ASP 56 Cb 0.51 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 3kiy h ASP 56 CO 0.00 0.16 -2.41 0.49 -1.72 0.00 0.00 179.24 175.76 3kiy n PHE 57 N -3.22 0.03 -0.29 4.55 3.01 -1.09 -1.89 117.46 118.55 3kiy n PHE 57 Ca 0.02 0.01 0.34 0.00 1.01 0.00 0.00 57.45 58.82 3kiy n PHE 57 Cb 0.48 -1.00 0.72 0.00 -0.01 0.00 0.00 39.48 39.66 3kiy n PHE 57 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kiy h ARG 58 N 0.00 0.00 0.02 -1.08 3.08 -1.51 0.11 114.38 115.00 3kiy h ARG 58 Ca -0.56 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.15 3kiy h ARG 58 Cb 2.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 32.11 3kiy h ARG 58 CO -0.02 0.00 -1.92 -2.13 -1.07 0.00 0.00 179.97 174.83 3kiy n ARG 59 N -3.95 0.62 -0.06 0.04 0.00 -1.13 -3.70 116.66 108.49 3kiy n ARG 59 Ca 0.25 0.37 -0.10 0.00 -0.00 0.00 0.00 57.85 58.37 3kiy n ARG 59 Cb 1.28 -1.64 -0.03 0.00 0.00 0.00 0.00 32.46 32.07 3kiy n ARG 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3kiy h LEU 60 N -0.67 0.28 -0.02 6.15 7.12 -0.50 -2.43 115.31 125.24 3kiy h LEU 60 Ca -0.49 -0.05 0.01 0.00 0.13 0.00 0.00 57.88 57.47 3kiy h LEU 60 Cb 1.61 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.64 3kiy h LEU 60 CO -0.20 0.25 -0.25 -0.50 -0.13 0.00 0.00 178.44 177.61 3kiy h TRP 61 N 0.28 -0.74 -0.99 1.25 6.55 -1.06 -2.60 115.95 118.64 3kiy h TRP 61 Ca 0.08 0.03 0.28 0.00 0.95 0.00 0.00 58.89 60.22 3kiy h TRP 61 Cb 0.03 0.33 -0.18 0.00 -0.86 0.00 0.00 29.16 28.47 3kiy h TRP 61 CO -0.05 -0.27 0.04 0.82 -1.05 0.00 0.00 178.44 177.94 3kiy h ILE 62 N -0.30 0.02 0.44 1.49 2.04 -1.60 -0.41 117.51 119.18 3kiy h ILE 62 Ca 0.01 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3kiy h ILE 62 Cb 0.33 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3kiy h ILE 62 CO -0.18 0.00 -0.24 0.58 0.00 0.00 0.00 178.15 178.31 3kiy h VAL 63 N 0.01 0.51 -0.90 1.67 2.07 -1.05 -1.15 116.25 117.40 3kiy h VAL 63 Ca 0.61 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.24 3kiy h VAL 63 Cb 1.26 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 3kiy h VAL 63 CO -0.92 0.00 0.53 0.03 0.02 0.00 0.00 177.57 177.23 3kiy h ARG 64 N -0.63 0.81 0.01 1.57 3.08 -0.97 0.35 114.38 118.60 3kiy h ARG 64 Ca -0.05 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3kiy h ARG 64 Cb 0.50 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3kiy h ARG 64 CO 0.07 0.53 -0.14 0.82 -1.07 0.00 0.00 179.97 180.19 3kiy h ILE 65 N 0.83 0.65 0.00 2.04 2.04 -0.93 0.16 117.51 122.30 3kiy h ILE 65 Ca 0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.32 3kiy h ILE 65 Cb 0.49 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3kiy h ILE 65 CO -0.28 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.67 3kiy n ASN 66 N -5.27 0.00 -0.17 1.72 4.05 -0.47 0.57 115.26 115.69 3kiy n ASN 66 Ca -0.05 0.89 0.16 0.00 0.45 0.00 0.00 54.58 56.03 3kiy n ASN 66 Cb 0.19 -0.39 0.29 0.00 1.23 0.00 0.00 39.78 41.10 3kiy n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kiy n ALA 67 N -1.69 0.51 -0.01 5.20 0.00 0.11 0.11 120.51 124.75 3kiy n ALA 67 Ca 0.00 0.54 -0.21 0.00 0.00 0.00 0.00 53.44 53.77 3kiy n ALA 67 Cb 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 3kiy n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy h ALA 68 N 1.06 0.20 0.00 0.00 0.00 -0.48 -3.29 119.26 116.74 3kiy h ALA 68 Ca 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3kiy