#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocp n GLU 2 N 0.00 1.56 -1.89 0.03 -0.58 -1.26 -4.91 120.64 113.58 1ocp n GLU 2 Ca 0.00 -3.21 -0.35 0.00 -0.42 0.00 0.00 57.16 53.18 1ocp n GLU 2 Cb 0.00 -1.30 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 1ocp n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1ocp n THR 3 N -0.37 4.36 -3.75 2.62 5.66 -1.26 -4.93 114.28 116.61 1ocp n THR 3 Ca 0.13 -4.09 -0.06 0.00 -3.05 0.00 0.00 64.05 56.99 1ocp n THR 3 Cb 0.91 -1.66 -0.00 0.00 -1.55 0.00 0.00 70.33 68.03 1ocp n THR 3 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ocp n LEU 4 N 0.70 0.00 -3.60 1.09 4.77 -1.26 -5.09 117.00 113.61 1ocp n LEU 4 Ca 0.53 -0.62 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 1ocp n LEU 4 Cb 0.36 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1ocp n LEU 4 CO 0.49 -0.25 -0.07 0.52 -1.33 0.00 0.00 177.39 176.75 1ocp n VAL 5 N -0.62 1.16 -2.13 4.08 0.31 -1.26 -4.94 118.33 114.92 1ocp n VAL 5 Ca -0.02 -4.66 -0.37 0.00 -0.01 0.00 0.00 64.34 59.29 1ocp n VAL 5 Cb 0.13 -2.05 0.03 0.00 -0.91 0.00 0.00 33.84 31.04 1ocp n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocp n GLN 6 N 1.70 3.16 0.15 5.55 10.64 -1.26 -4.72 117.38 132.60 1ocp n GLN 6 Ca 0.25 -3.87 0.05 0.00 -1.83 0.00 0.00 57.00 51.60 1ocp n GLN 6 Cb 0.41 -2.28 0.49 0.00 -0.86 0.00 0.00 30.24 28.00 1ocp n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ocp h ALA 7 N 3.03 1.74 -3.12 2.61 0.00 -1.96 -3.46 119.26 118.11 1ocp h ALA 7 Ca 0.50 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1ocp h ALA 7 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ocp h ALA 7 CO 1.28 0.20 -0.01 0.54 0.00 0.00 0.00 179.25 181.26 1ocp n ARG 8 N -4.41 0.45 -2.56 0.00 1.74 -1.26 -5.08 116.66 105.53 1ocp n ARG 8 Ca -0.01 -1.42 -0.41 0.00 -0.77 0.00 0.00 57.85 55.24 1ocp n ARG 8 Cb 0.16 1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 33.03 1ocp n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1ocp s LYS 9 N -2.32 3.52 -0.39 5.56 2.20 -1.26 -4.83 119.74 122.22 1ocp s LYS 9 Ca 0.14 -0.97 0.07 0.00 -0.36 0.00 0.00 55.97 54.85 1ocp s LYS 9 Cb -0.01 -5.15 0.18 0.00 -1.51 0.00 0.00 37.83 31.35 1ocp s LYS 9 CO 0.10 -2.19 0.63 0.50 -0.36 0.00 0.00 175.35 174.03 1ocp s ARG 10 N 5.09 0.77 -0.23 4.03 3.52 -1.26 -5.13 118.95 125.74 1ocp s ARG 10 Ca 0.44 -0.13 -0.16 0.00 -0.13 0.00 0.00 55.73 55.75 1ocp s ARG 10 Cb -0.01 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1ocp s ARG 10 CO -0.06 -1.15 0.43 0.15 -0.81 0.00 0.00 175.30 173.86 1ocp s LYS 11 N 2.01 4.11 -0.36 5.12 -0.14 -1.26 -5.01 119.74 124.21 1ocp s LYS 11 Ca 0.15 0.21 0.05 0.00 -1.36 0.00 0.00 55.97 55.01 1ocp s LYS 11 Cb -0.05 -3.59 0.17 0.00 -1.68 0.00 0.00 37.83 32.68 1ocp s LYS 11 CO -0.10 -0.17 0.48 -0.98 -0.76 0.00 0.00 175.35 173.81 1ocp s ARG 12 N 1.74 0.64 -0.06 1.68 1.70 -1.26 -4.86 118.95 118.53 1ocp s ARG 12 Ca 0.19 -0.33 -0.02 0.00 -0.47 0.00 0.00 55.73 55.10 1ocp s ARG 12 Cb -0.15 -0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 33.93 1ocp s ARG 12 CO 0.09 -1.15 0.10 1.15 -1.08 0.00 0.00 175.30 174.42 1ocp h THR 13 N 5.38 0.00 0.00 4.99 2.02 -2.01 -3.45 112.91 119.83 1ocp h THR 13 Ca 0.01 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1ocp h THR 13 Cb 1.