#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d s ARG 3 N 0.00 2.82 -0.56 -0.52 3.52 -1.26 -5.02 118.95 117.94 3d5d s ARG 3 Ca 0.00 1.37 0.04 0.00 -0.13 0.00 0.00 55.73 57.01 3d5d s ARG 3 Cb 0.00 -1.96 0.17 0.00 -1.56 0.00 0.00 34.95 31.60 3d5d s ARG 3 CO 0.00 -1.23 0.41 0.00 -0.81 0.00 0.00 175.30 173.68 3d5d s ALA 4 N -2.37 2.59 0.22 6.12 0.00 -1.26 -5.11 121.76 121.95 3d5d s ALA 4 Ca 0.66 -3.13 -0.28 0.00 0.00 0.00 0.00 51.96 49.22 3d5d s ALA 4 Cb -0.20 -1.88 -0.17 0.00 0.00 0.00 0.00 23.12 20.87 3d5d s ALA 4 CO 0.42 -2.04 0.50 1.63 0.00 0.00 0.00 175.76 176.28 3d5d n LYS 5 N 2.43 0.04 0.23 0.00 4.76 -1.26 -4.75 118.16 119.62 3d5d n LYS 5 Ca 0.24 0.01 0.18 0.00 -2.87 0.00 0.00 58.31 55.88 3d5d n LYS 5 Cb 0.41 -1.03 0.85 0.00 -1.84 0.00 0.00 35.03 33.42 3d5d n LYS 5 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3d5d h THR 6 N 0.98 0.25 0.00 -0.18 2.02 -2.06 -3.44 112.91 110.49 3d5d h THR 6 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3d5d h THR 6 Cb 1.44 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3d5d h THR 6 CO 0.56 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.06 3d5d n GLY 7 N -1.33 1.25 0.00 2.16 0.00 -1.26 -3.31 105.19 102.69 3d5d n GLY 7 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3d5d n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5d n VAL 8 N 0.00 0.00 -0.09 1.61 0.31 -1.26 -4.87 118.33 114.03 3d5d n VAL 8 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3d5d n VAL 8 Cb 0.00 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 3d5d n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3d5d n VAL 9 N -1.83 -0.14 -0.03 2.52 0.31 -1.21 -2.12 118.33 115.84 3d5d n VAL 9 Ca 0.00 1.37 -0.08 0.00 -0.01 0.00 0.00 64.34 65.62 3d5d n VAL 9 Cb 0.43 -1.78 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 3d5d n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3d5d h ARG 10 N 0.00 -0.26 -0.91 5.55 2.43 -1.90 -0.34 114.38 118.95 3d5d h ARG 10 Ca 0.03 0.02 0.26 0.00 -0.81 0.00 0.00 59.98 59.48 3d5d h ARG 10 Cb 0.09 0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 29.54 3d5d h ARG 10 CO -0.20 -0.17 0.24 -0.09 -1.51 0.00 0.00 179.97 178.24 3d5d h ARG 11 N -0.27 0.16 -0.13 0.20 2.43 -1.82 0.16 114.38 115.10 3d5d h ARG 11 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3d5d h ARG 11 Cb 0.34 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3d5d h ARG 11 CO -0.25 0.10 0.03 0.00 -1.51 0.00 0.00 179.97 178.34 3d5d h ARG 12 N 0.16 0.22 -0.88 0.20 3.08 -0.76 0.20 114.38 116.61 3d5d h ARG 12 Ca 0.59 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.70 3d5d h ARG 12 Cb 1.25 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.21 3d5d h ARG 12 CO -0.71 0.39 0.57 0.87 -1.07 0.00 0.00 179.97 180.02 3d5d h LYS 13 N 0.01 0.77 0.06 0.04 1.57 0.86 0.42 116.57 120.29 3d5d h LYS 13 Ca 0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3d5d h LYS 13 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3d5d h LYS 13 CO 0.00 0.51 -0.03 0.45 -0.57 0.00 0.00 179.45 179.81 3d5d h HIS 14 N 0.79 -0.07 -0.93 -1.35 3.86 -0.42 -2.81 115.15 114.21 3d5d h HIS 14 Ca 0.42 -0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.90 3d5d h HIS 14 Cb 0.54 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 3d5d h HIS 14 CO -0.00 -0.04 0.71 1.57 0.86 0.00 0.00 177.93 181.02 3d5d h LYS 15 N -0.12 0.00 0.34 2.45 2.10 -0.91 0.50 116.57 120.94 3d5d h LYS 15 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3d5d h LYS 15 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3d5d h LYS 15 CO 0.01 0.00 -0.19 -0.22 -2.00 0.00 0.00 179.45 177.05 3d5d h LYS 16 N 0.00 -0.48 -0.59 0.07 3.64 -0.93 -2.64 116.57 115.65 3d5d h LYS 16 Ca 0.44 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.82 3d5d h LYS 16 Cb 1.86 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.76 3d5d h LYS 16 CO -0.00 -0.32 0.24 0.82 -2.27 0.00 0.00 179.45 177.92 3d5d h ILE 17 N -0.50 1.21 -0.87 2.00 2.04 -0.90 -2.79 117.51 117.71 3d5d h