h ALA 68 Cb 1.13 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3kiy h ALA 68 CO -0.42 0.81 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3kiy h ARG 70 N 0.00 0.00 0.00 0.00 2.43 0.10 -2.72 114.38 114.19 3kiy h ARG 70 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kiy h ARG 70 Cb 0.78 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3kiy h ARG 70 CO 0.00 0.62 -0.01 0.37 -1.51 0.00 0.00 179.97 179.44 3kiy h GLN 71 N 0.00 0.00 -0.64 0.20 4.15 -1.54 -1.82 115.11 115.46 3kiy h GLN 71 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3kiy h GLN 71 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3kiy h GLN 71 CO 0.08 0.01 0.00 0.72 -1.93 0.00 0.00 178.83 177.71 3kiy n HIS 72 N -3.47 1.34 0.00 3.99 8.25 -1.03 -4.95 115.22 119.35 3kiy n HIS 72 Ca -0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3kiy n HIS 72 Cb 0.10 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.98 3kiy n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiy n GLY 73 N 1.07 2.41 3.55 -1.41 0.00 -0.68 -5.07 105.19 105.05 3kiy n GLY 73 Ca 0.23 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3kiy n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3kiy s LEU 74 N 0.00 2.85 0.48 0.99 -0.00 -1.24 -5.01 118.68 116.75 3kiy s LEU 74 Ca 0.00 -0.85 0.01 0.00 -0.00 0.00 0.00 54.13 53.29 3kiy s LEU 74 Cb 0.00 -1.38 0.01 0.00 -0.00 0.00 0.00 46.19 44.82 3kiy s LEU 74 CO 0.00 0.03 0.70 0.54 -0.00 0.00 0.00 176.35 177.61 3kiy s ASN 75 N -3.54 5.66 0.04 1.48 2.20 -1.26 -2.61 114.94 116.91 3kiy s ASN 75 Ca 0.30 0.17 -0.10 0.00 -0.94 0.00 0.00 52.86 52.30 3kiy s ASN 75 Cb -0.06 -1.31 -0.03 0.00 -2.00 0.00 0.00 41.25 37.85 3kiy s ASN 75 CO 0.17 -0.83 1.17 0.22 -2.94 0.00 0.00 177.10 174.88 3kiy h TYR 76 N 0.31 -0.53 -0.57 1.54 3.20 -1.91 0.13 116.97 119.15 3kiy h TYR 76 Ca -0.45 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.50 3kiy h TYR 76 Cb 1.27 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.72 3kiy h TYR 76 CO 0.43 -0.14 -0.33 0.43 -1.64 0.00 0.00 178.16 176.91 3kiy n SER 77 N -3.55 -0.59 0.28 -2.11 7.64 -1.26 0.33 113.62 114.37 3kiy n SER 77 Ca -0.01 1.01 -0.16 0.00 1.01 0.00 0.00 58.87 60.72 3kiy n SER 77 Cb 0.10 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 3kiy n SER 77 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3kiy h THR 78 N 0.00 0.50 -0.51 0.44 2.02 -1.84 -2.63 112.91 110.89 3kiy h THR 78 Ca 0.10 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3kiy h THR 78 Cb 0.24 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3kiy h THR 78 CO -0.53 0.02 -0.42 0.15 0.37 0.00 0.00 175.52 175.11 3kiy h PHE 79 N -0.74 -1.31 -0.46 3.16 -0.00 0.27 -0.53 116.94 117.32 3kiy h PHE 79 Ca -0.07 0.08 0.08 0.00 -0.00 0.00 0.00 57.97 58.06 3kiy h PHE 79 Cb 0.55 0.64 -0.07 0.00 -0.00 0.00 0.00 35.95 37.06 3kiy h PHE 79 CO -0.03 -0.31 0.03 0.82 -0.00 0.00 0.00 178.31 178.82 3kiy h ILE 80 N -0.15 0.68 -0.76 1.41 1.08 -0.78 0.63 117.51 119.62 3kiy h ILE 80 Ca 0.08 -0.05 0.19 0.00 -0.39 0.00 0.00 64.86 64.69 3kiy h ILE 80 Cb 0.37 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3kiy h ILE 80 CO -0.55 0.03 0.52 -0.74 -0.69 0.00 0.00 178.15 176.72 3kiy h HIS 81 N 0.15 0.24 0.00 1.37 2.76 -0.97 0.10 115.15 118.80 3kiy h HIS 81 Ca 0.23 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3kiy h HIS 81 Cb 0.33 