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1ocp h THR 13 CO 0.18 0.00 -0.13 -1.20 0.37 0.00 0.00 175.52 174.74 1ocp n SER 14 N -3.87 0.00 -2.85 4.18 7.64 -1.26 -4.99 113.62 112.47 1ocp n SER 14 Ca -0.01 -1.27 -0.11 0.00 1.01 0.00 0.00 58.87 58.49 1ocp n SER 14 Cb 0.03 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1ocp n SER 14 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ocp n ILE 15 N 0.00 -0.16 -1.70 0.44 2.08 -1.26 -4.63 119.36 114.12 1ocp n ILE 15 Ca 0.00 -2.01 -0.34 0.00 0.56 0.00 0.00 62.75 60.96 1ocp n ILE 15 Cb 0.55 0.71 0.06 0.00 -0.75 0.00 0.00 39.64 40.21 1ocp n ILE 15 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ocp s GLU 16 N 0.32 2.64 0.65 0.38 2.56 -1.26 -4.86 118.70 119.13 1ocp s GLU 16 Ca 0.32 1.54 0.41 0.00 0.00 0.00 0.00 54.97 57.25 1ocp s GLU 16 Cb 0.20 -1.92 2.31 0.00 2.00 0.00 0.00 34.13 36.72 1ocp s GLU 16 CO -0.21 -1.40 2.35 -0.97 -0.56 0.00 0.00 175.26 174.47 1ocp h ASN 17 N 0.05 0.00 0.85 -1.70 -0.00 -2.01 0.32 115.58 113.09 1ocp h ASN 17 Ca -0.47 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 55.59 1ocp h ASN 17 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.56 1ocp h ASN 17 CO 0.53 0.00 -1.15 -0.09 -0.00 0.00 0.00 177.43 176.72 1ocp h ARG 18 N 0.00 0.06 -0.31 6.67 1.12 -1.99 -3.22 114.38 116.72 1ocp h ARG 18 Ca -0.00 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1ocp h ARG 18 Cb 0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1ocp h ARG 18 CO 0.00 0.99 0.14 -0.24 -3.11 0.00 0.00 179.97 177.75 1ocp h VAL 19 N 0.02 1.16 0.06 0.20 3.04 -1.27 0.15 116.25 119.62 1ocp h VAL 19 Ca -0.07 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1ocp h VAL 19 Cb 1.84 0.91 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1ocp h VAL 19 CO 0.14 0.17 -0.05 0.03 -1.01 0.00 0.00 177.57 176.85 1ocp h ARG 20 N 0.36 -0.11 0.00 4.17 2.47 -1.61 0.48 114.38 120.14 1ocp h ARG 20 Ca 0.10 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1ocp h ARG 20 Cb 0.14 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1ocp h ARG 20 CO -0.01 -0.07 0.00 0.91 0.56 0.00 0.00 179.97 181.35 1ocp n TRP 21 N -5.15 0.56 -0.02 3.04 5.03 -1.17 -0.90 117.44 118.83 1ocp n TRP 21 Ca -0.07 0.21 -0.10 0.00 3.03 0.00 0.00 57.50 60.57 1ocp n TRP 21 Cb 0.08 -0.85 0.04 0.00 -1.03 0.00 0.00 31.31 29.56 1ocp n TRP 21 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 1ocp h SER 22 N 0.00 0.69 -0.55 -0.99 0.87 0.14 -2.20 113.55 111.51 1ocp h SER 22 Ca 0.00 -0.36 0.08 0.00 -1.23 0.00 0.00 61.79 60.28 1ocp h SER 22 Cb 