ILE 17 Ca -0.05 -0.64 0.19 0.00 1.00 0.00 0.00 64.86 65.36 3d5d h ILE 17 Cb 0.39 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3d5d h ILE 17 CO 0.06 0.26 0.57 0.25 0.00 0.00 0.00 178.15 179.29 3d5d h LEU 18 N 0.84 0.41 0.12 1.44 6.46 -0.01 -1.11 115.31 123.45 3d5d h LEU 18 Ca 0.20 0.04 -0.28 0.00 -0.12 0.00 0.00 57.88 57.72 3d5d h LEU 18 Cb 0.15 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3d5d h LEU 18 CO -0.02 0.18 -1.31 0.11 -0.62 0.00 0.00 178.44 176.78 3d5d h LYS 19 N 0.42 0.24 -0.07 1.25 1.57 -1.19 -2.84 116.57 115.94 3d5d h LYS 19 Ca 0.44 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3d5d h LYS 19 Cb 1.08 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 3d5d h LYS 19 CO -0.16 1.16 0.17 -0.07 -0.57 0.00 0.00 179.45 179.98 3d5d h LEU 20 N 0.07 0.00 -1.09 2.94 -0.00 -1.16 -0.48 115.31 115.59 3d5d h LEU 20 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 3d5d h LEU 20 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 3d5d h LEU 20 CO 0.19 0.00 -0.19 0.00 -0.00 0.00 0.00 178.44 178.44 3d5d n ALA 21 N -2.14 2.85 -1.68 1.53 0.00 -1.10 -4.99 120.51 114.98 3d5d n ALA 21 Ca -0.01 -0.54 -0.49 0.00 0.00 0.00 0.00 53.44 52.40 3d5d n ALA 21 Cb 0.25 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 3d5d n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3d5d n LYS 22 N 0.17 2.05 0.00 0.00 4.76 -0.19 -2.75 118.16 122.20 3d5d n LYS 22 Ca 0.07 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3d5d n LYS 22 Cb 0.32 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 3d5d n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d5d n GLY 23 N 4.22 1.31 0.00 0.72 0.00 -1.26 -5.06 105.19 105.13 3d5d n GLY 23 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3d5d n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d5d n TYR 24 N 0.00 0.00 -3.78 1.61 0.53 -1.11 -5.05 117.16 109.36 3d5d n TYR 24 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.67 3d5d n TYR 24 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.28 3d5d n TYR 24 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 3d5d s TRP 25 N 0.00 3.08 0.00 -0.72 -0.11 -1.26 -4.84 118.94 115.09 3d5d s TRP 25 Ca 0.00 -0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.11 3d5d s TRP 25 Cb 0.00 -1.76 0.00 0.00 -1.50 0.00 0.00 33.47 30.21 3d5d s TRP 25 CO 0.00 0.22 0.00 0.41 -4.62 0.00 0.00 176.95 172.96 3d5d n GLY 26 N -1.43 0.00 0.28 5.86 0.00 -1.26 0.02 105.19 108.66 3d5d n GLY 26 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.17 3d5d n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d5d h LEU 27 N 0.00 0.00 0.00 0.99 3.38 -1.98 -2.86 115.31 114.83 3d5d h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d5d h LEU 27 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3d5d h LEU 27 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 3d5d n ARG 28 N -3.01 0.02 -1.66 1.13 0.63 0.10 -2.13 116.66 111.74 3d5d n ARG 28 Ca -0.00 0.38 0.01 0.00 -0.92 0.00 0.00 57.85 57.31 3d5d n ARG 28 Cb 0.25 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.67 3d5d n ARG 28 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3d5d n SER 29 N -1.42 0.48 0.00 6.15 3.41 -0.23 -3.35 113.62 118.65 3d5d n SER 29 Ca 0.01 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3d5d n SER 29 Cb 0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3d5d n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d5d n LYS 30 N 0.09 0.00 -2.12 4.33 4.76 -1.00 -4.71 118.16 119.52 3d5d n LYS 30 Ca -0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 3d5d n LYS 30 Cb 0.98 -0.16 -0.03 0.00 -1.84 0.00 0.00 35.03 33.98 3d5d n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3d5d s SER 31 N -4.27 6.77 0.21 4.39 1.04 -0.90 -4.88 113.70 116.06 3d5d s SER 31 Ca 0.00 2.33 -0.20 0.00 0.48 0.00 0.00 55.95 58.57 3d5d s SER 31 Cb 0.00 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.72 3d5d s SER 31 CO 0.00 -0.72 1.56 0.15 0.98 0.00 0.00 173.24 175.21 3d5d h PHE 32 N 7.27 -1.13 0.08 