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3kiy h HIS 81 CO -0.27 0.08 0.00 0.41 -1.30 0.00 0.00 177.93 176.85 3kiy n GLY 82 N -1.60 -3.07 0.31 5.26 0.00 0.22 -1.14 105.19 105.17 3kiy n GLY 82 Ca 0.15 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.45 3kiy n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kiy h LEU 83 N 0.00 0.02 -0.74 0.99 -0.00 -1.20 0.72 115.31 115.10 3kiy h LEU 83 Ca 0.00 0.21 0.17 0.00 -0.00 0.00 0.00 57.88 58.25 3kiy h LEU 83 Cb 0.00 0.28 -0.12 0.00 -0.00 0.00 0.00 40.66 40.82 3kiy h LEU 83 CO 0.00 -0.19 0.09 0.50 -0.00 0.00 0.00 178.44 178.85 3kiy h LYS 84 N 0.19 0.17 0.04 1.13 1.63 -0.71 0.48 116.57 119.51 3kiy h LYS 84 Ca 0.59 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.38 3kiy h LYS 84 Cb 1.23 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3kiy h LYS 84 CO -0.68 0.11 -0.02 0.87 -3.45 0.00 0.00 179.45 176.28 3kiy h LYS 85 N 0.18 -0.05 -0.82 1.90 1.57 0.17 -3.29 116.57 116.22 3kiy h LYS 85 Ca 0.41 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 59.53 3kiy h LYS 85 Cb 0.72 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.89 3kiy h LYS 85 CO -0.58 0.41 0.39 0.00 -0.57 0.00 0.00 179.45 179.10 3kiy n ALA 86 N -2.68 0.80 0.00 3.86 0.00 0.19 -4.72 120.51 117.96 3kiy n ALA 86 Ca -0.05 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3kiy n ALA 86 Cb 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3kiy n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 87 N -1.24 1.38 3.41 0.00 0.00 0.16 -5.04 105.19 103.86 3kiy n GLY 87 Ca 0.30 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.87 3kiy n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kiy s ILE 88 N -2.00 5.31 -0.96 -0.61 1.01 -0.54 -4.80 121.20 118.60 3kiy s ILE 88 Ca 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 60.65 58.02 3kiy s ILE 88 Cb 0.00 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.72 3kiy s ILE 88 CO 0.00 -1.41 0.30 1.21 0.00 0.00 0.00 174.94 175.04 3kiy n GLU 89 N 4.83 0.58 0.00 2.79 2.13 -1.26 -4.60 120.64 125.11 3kiy n GLU 89 Ca 0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3kiy n GLU 89 Cb 0.44 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.86 3kiy n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kiy n VAL 90 N 0.23 0.00 0.00 6.31 0.31 -1.26 -4.74 118.33 119.18 3kiy n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kiy n VAL 90 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3kiy n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kiy n ASP 91 N 0.00 0.00 -2.98 4.52 -0.08 -1.26 -4.57 116.55 112.18 3kiy n ASP 91 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 3kiy n ASP 91 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 3kiy n ASP 91 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3kiy n ARG 92 N 0.00 -2.24 0.00 -0.67 0.63 -1.26 -2.39 116.66 110.73 3kiy n ARG 92 Ca 0.00 1.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.90 3kiy n ARG 92 Cb 0.00 -5.09 0.00 0.00 0.45 0.00 0.00 32.46 27.82 3kiy n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3kiy n LYS 93 N -0.40 0.00 -0.21 -0.14 4.01 -1.26 0.50 118.16 120.66 3kiy n LYS 93 Ca 0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3kiy n LYS 93 Cb 0.50 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.11 3kiy n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3kiy h ASN 94 N 0.00 -0.43 -0.35 4.39 -0.73 -1.93 -0.88 115.58 115.65 3kiy h ASN 94 Ca 0.00 0.17 -0.09 0.00 1.87 0.00 0.00 56.30 58.25 3kiy h ASN 94 Cb 0.00 0.33 -0.05 0.00 0.27 0.00 0.00 38.32 38.87 3kiy h ASN 94 CO 0.00 -0.17 0.11 0.18 -0.37 0.00 0.00 177.43 177.19 3kiy n LEU 95 N -5.36 3.81 -1.39 0.34 4.77 0.18 -3.43 117.00 115.92 3kiy n LEU 95 Ca 0.08 -1.96 0.10 0.00 -0.03 0.00 0.00 56.01 54.20 3kiy n LEU 95 Cb 0.35 -0.62 0.32 0.00 -2.33 0.00 0.00 43.42 41.14 3kiy n LEU 95 CO 0.07 0.55 0.77 0.00 -1.33 0.00 0.00 177.39 177.46 3kiy n ALA 96 N 0.09 2.77 1.01 -1.18 0.00 -0.34 -3.46 120.51 119.41 3kiy n ALA 96 Ca 0.19 -1.34 0.10 0.00 0.00 0.00 0.00 53.44 52.38 3kiy n ALA 96 Cb 0.83 -0.99 0.52 0.00 0.00 0.00 0.00 19.45 19.81 3kiy n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kiy n ASP 97 N 1.23 0.00 0.30 0.00 5.75 -1.22 -2.24 116.55 120.36 3kiy n ASP 97 Ca 0.23 -0.17 0.14 0.00 -0.01 0.00 0.00 54.79 54.99 3kiy n ASP 97 Cb 0.72 -0.21 0.73 0.00 -1.03 0.00 0.00 41.12 41.33 3kiy n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3kiy h LEU 98 N 0.00 0.00 -0.19 -2.12 3.38 -1.74 0.93 115.31 115.56 3kiy h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kiy h LEU 98 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kiy h LEU 98 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3kiy n ALA 99 N -1.83 2.11 -0.03 1.53 0.00 -0.95 -3.39 120.51 117.95 3kiy n ALA 99 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 3kiy n ALA 99 Cb 0.34 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 3kiy n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kiy n VAL 100 N -2.25 0.60 -3.55 0.00 0.31 0.32 -4.66 118.33 109.10 3kiy n VAL 100 Ca 0.05 0.37 -0.37 0.00 -0.01 0.00 0.00 64.34 64.37 3kiy n VAL 100 Cb 0.37 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 3kiy n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kiy s ARG 101 N -1.64 4.03 -0.64 5.55 0.52 -1.06 -4.44 118.95 121.27 3kiy s ARG 101 Ca -0.09 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 3kiy s ARG 101 Cb 0.01 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 3kiy s ARG 101 CO 0.13 0.47 0.55 0.39 0.02 0.00 0.00 175.30 176.86 3kiy n GLU 102 N 2.74 -2.68 0.31 3.54 -0.58 -1.26 -4.31 120.64 118.40 3kiy n GLU 102 Ca -0.13 0.49 0.18 0.00 -0.42 0.00 0.00 57.16 57.27 3kiy n GLU 102 Cb 0.52 -4.22 1.03 0.00 -0.57 0.00 0.00 31.44 28.20 3kiy n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3kiy h PRO 103 N -0.88 0.00 0.04 3.49 0.13 -1.77 -2.00 132.00 131.02 3kiy h PRO 103 Ca -0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3kiy h PRO 103 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kiy h PRO 103 CO 0.27 0.00 -0.02 1.96 -0.23 0.00 0.00 178.00 179.98 3kiy h GLN 104 N 0.00 -0.05 -0.64 0.86 4.20 -1.92 0.09 115.11 117.66 3kiy h GLN 104 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3kiy h GLN 104 Cb 0.01 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 3kiy h GLN 104 CO -0.00 0.14 0.24 0.28 -0.67 0.00 0.00 178.83 178.83 3kiy h VAL 105 N -0.23 0.75 0.32 -0.54 2.07 -1.69 -1.43 116.25 115.49 3kiy h VAL 105 Ca -0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kiy h VAL 105 Cb 0.21 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3kiy h VAL 105 CO 0.01 0.08 -0.15 0.15 0.02 0.00 0.00 177.57 177.67 3kiy h PHE 106 N 0.42 -0.40 -1.02 1.57 3.57 -1.33 -1.95 116.94 117.81 3kiy h PHE 106 Ca 0.33 