0.35 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 1ocp h SER 22 CO 0.00 1.09 0.21 -0.07 -0.53 0.00 0.00 176.83 177.53 1ocp h LEU 23 N 0.49 0.23 -0.93 2.23 3.38 0.51 0.69 115.31 121.91 1ocp h LEU 23 Ca 0.02 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1ocp h LEU 23 Cb 1.07 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1ocp h LEU 23 CO 0.10 0.15 0.54 -0.08 0.09 0.00 0.00 178.44 179.25 1ocp h GLU 24 N 0.40 0.77 -0.42 1.13 4.81 -1.21 -0.10 114.58 119.96 1ocp h GLU 24 Ca 0.27 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1ocp h GLU 24 Cb 0.29 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1ocp h GLU 24 CO -0.26 0.51 0.02 1.15 -0.73 0.00 0.00 179.01 179.71 1ocp h THR 25 N 0.79 1.22 -0.04 0.32 2.02 -0.43 0.07 112.91 116.85 1ocp h THR 25 Ca 0.50 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.67 1ocp h THR 25 Cb 0.63 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1ocp h THR 25 CO -0.33 0.30 -0.68 0.24 0.37 0.00 0.00 175.52 175.42 1ocp h MET 26 N 0.63 0.17 0.00 6.66 2.86 -0.46 -3.16 114.93 121.63 1ocp h MET 26 Ca 0.13 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ocp h MET 26 Cb 0.36 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1ocp h MET 26 CO 0.01 0.79 -0.62 1.19 1.06 0.00 0.00 176.91 179.33 1ocp n PHE 27 N -3.79 0.13 1.36 -0.22 3.72 -0.71 -3.87 117.46 114.09 1ocp n PHE 27 Ca -0.02 0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1ocp n PHE 27 Cb 0.67 -0.33 0.45 0.00 -0.94 0.00 0.00 39.48 39.32 1ocp n PHE 27 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1ocp n LEU 28 N -1.67 1.72 -0.12 4.37 4.77 -0.02 -4.05 117.00 122.01 1ocp n LEU 28 Ca 0.05 -0.61 -0.19 0.00 -0.03 0.00 0.00 56.01 55.22 1ocp n LEU 28 Cb 0.37 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1ocp n LEU 28 CO 0.36 0.31 -1.31 2.29 -1.33 0.00 0.00 177.39 177.71 1ocp n LYS 29 N 0.35 0.66 -3.70 3.23 2.85 -1.24 -4.94 118.16 115.37 1ocp n LYS 29 Ca 0.18 0.16 -0.17 0.00 -1.05 0.00 0.00 58.31 57.43 1ocp n LYS 29 Cb 0.38 -1.53 -0.16 0.00 -0.65 0.00 0.00 35.03 33.06 1ocp n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ocp n PRO 31 N 4.96 1.78 -2.38 0.00 -0.04 -1.26 -4.35 135.00 133.70 1ocp n PRO 31 Ca -0.11 -1.15 -0.25 0.00 -0.04 0.00 0.00 63.50 61.94 1ocp n PRO 31 Cb 0.50 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1ocp n PRO 31 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ocp n LYS 32 N -0.01 3.37 -2.44 0.54 2.85 -1.26 -5.07 118.16 116.14 1ocp n LYS 32 Ca 0.19 -4.38 -0.33 0.00 -1.05 0.00 0.00 58.31 52.74 1ocp n LYS 32 Cb 0.85 -2.21 -0.03 0.00 -0.65 0.00 0.00 35.03 32.98 1ocp n LYS 32 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ocp s PRO 33 N -3.54 3.77 0.24 -1.58 0.04 -1.26 -5.04 135.00 127.64 1ocp s PRO 33 Ca 0.48 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 1ocp s PRO 33 Cb 0.40 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 1ocp