5.02 3.57 -1.96 -2.95 116.94 126.83 3d5d h PHE 32 Ca -0.41 0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.05 3d5d h PHE 32 Cb 1.20 0.62 0.01 0.00 2.79 0.00 0.00 35.95 40.57 3d5d h PHE 32 CO 0.70 -0.40 -0.65 0.07 -2.23 0.00 0.00 178.31 175.79 3d5d h ARG 33 N -0.05 0.16 -1.03 1.11 0.11 -1.92 -3.12 114.38 109.64 3d5d h ARG 33 Ca 0.30 -0.28 0.26 0.00 0.10 0.00 0.00 59.98 60.36 3d5d h ARG 33 Cb 0.57 0.10 -0.10 0.00 1.11 0.00 0.00 29.97 31.65 3d5d h ARG 33 CO -0.90 1.13 0.65 0.87 0.10 0.00 0.00 179.97 181.82 3d5d h LYS 34 N -0.63 0.44 -0.31 0.08 1.79 -1.80 0.23 116.57 116.37 3d5d h LYS 34 Ca -0.13 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.34 3d5d h LYS 34 Cb 1.41 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.93 3d5d h LYS 34 CO 0.06 0.29 0.13 0.00 -1.08 0.00 0.00 179.45 178.85 3d5d h ALA 35 N 1.66 0.37 -0.13 3.86 0.00 -1.46 -0.76 119.26 122.79 3d5d h ALA 35 Ca 0.61 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.59 3d5d h ALA 35 Cb 1.42 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3d5d h ALA 35 CO -0.36 -0.26 -0.48 -0.09 0.00 0.00 0.00 179.25 178.06 3d5d h ARG 36 N 0.28 -0.52 -0.67 0.00 2.43 -0.52 0.45 114.38 115.82 3d5d h ARG 36 Ca 0.14 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.49 3d5d h ARG 36 Cb 0.08 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 29.64 3d5d h ARG 36 CO -0.12 -0.35 0.05 0.93 -1.51 0.00 0.00 179.97 178.97 3d5d h GLU 37 N -0.54 0.15 -0.29 0.20 5.08 -1.00 0.68 114.58 118.84 3d5d h GLU 37 Ca 0.06 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3d5d h GLU 37 Cb 0.66 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 3d5d h GLU 37 CO -0.42 0.10 0.05 1.15 -1.00 0.00 0.00 179.01 178.89 3d5d h THR 38 N 0.15 0.84 -0.76 1.13 2.02 0.44 -2.03 112.91 114.71 3d5d h THR 38 Ca 0.36 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 3d5d h THR 38 Cb 0.61 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3d5d h THR 38 CO -0.55 0.03 0.40 -0.07 0.37 0.00 0.00 175.52 175.70 3d5d h LEU 39 N 0.15 0.97 -0.28 2.58 3.38 0.28 -1.08 115.31 121.32 3d5d h LEU 39 Ca 0.14 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3d5d h LEU 39 Cb 0.15 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3d5d h LEU 39 CO -0.19 0.81 -0.38 -0.26 0.09 0.00 0.00 178.44 178.51 3d5d h PHE 40 N 1.06 -1.07 0.67 1.13 0.05 0.91 0.44 116.94 120.14 3d5d h PHE 40 Ca 0.27 0.05 -0.03 0.00 3.82 0.00 0.00 57.97 62.08 3d5d h PHE 40 Cb 0.07 0.51 0.01 0.00 2.00 0.00 0.00 35.95 38.54 3d5d h PHE 40 CO 0.00 -0.43 -0.32 0.00 -0.18 0.00 0.00 178.31 177.38 3d5d h ALA 41 N 0.43 -0.90 -0.73 2.45 0.00 -1.23 -2.97 119.26 116.31 3d5d h ALA 41 Ca 0.12 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3d5d h ALA 41 Cb 0.58 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 3d5d h ALA 41 CO -0.47 -0.96 0.04 0.00 0.00 0.00 0.00 179.25 177.86 3d5d h ALA 42 N -0.73 0.80 -0.79 0.00 0.00 -0.87 0.30 119.26 117.96 3d5d h ALA 42 Ca -0.09 0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.20 3d5d h ALA 42 Cb 0.72 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3d5d h ALA 42 CO 0.15 -0.41 0.29 0.78 0.00 0.00 0.00 179.25 180.07 3d5d h GLY 43 N 0.14 1.22 1.00 0.00 0.00 -0.03 0.71 103.07 106.10 3d5d h GLY 43 Ca 0.40 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.45 3d5d h GLY 43 CO -0.61 -0.17 -0.50 3.43 0.00 0.00 0.00 176.54 178.69 3d5d h ASN 44 N 0.39 0.77 -0.71 0.19 2.35 -0.40 -3.18 115.58 114.99 3d5d h ASN 44 Ca 0.45 -0.58 0.15 0.00 -0.55 0.00 0.00 56.30 55.78 3d5d h ASN 44 Cb 0.76 -0.22 -0.11 0.00 0.05 0.00 0.00 38.32 38.80 3d5d h ASN 44 CO -0.47 1.21 0.14 1.88 -1.65 0.00 0.00 177.43 178.54 3d5d h TYR 45 N 0.37 0.20 -0.33 1.19 0.99 0.11 -0.29 116.97 119.21 3d5d h TYR 45 Ca -0.01 0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.83 3d5d h TYR 45 Cb 1.12 0.02 -0.06 0.00 1.00 0.00 0.00 36.73 38.82 3d5d h TYR 45 CO 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 178.16 178.13 3d5d h ALA 46 N 1.60 0.28 -0.57 3.88 0.00 -0.95 0.33 119.26 123.84 3d5d h ALA 46 Ca 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 3d5d h ALA 46 Cb 0.67 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3d5d h ALA 46 CO -0.52 -0.42 0.31 -0.92 0.00 0.00 0.00 179.25 177.71 3d5d h TYR 47 N 0.07 0.78 -0.12 0.00 3.20 -1.07 0.14 116.97 119.98 3d5d h TYR 47 Ca 0.16 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3d5d h TYR 47 Cb 0.23 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3d5d h TYR 47 CO -0.25 0.57 -0.27 0.00 -1.64 0.00 0.00 178.16 176.56 3d5d h ALA 48 N 1.14 0.19 0.00 1.82 0.00 -1.09 -3.01 119.26 118.31 3d5d h ALA 48 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3d5d h ALA 48 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3d5d h ALA 48 CO -0.03 0.20 0.00 0.45 0.00 0.00 0.00 179.25 179.87 3d5d h HIS 49 N -0.02 0.00 0.10 0.00 3.86 -0.13 0.17 115.15 119.12 3d5d h HIS 49 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3d5d h HIS 49 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3d5d h HIS 49 CO 0.11 0.00 -0.05 -0.09 0.86 0.00 0.00 177.93 178.76 3d5d h ARG 50 N 0.00 -0.13 0.00 2.45 2.43 -0.59 0.21 114.38 118.75 3d5d h ARG 50 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3d5d h ARG 50 Cb 0.18 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3d5d h ARG 50 CO 0.00 0.37 -0.03 0.87 -1.51 0.00 0.00 179.97 179.67 3d5d h LYS 51 N -0.75 0.00 -0.16 0.20 1.79 -1.39 -2.00 116.57 114.26 3d5d h LYS 51 Ca -0.01 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 3d5d h LYS 51 Cb 0.56 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3d5d h LYS 51 CO 0.02 0.03 -0.65 0.00 -1.08 0.00 0.00 179.45 177.77 3d5d h ARG 52 N 0.00 0.73 -0.86 3.15 2.47 -0.78 -3.14 114.38 115.95 3d5d h ARG 52 Ca -0.00 -0.57 0.18 0.00 -1.26 0.00 0.00 59.98 58.34 3d5d h ARG 52 Cb 0.39 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 3d5d h ARG 52 CO 0.00 1.18 0.57 -0.09 0.56 0.00 0.00 179.97 182.19 3d5d h ARG 53 N 0.44 0.41 0.52 0.04 2.43 0.21 0.36 114.38 118.78 3d5d h ARG 53 Ca -0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3d5d h ARG 53 Cb 1.28 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3d5d h ARG 53 CO 0.14 0.27 -0.25 0.87 -1.51 0.00 0.00 179.97 179.48 3d5d h LYS 54 N 0.42 -0.67 -1.01 0.20 6.56 -1.55 -3.11 116.57 117.40 3d5d h LYS 54 Ca 0.44 0.05 0.29 0.00 -1.06 0.00 0.00 60.65 60.36 3d5d h LYS 54 Cb 1.06 0.15 -0.13 0.00 -0.57 0.00 0.00 32.23 32.74 3d5d h LYS 54 CO -0.16 -0.45 0.60 0.00 -2.06 0.00 0.00 179.45 177.38 3d5d h ARG 55 N -0.91 0.42 0.00 3.15 3.08 -1.18 -1.55 114.38 117.39 3d5d h ARG 55 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3d5d h ARG 55 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3d5d h ARG 55 CO 0.12 0.28 0.00 -0.25 -1.07 0.00 0.00 179.97 179.05 3d5d n ASP 56 N -4.94 0.00 0.05 7.04 8.00 0.11 -2.70 116.55 124.11 3d5d n ASP 56 Ca 0.29 0.92 0.07 0.00 0.71 0.00 0.00 54.79 56.79 3d5d n ASP 56 Cb 0.89 -0.42 0.50 0.00 -0.02 0.00 0.00 41.12 42.06 3d5d n ASP 56 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3d5d h PHE 57 N 0.00 0.36 -0.04 1.24 -1.00 -1.34 -0.11 116.94 116.04 3d5d h PHE 57 Ca 0.00 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3d5d h PHE 57 Cb 0.00 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3d5d h PHE 57 CO -0.29 0.21 -0.12 0.00 -1.61 0.00 0.00 178.31 176.50 3d5d h ARG 58 N 0.37 -0.11 -0.04 1.51 3.08 -1.09 0.24 114.38 118.34 3d5d h ARG 58 Ca 0.14 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3d5d h ARG 58 Cb 0.11 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3d5d h ARG 58 CO -0.03 -0.08 0.02 0.00 -1.07 0.00 0.00 179.97 178.81 3d5d h ARG 59 N -0.12 0.06 -0.98 0.04 3.08 -1.38 -2.69 114.38 112.39 3d5d h ARG 59 Ca 0.01 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.23 3d5d h ARG 59 Cb 0.14 -0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.01 3d5d h ARG 59 CO -0.10 0.20 -0.30 -0.11 -1.07 0.00 0.00 179.97 178.58 3d5d n LEU 60 N -4.98 -0.47 0.24 3.04 0.00 -0.07 0.60 117.00 