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.08 3kiy h PHE 106 Cb 0.43 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.21 3kiy h PHE 106 CO -0.17 -0.21 0.66 0.00 -2.23 0.00 0.00 178.31 176.36 3kiy h ALA 107 N 0.19 2.27 0.37 2.41 0.00 -0.40 0.46 119.26 124.56 3kiy h ALA 107 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kiy h ALA 107 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kiy h ALA 107 CO 0.07 -0.65 -0.18 0.93 0.00 0.00 0.00 179.25 179.43 3kiy h GLU 108 N 0.38 -0.47 -0.60 0.00 4.39 -0.77 -2.39 114.58 115.11 3kiy h GLU 108 Ca 0.57 0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.47 3kiy h GLU 108 Cb 1.47 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.21 3kiy h GLU 108 CO -0.25 -0.17 0.50 -0.07 -1.16 0.00 0.00 179.01 177.86 3kiy h LEU 109 N -0.77 0.00 0.18 1.33 3.38 -0.25 0.60 115.31 119.78 3kiy h LEU 109 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3kiy h LEU 109 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kiy h LEU 109 CO 0.08 0.00 -0.09 0.58 0.09 0.00 0.00 178.44 179.10 3kiy h VAL 110 N 0.00 0.00 -0.60 1.22 2.07 -0.70 -2.49 116.25 115.75 3kiy h VAL 110 Ca 0.29 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.83 3kiy h VAL 110 Cb 1.29 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 3kiy h VAL 110 CO -0.00 0.00 -0.46 -0.33 0.02 0.00 0.00 177.57 176.79 3kiy h GLU 111 N -0.30 -0.22 -0.14 1.57 4.39 -0.67 1.14 114.58 120.35 3kiy h GLU 111 Ca -0.03 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3kiy h GLU 111 Cb 0.19 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3kiy h GLU 111 CO 0.04 -0.14 0.50 0.00 -1.16 0.00 0.00 179.01 178.24 3kiy h ARG 112 N -0.23 0.00 0.00 2.33 2.47 -1.01 0.22 114.38 118.17 3kiy h ARG 112 Ca 0.17 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 3kiy h ARG 112 Cb 0.56 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 3kiy h ARG 112 CO -0.71 0.00 -0.42 0.00 0.56 0.00 0.00 179.97 179.40 3kiy h ALA 113 N 1.14 0.05 0.00 0.04 0.00 0.18 -3.17 119.26 117.51 3kiy h ALA 113 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kiy h ALA 113 Cb 1.06 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3kiy h ALA 113 CO -0.00 0.31 0.00 0.36 0.00 0.00 0.00 179.25 179.92 3kiy n LYS 114 N -4.63 0.53 -0.08 0.00 2.85 -0.55 -2.16 118.16 114.12 3kiy n LYS 114 Ca -0.10 0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 57.01 3kiy n LYS 114 Cb 0.30 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.06 3kiy n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kiy h ALA 115 N 3.12 0.11 0.00 0.58 0.00 -0.69 -3.19 119.26 119.19 3kiy h ALA 115 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3kiy h ALA 115 Cb 0.03 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kiy h ALA 115 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3kiy n ALA 116 N -2.96 1.14 -3.64 0.00 0.00 -0.92 -2.76 120.51 111.37 3kiy n ALA 116 Ca -0.19 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 3kiy n ALA 116 Cb 0.56 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 3kiy n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kiy n GLN 117 N -1.42 2.52 0.00 0.00 1.13 -1.16 -4.83 117.38 113.62 3kiy n GLN 117 Ca 0.00 -4.52 0.12 0.00 -1.94 0.00 0.00 57.00 50.67 3kiy n GLN 117 Cb 0.01 -2.36 0.17 0.00 0.11 0.00 0.00 30.24 28.18 3kiy n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03