s PRO 33 CO -0.13 -0.43 0.65 -1.12 0.04 0.00 0.00 177.00 176.01 1ocp s SER 34 N -2.39 6.81 0.58 6.66 0.01 -1.26 -4.93 113.70 119.18 1ocp s SER 34 Ca 0.64 1.19 0.28 0.00 1.31 0.00 0.00 55.95 59.36 1ocp s SER 34 Cb -0.14 -2.33 1.66 0.00 0.21 0.00 0.00 66.02 65.42 1ocp s SER 34 CO 0.25 -0.06 2.15 -0.07 0.41 0.00 0.00 173.24 175.92 1ocp h LEU 35 N 2.86 0.00 -0.24 2.44 4.07 -1.99 0.26 115.31 122.70 1ocp h LEU 35 Ca -0.48 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.31 1ocp h LEU 35 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1ocp h LEU 35 CO 0.66 0.00 -0.51 -0.61 -1.08 0.00 0.00 178.44 176.91 1ocp h GLN 36 N 0.00 0.77 0.00 1.13 -0.00 -2.00 -2.53 115.11 112.47 1ocp h GLN 36 Ca 0.06 -0.50 -0.04 0.00 -0.00 0.00 0.00 58.65 58.17 1ocp h GLN 36 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1ocp h GLN 36 CO -0.00 1.13 -0.17 0.37 0.00 0.00 0.00 178.83 180.16 1ocp h GLN 37 N 0.50 0.00 -0.12 1.69 4.15 -0.91 -0.77 115.11 119.65 1ocp h GLN 37 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 1ocp h GLN 37 Cb 1.12 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1ocp h GLN 37 CO 0.11 0.17 -0.52 0.82 -1.93 0.00 0.00 178.83 177.48 1ocp h ILE 38 N 0.00 1.34 -0.31 2.39 1.08 -0.91 0.04 117.51 121.14 1ocp h ILE 38 Ca -0.00 -1.78 -0.06 0.00 -0.39 0.00 0.00 64.86 62.62 1ocp h ILE 38 Cb 0.33 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 1ocp h ILE 38 CO 0.02 0.54 -0.08 0.74 -0.69 0.00 0.00 178.15 178.68 1ocp h THR 39 N 0.26 1.22 0.00 -0.27 2.02 -0.76 -0.21 112.91 115.17 1ocp h THR 39 Ca 0.01 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1ocp h THR 39 Cb 1.01 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1ocp h THR 39 CO 0.09 0.31 -0.35 -0.74 0.37 0.00 0.00 175.52 175.20 1ocp h HIS 40 N 0.48 0.00 -0.13 3.16 -0.00 -0.52 -2.73 115.15 115.42 1ocp h HIS 40 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1ocp h HIS 40 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1ocp h HIS 40 CO 0.01 0.35 0.01 0.82 -0.00 0.00 0.00 177.93 179.13 1ocp h ILE 41 N 0.00 1.24 0.02 6.26 5.03 0.79 0.13 117.51 130.97 1ocp h ILE 41 Ca -0.00 -0.76 0.03 0.00 -0.12 0.00 0.00 64.86 64.00 1ocp h ILE 41 Cb 0.82 1.50 -0.05 0.00 -3.03 0.00 0.00 36.82 36.05 1ocp h ILE 41 CO 0.05 0.22 -0.42 0.00 -0.68 0.00 0.00 178.15 177.32 1ocp h ALA 42 N 0.77 -0.68 0.00 1.87 0.00 -1.10 0.53 119.26 120.66 1ocp h ALA 42 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ocp h ALA 42 Cb 0.33 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ocp h ALA 42 CO 0.00 -0.96 -0.01 -0.91 0.00 0.00 0.00 179.25 177.38 1ocp h ASN 43 N -0.58 0.00 1.85 0.00 4.21 -1.49 0.23 115.58 119.80 1ocp h ASN 43 Ca 0.04 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1ocp h ASN 43 Cb 0.65 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1ocp h ASN 43 CO -0.30 0.01 -0.15 1.56 -1.29 0.00 0.00 177.43 177.26 1ocp h GLN 44 N 0.00 0.00 0.00 