115.37 3d5d n LEU 60 Ca -0.07 1.70 -0.16 0.00 0.00 0.00 0.00 56.01 57.48 3d5d n LEU 60 Cb 0.10 -0.46 -0.08 0.00 0.00 0.00 0.00 43.42 42.98 3d5d n LEU 60 CO 0.34 -1.59 0.73 -0.50 0.00 0.00 0.00 177.39 176.36 3d5d h TRP 61 N 0.00 -0.52 -1.04 1.96 6.55 -0.46 -2.67 115.95 119.77 3d5d h TRP 61 Ca 0.42 -0.01 0.28 0.00 0.95 0.00 0.00 58.89 60.52 3d5d h TRP 61 Cb 0.66 0.17 -0.07 0.00 -0.86 0.00 0.00 29.16 29.06 3d5d h TRP 61 CO -0.80 -0.32 0.70 0.82 -1.05 0.00 0.00 178.44 177.80 3d5d h ILE 62 N -0.58 0.52 0.24 1.49 1.08 0.50 0.32 117.51 121.09 3d5d h ILE 62 Ca -0.06 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3d5d h ILE 62 Cb 0.44 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3d5d h ILE 62 CO 0.09 0.04 -0.12 0.58 -0.69 0.00 0.00 178.15 178.06 3d5d h VAL 63 N 0.24 0.77 0.24 1.67 2.07 -0.22 0.73 116.25 121.75 3d5d h VAL 63 Ca 0.55 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 68.04 3d5d h VAL 63 Cb 1.68 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3d5d h VAL 63 CO -0.17 0.01 -0.32 0.03 0.02 0.00 0.00 177.57 177.14 3d5d h ARG 64 N -0.34 -0.59 0.17 1.57 2.47 -0.37 -2.07 114.38 115.21 3d5d h ARG 64 Ca -0.03 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3d5d h ARG 64 Cb 0.26 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 3d5d h ARG 64 CO 0.05 -0.40 -0.28 0.82 0.56 0.00 0.00 179.97 180.73 3d5d h ILE 65 N -0.62 0.40 -0.17 2.04 2.04 -0.69 0.19 117.51 120.70 3d5d h ILE 65 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3d5d h ILE 65 Cb 0.59 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 3d5d h ILE 65 CO -0.11 0.00 -0.43 -1.13 0.00 0.00 0.00 178.15 176.48 3d5d h ASN 66 N -0.52 -1.36 0.31 1.72 -1.24 0.50 0.19 115.58 115.17 3d5d h ASN 66 Ca 0.02 0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 3d5d h ASN 66 Cb 0.53 0.56 -0.00 0.00 0.73 0.00 0.00 38.32 40.13 3d5d h ASN 66 CO -0.13 -0.42 -0.05 0.00 -1.29 0.00 0.00 177.43 175.54 3d5d h ALA 67 N 0.13 1.19 0.10 1.57 0.00 -1.18 -0.71 119.26 120.36 3d5d h ALA 67 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d5d h ALA 67 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3d5d h ALA 67 CO -0.43 0.06 -0.05 0.00 0.00 0.00 0.00 179.25 178.84 3d5d h ALA 68 N 1.95 -0.57 0.00 0.00 0.00 0.24 -2.74 119.26 118.14 3d5d h ALA 68 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3d5d h ALA 68 Cb 0.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3d5d h ALA 68 CO 0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 179.25 178.62 3d5d h ARG 70 N 0.00 0.19 0.00 0.00 2.43 -1.15 0.10 114.38 115.94 3d5d h ARG 70 Ca -0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3d5d h ARG 70 Cb 0.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3d5d h ARG 70 CO 0.01 0.15 -0.39 0.37 -1.51 0.00 0.00 179.97 178.60 3d5d h GLN 71 N 0.19 0.00 0.00 0.20 4.15 -0.72 -1.04 115.11 117.89 3d5d h GLN 71 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3d5d h GLN 71 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3d5d h GLN 71 CO -0.01 0.39 -0.22 0.72 -1.93 0.00 0.00 178.83 177.79 3d5d n HIS 72 N -3.86 0.05 -0.53 3.99 8.25 0.17 -4.97 115.22 118.32 3d5d n HIS 72 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3d5d n HIS 72 Cb 0.45 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3d5d n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5d n GLY 73 N 1.49 0.38 3.59 -1.41 0.00 -0.16 -5.11 105.19 103.98 3d5d n GLY 73 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.57 3d5d n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3d5d s LEU 74 N -0.63 -0.00 0.63 0.99 2.34 -1.19 -4.97 118.68 115.85 3d5d s LEU 74 Ca 0.00 -0.00 -0.13 0.00 0.06 0.00 0.00 54.13 54.06 3d5d s LEU 74 Cb 0.00 1.01 -0.03 0.00 -0.56 0.00 0.00 46.19 46.61 3d5d s LEU 74 CO 0.00 -0.00 1.04 0.20 -1.06 0.00 0.00 176.35 176.53 3d5d s ASN 75 N -2.57 5.83 0.13 1.48 0.01 -1.26 -3.48 114.94 115.09 3d5d s ASN 75 Ca 0.14 1.62 -0.14 0.00 -0.71 0.00 0.00 52.86 53.77 3d5d s ASN 75 Cb 0.04 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 3d5d s ASN 75 CO -0.05 -1.14 1.59 0.22 -1.51 0.00 0.00 177.10 176.22 3d5d h TYR 76 N -0.10 0.80 -0.96 2.20 3.20 -1.94 0.51 116.97 120.69 3d5d h TYR 76 Ca -0.45 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.30 3d5d h TYR 76 Cb 1.20 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 3d5d h TYR 76 CO 0.62 0.79 0.64 0.66 -1.64 0.00 0.00 178.16 179.23 3d5d h SER 77 N 0.59 1.09 0.28 -2.11 4.64 -2.00 -0.05 113.55 115.99 3d5d h SER 77 Ca 0.12 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3d5d h SER 77 Cb 0.45 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3d5d h SER 77 CO 0.02 0.78 -0.14 0.74 -0.87 0.00 0.00 176.83 177.36 3d5d h THR 78 N 1.28 0.75 -0.12 2.95 2.02 -1.86 -2.65 112.91 115.29 3d5d h THR 78 Ca 0.36 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.05 3d5d h THR 78 Cb -0.12 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3d5d h THR 78 CO -0.08 0.10 -0.12 0.15 0.37 0.00 0.00 175.52 175.94 3d5d h PHE 79 N -0.65 -0.38 -0.33 3.16 3.04 0.53 -2.58 116.94 119.73 3d5d h PHE 79 Ca -0.04 0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.99 3d5d h PHE 79 Cb 0.46 0.18 -0.05 0.00 2.56 0.00 0.00 35.95 39.10 3d5d h PHE 79 CO 0.01 -0.10 -0.00 0.82 -2.02 0.00 0.00 178.31 177.02 3d5d h ILE 80 N -0.07 0.76 -0.78 1.41 5.03 -1.12 -2.06 117.51 120.68 3d5d h ILE 80 Ca 0.02 -0.03 0.18 0.00 -0.12 0.00 0.00 64.86 64.91 3d5d h ILE 80 Cb 0.12 0.66 -0.12 0.00 -3.03 0.00 0.00 36.82 34.45 3d5d h ILE 80 CO -0.15 0.02 0.15 -0.74 -0.68 0.00 0.00 178.15 176.75 3d5d h HIS 81 N 0.09 0.21 -0.77 1.37 -0.00 -1.28 0.34 115.15 115.10 3d5d h HIS 81 Ca 0.16 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.60 3d5d h HIS 81 Cb 0.21 0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.61 3d5d h HIS 81 CO -0.24 -0.16 0.50 0.78 -0.00 0.00 0.00 177.93 178.81 3d5d h GLY 82 N 0.21 1.11 0.70 5.26 0.00 -0.98 0.86 103.07 110.23 3d5d h GLY 82 Ca 0.45 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3d5d h GLY 82 CO -0.59 0.34 -0.24 1.41 0.00 0.00 0.00 176.54 177.45 3d5d h LEU 83 N 0.98 -0.58 -2.19 3.11 4.07 -0.38 0.31 115.31 120.63 3d5d h LEU 83 Ca 0.30 -0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.26 3d5d h LEU 83 Cb -0.02 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 3d5d h LEU 83 CO -0.10 -0.22 0.25 0.50 -1.08 0.00 0.00 178.44 177.80 3d5d h LYS 84 N -0.99 0.00 0.09 1.13 1.63 -0.38 0.12 116.57 118.16 3d5d h LYS 84 Ca -0.07 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.41 3d5d h LYS 84 Cb 0.61 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 3d5d h LYS 84 CO 0.11 0.00 -1.70 -0.22 -3.45 0.00 0.00 179.45 174.20 3d5d h LYS 85 N 0.00 0.20 0.00 1.90 3.11 -0.68 -3.24 116.57 117.86 3d5d h LYS 85 Ca 0.10 -0.34 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 3d5d h LYS 85 Cb 0.61 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 3d5d h LYS 85 CO -0.00 1.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.64 3d5d n ALA 86 N -2.73 2.19 -3.09 5.00 0.00 0.11 -4.90 120.51 117.09 3d5d n ALA 86 Ca -0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 3d5d n ALA 86 Cb 1.05 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 19.20 3d5d n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5d n GLY 87 N 0.35 -1.13 2.62 0.00 0.00 -0.17 -5.03 105.19 101.84 3d5d n GLY 87 Ca 0.13 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.43 3d5d n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d5d s ILE 88 N -3.21 -0.12 -0.01 -0.61 -4.36 -1.09 -4.94 121.20 106.85 3d5d s ILE 88 Ca 0.25 -1.28 0.30 0.00 -0.26 0.00 0.00 60.65 59.65 3d5d s ILE 88 Cb -0.03 -0.89 0.31 0.00 1.25 0.00 0.00 42.46 43.10 3d5d s ILE 88 CO 0.71 -0.77 1.90 -0.08 0.24 0.00 0.00 174.94 176.94 3d5d h GLU 89 N 7.13 0.00 0.00 0.37 4.81 -1.96 -3.38 114.58 121.55 3d5d h GLU 89 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3d5d h GLU 89 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3d5d h GLU 89 CO 0.24 0.00 0.00 1.55 -0.73 