0.81 1.08 0.20 -3.37 115.11 113.83 1ocp h GLN 44 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ocp h GLN 44 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1ocp h GLN 44 CO 0.00 0.04 -0.42 1.47 -0.95 0.00 0.00 178.83 178.97 1ocp n LEU 45 N -3.07 0.04 -1.59 1.46 -0.00 0.24 -4.99 117.00 109.09 1ocp n LEU 45 Ca 0.03 -0.88 -0.19 0.00 -0.00 0.00 0.00 56.01 54.97 1ocp n LEU 45 Cb 0.55 -0.01 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 1ocp n LEU 45 CO 0.35 0.22 -0.19 0.61 -0.00 0.00 0.00 177.39 178.38 1ocp n GLY 46 N -0.02 1.49 3.65 1.47 0.00 0.75 -4.74 105.19 107.79 1ocp n GLY 46 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1ocp n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ocp s LEU 47 N -4.56 3.73 1.31 0.99 1.02 -1.01 -5.02 118.68 115.14 1ocp s LEU 47 Ca 0.00 0.11 -0.21 0.00 0.02 0.00 0.00 54.13 54.05 1ocp s LEU 47 Cb 0.00 -1.91 0.33 0.00 0.02 0.00 0.00 46.19 44.63 1ocp s LEU 47 CO 0.00 0.26 1.05 -1.83 0.02 0.00 0.00 176.35 175.84 1ocp s GLU 48 N -0.13 -2.06 0.15 1.70 -1.05 -1.26 -4.05 118.70 112.00 1ocp s GLU 48 Ca 0.06 -0.07 0.26 0.00 -0.15 0.00 0.00 54.97 55.07 1ocp s GLU 48 Cb -0.12 -1.50 0.83 0.00 -0.44 0.00 0.00 34.13 32.90 1ocp s GLU 48 CO 0.02 -4.26 1.75 1.17 0.95 0.00 0.00 175.26 174.88 1ocp n LYS 49 N -5.15 0.21 0.01 -4.83 0.00 -1.26 -2.41 118.16 104.72 1ocp n LYS 49 Ca 0.14 0.15 -0.18 0.00 0.00 0.00 0.00 58.31 58.43 1ocp n LYS 49 Cb 0.60 -1.72 -0.12 0.00 0.00 0.00 0.00 35.03 33.78 1ocp n LYS 49 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1ocp h ASP 50 N 0.00 0.41 -0.30 3.14 3.58 -1.99 -1.94 116.42 119.32 1ocp h ASP 50 Ca 0.00 -0.84 -0.16 0.00 0.42 0.00 0.00 57.03 56.45 1ocp h ASP 50 Cb 0.69 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1ocp h ASP 50 CO 0.00 1.21 -0.40 1.62 -2.88 0.00 0.00 179.24 178.79 1ocp h VAL 51 N -0.33 1.28 -0.18 2.25 3.04 -1.92 -2.24 116.25 118.15 1ocp h VAL 51 Ca -0.08 -1.58 -0.07 0.00 -1.01 0.00 0.00 66.70 63.97 1ocp h VAL 51 Cb 1.33 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1ocp h VAL 51 CO 0.11 0.52 -0.18 1.62 -1.01 0.00 0.00 177.57 178.63 1ocp h VAL 52 N 0.70 1.22 0.00 1.51 3.04 -1.54 -2.11 116.25 119.06 1ocp h VAL 52 Ca 0.05 -0.98 -0.14 0.00 -1.01 0.00 0.00 66.70 64.63 1ocp h VAL 52 Cb 0.98 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 1ocp h VAL 52 CO 0.09 0.30 -0.67 -0.09 -1.01 0.00 0.00 177.57 176.20 1ocp h ARG 53 N 0.28 0.00 -0.11 4.17 1.12 -1.13 -2.62 114.38 116.09 1ocp h ARG 53 Ca 0.05 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 1ocp h ARG 53 Cb 0.48 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1ocp h ARG 53 CO 0.03 0.67 -0.06 0.28 -3.11 0.00 0.00 179.97 177.78 1ocp h VAL 54 N 0.00 1.33 -0.45 0.20 2.07 -0.78 0.16 116.25 118.77 1ocp h VAL 54 Ca -0.01 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1ocp h VAL 54 Cb 1.28 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1ocp