0.00 0.00 179.01 180.07 3d5d n VAL 90 N -2.58 0.00 -1.25 0.32 3.14 -1.26 -2.20 118.33 114.50 3d5d n VAL 90 Ca -0.01 0.37 -0.37 0.00 -2.96 0.00 0.00 64.34 61.37 3d5d n VAL 90 Cb 0.13 -0.55 -0.08 0.00 -1.06 0.00 0.00 33.84 32.29 3d5d n VAL 90 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3d5d n ASP 91 N -0.79 2.17 -4.66 6.55 4.64 -1.26 -4.88 116.55 118.32 3d5d n ASP 91 Ca 0.00 -2.62 -0.46 0.00 -1.38 0.00 0.00 54.79 50.33 3d5d n ASP 91 Cb 0.00 -1.17 -0.03 0.00 -1.04 0.00 0.00 41.12 38.87 3d5d n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3d5d n ARG 92 N 7.64 1.99 -0.24 -0.67 -4.01 -0.93 -4.73 116.66 115.70 3d5d n ARG 92 Ca 0.47 0.71 0.05 0.00 -1.04 0.00 0.00 57.85 58.04 3d5d n ARG 92 Cb 0.43 -2.40 0.11 0.00 -3.04 0.00 0.00 32.46 27.57 3d5d n ARG 92 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3d5d n LYS 93 N 2.46 -0.06 -0.04 2.89 5.02 -1.26 0.37 118.16 127.54 3d5d n LYS 93 Ca 0.14 1.02 -0.15 0.00 -2.02 0.00 0.00 58.31 57.30 3d5d n LYS 93 Cb 0.30 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 3d5d n LYS 93 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3d5d h ASN 94 N 0.00 -1.75 0.00 4.39 -0.73 -1.93 -1.61 115.58 113.94 3d5d h ASN 94 Ca 0.33 0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.72 3d5d h ASN 94 Cb 0.55 0.69 0.00 0.00 0.27 0.00 0.00 38.32 39.83 3d5d h ASN 94 CO -0.67 -0.46 0.00 0.18 -0.37 0.00 0.00 177.43 176.11 3d5d n LEU 95 N -5.39 0.32 0.00 0.34 4.77 0.16 -2.74 117.00 114.46 3d5d n LEU 95 Ca -0.05 -0.16 0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3d5d n LEU 95 Cb 0.37 -0.16 0.82 0.00 -2.33 0.00 0.00 43.42 42.12 3d5d n LEU 95 CO 0.06 0.08 1.02 0.00 -1.33 0.00 0.00 177.39 177.23 3d5d n ALA 96 N -0.22 2.53 0.00 -1.18 0.00 -0.61 -3.64 120.51 117.40 3d5d n ALA 96 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3d5d n ALA 96 Cb 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3d5d n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3d5d n ASP 97 N -1.09 0.00 0.17 0.00 5.75 -1.11 -2.67 116.55 117.61 3d5d n ASP 97 Ca 0.19 0.25 0.17 0.00 -0.01 0.00 0.00 54.79 55.40 3d5d n ASP 97 Cb 0.14 -0.25 0.65 0.00 -1.03 0.00 0.00 41.12 40.63 3d5d n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3d5d h LEU 98 N 0.00 0.00 -2.52 -2.12 3.38 -1.75 0.60 115.31 112.90 3d5d h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d5d h LEU 98 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3d5d h LEU 98 CO 0.00 0.00 0.11 0.00 0.09 0.00 0.00 178.44 178.64 3d5d h ALA 99 N 1.15 1.11 0.00 1.53 0.00 -1.81 -2.37 119.26 118.87 3d5d h ALA 99 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 3d5d h ALA 99 Cb 1.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3d5d h ALA 99 CO -0.00 -0.11 -2.23 0.28 0.00 0.00 0.00 179.25 177.19 3d5d n VAL 100 N -2.93 1.23 -3.63 0.00 0.31 0.21 -4.64 118.33 108.88 3d5d n VAL 100 Ca -0.03 -0.40 -0.38 0.00 -0.01 0.00 0.00 64.34 63.52 3d5d n VAL 100 Cb 0.17 -1.48 -0.11 0.00 -0.91 0.00 0.00 33.84 31.50 3d5d n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3d5d s ARG 101 N -2.42 3.64 -0.99 5.55 0.52 -0.90 -4.55 118.95 119.80 3d5d s ARG 101 Ca -0.30 -0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 54.33 3d5d s ARG 101 Cb 0.09 -3.59 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 3d5d s ARG 101 CO 0.45 -0.29 0.85 0.39 0.02 0.00 0.00 175.30 176.72 3d5d n GLU 102 N 5.02 -1.90 -0.04 3.54 -0.58 -1.25 -4.31 120.64 121.12 3d5d n GLU 102 Ca -0.14 0.95 0.21 0.00 -0.42 0.00 0.00 57.16 57.76 3d5d n GLU 102 Cb 0.51 -5.53 0.68 0.00 -0.57 0.00 0.00 31.44 26.53 3d5d n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3d5d h PRO 103 N -0.83 0.04 -0.65 3.49 0.13 -1.77 -0.86 132.00 131.54 3d5d h PRO 103 Ca -0.49 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3d5d h PRO 103 Cb 1.25 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 3d5d h PRO 103 CO 0.41 0.02 0.41 1.96 -0.23 0.00 0.00 178.00 180.58 3d5d h GLN 104 N 0.04 0.80 -0.34 0.86 7.50 -1.89 0.13 115.11 122.21 3d5d h GLN 104 Ca 0.29 -0.05 0.06 0.00 0.50 0.00 0.00 58.65 59.45 3d5d h GLN 104 Cb 1.09 -0.18 -0.05 0.00 0.05 0.00 0.00 27.48 28.39 3d5d h GLN 104 CO -0.01 0.53 0.01 0.28 -1.50 0.00 0.00 178.83 178.14 3d5d h VAL 105 N 0.82 0.77 -0.83 -0.54 2.07 -1.49 -0.91 116.25 116.14 3d5d h VAL 105 Ca 0.26 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.79 3d5d h VAL 105 Cb -0.01 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3d5d h VAL 105 CO -0.09 0.02 0.52 0.15 0.02 0.00 0.00 177.57 178.19 3d5d h PHE 106 N 0.11 0.97 0.24 1.57 3.57 -1.30 -1.72 116.94 120.38 3d5d h PHE 106 Ca 0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3d5d h PHE 106 Cb 0.21 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3d5d h PHE 106 CO -0.23 0.52 -0.40 0.00 -2.23 0.00 0.00 178.31 175.97 3d5d h ALA 107 N 1.37 -0.78 -0.96 2.41 0.00 0.48 0.86 119.26 122.64 3d5d h ALA 107 Ca 0.35 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3d5d h ALA 107 Cb 0.09 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3d5d h ALA 107 CO -0.14 -0.99 0.62 0.93 0.00 0.00 0.00 179.25 179.67 3d5d h GLU 108 N -0.71 1.04 -0.87 0.00 5.08 -0.91 0.50 114.58 118.71 3d5d h GLU 108 Ca -0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3d5d h GLU 108 Cb 0.69 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3d5d h GLU 108 CO -0.16 0.69 0.56 -0.07 -1.00 0.00 0.00 179.01 179.03 3d5d h LEU 109 N 1.07 0.93 -0.13 1.33 3.38 -0.80 0.60 115.31 121.70 3d5d h LEU 109 Ca 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3d5d h LEU 109 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3d5d h LEU 109 CO -0.18 0.64 0.05 0.58 0.09 0.00 0.00 178.44 179.62 3d5d h VAL 110 N 1.09 1.15 -0.24 1.22 2.07 0.20 -0.94 116.25 120.79 3d5d h VAL 110 Ca 0.35 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3d5d h VAL 110 Cb 0.01 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3d5d h VAL 110 CO -0.12 0.13 -0.06 -0.33 0.02 0.00 0.00 177.57 177.22 3d5d h GLU 111 N 0.06 -0.00 -0.99 1.57 4.39 0.52 0.21 114.58 120.33 3d5d h GLU 111 Ca 0.04 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.89 3d5d h GLU 111 Cb 0.16 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.72 3d5d h GLU 111 CO -0.00 -0.00 0.62 0.00 -1.16 0.00 0.00 179.01 178.47 3d5d h ARG 112 N -0.00 0.85 -0.34 2.33 2.47 0.35 -0.16 114.38 119.88 3d5d h ARG 112 Ca 0.12 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 3d5d h ARG 112 Cb 0.18 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 3d5d h ARG 112 CO -0.25 0.56 -0.30 0.00 0.56 0.00 0.00 179.97 180.54 3d5d h ALA 113 N 1.59 0.83 0.29 0.04 0.00 0.36 0.17 119.26 122.54 3d5d h ALA 113 Ca 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d5d h ALA 113 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3d5d h ALA 113 CO -0.30 0.64 -0.28 0.87 0.00 0.00 0.00 179.25 180.17 3d5d h LYS 114 N 0.61 -0.59 0.00 0.00 1.79 0.12 -2.60 116.57 115.90 3d5d h LYS 114 Ca 0.07 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3d5d h LYS 114 Cb 0.82 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3d5d h LYS 114 CO 0.07 -0.39 0.00 0.00 -1.08 0.00 0.00 179.45 178.05 3d5d h ALA 115 N -0.02 1.00 0.62 3.86 0.00 -1.32 -3.23 119.26 120.18 3d5d h ALA 115 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3d5d h ALA 115 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3d5d h ALA 115 CO -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.81 3d5d h ALA 116 N 2.16 -0.98 0.15 0.00 0.00 -0.26 -3.12 119.26 117.21 3d5d h ALA 116 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d5d h ALA 116 Cb 0.75 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3d5d h ALA 116 CO 0.00 -1.07 -0.13 0.37 0.00 0.00 0.00 179.25 178.43 3d5d h GLN 117 N -0.96 -0.28 0.00 0.00 -0.00 -1.57 -3.46 115.11 108.83 3d5d h GLN 117 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3d5d h GLN 117 Cb 0.78 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.32 3d5d h GLN 117 CO 0.08 -0.19 0.00 0.41 0.00 0.00 0.00 178.83 179.13