h VAL 54 CO 0.09 0.32 0.05 -0.25 0.02 0.00 0.00 177.57 177.80 1ocp h TRP 55 N -0.14 0.74 0.00 1.57 7.01 -1.48 -1.77 115.95 121.88 1ocp h TRP 55 Ca 0.02 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1ocp h TRP 55 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1ocp h TRP 55 CO 0.07 0.66 -0.02 0.34 -2.79 0.00 0.00 178.44 176.70 1ocp n PHE 56 N -4.26 0.31 -0.03 2.65 7.35 -0.99 -1.55 117.46 120.94 1ocp n PHE 56 Ca 0.03 0.09 -0.10 0.00 -0.76 0.00 0.00 57.45 56.70 1ocp n PHE 56 Cb 0.25 -0.64 0.04 0.00 0.35 0.00 0.00 39.48 39.48 1ocp n PHE 56 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ocp h ASN 58 N 0.53 0.00 1.21 0.00 4.21 -1.44 -2.84 115.58 117.25 1ocp h ASN 58 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1ocp h ASN 58 Cb 1.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1ocp h ASN 58 CO 0.10 0.89 0.00 -0.09 -1.29 0.00 0.00 177.43 177.04 1ocp h ARG 59 N 0.00 0.00 0.07 0.81 1.12 -1.01 -2.71 114.38 112.66 1ocp h ARG 59 Ca -0.06 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.48 1ocp h ARG 59 Cb 1.73 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.66 1ocp h ARG 59 CO 0.11 0.00 -1.86 0.54 -3.11 0.00 0.00 179.97 175.65 1ocp n ARG 60 N -2.53 0.70 -2.85 0.20 1.74 0.13 -4.34 116.66 109.71 1ocp n ARG 60 Ca 0.03 0.28 -0.31 0.00 -0.77 0.00 0.00 57.85 57.08 1ocp n ARG 60 Cb 0.35 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 1ocp n ARG 60 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ocp n GLN 61 N -3.29 3.89 0.18 5.56 6.02 -1.08 -4.75 117.38 123.91 1ocp n GLN 61 Ca -0.25 -4.80 0.07 0.00 -0.01 0.00 0.00 57.00 52.01 1ocp n GLN 61 Cb 1.05 -2.31 0.14 0.00 1.02 0.00 0.00 30.24 30.14 1ocp n GLN 61 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1ocp h LYS 62 N 3.33 0.00 0.00 -1.09 5.09 -1.68 -3.41 116.57 118.81 1ocp h LYS 62 Ca 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.95 1ocp h LYS 62 Cb 0.45 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.74 1ocp h LYS 62 CO 0.93 0.30 -0.00 0.41 -2.09 0.00 0.00 179.45 178.99 1ocp n GLY 63 N 1.02 -0.54 2.20 0.07 0.00 -1.26 -5.00 105.19 101.69 1ocp n GLY 63 Ca 0.02 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ocp n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocp n LYS 64 N -0.30 2.49 0.00 1.61 5.02 -1.26 -4.36 118.16 121.35 1ocp n LYS 64 Ca -0.07 -3.20 0.00 0.00 -2.02 0.00 0.00 58.31 53.02 1ocp n LYS 64 Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1ocp n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ocp n ARG 65 N -1.02 0.00 -2.54 1.97 1.74 -1.26 -4.96 116.66 110.60 1ocp n ARG 65 Ca 0.59 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 1ocp n ARG 65 Cb 1.13 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 31.84 1ocp n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ocp s SER 66 N -3.70 6.32 0.00 0.55 0.15 -1.26 -5.28 113.70 110.48 1ocp s SER 66 Ca 0.00 -1.03 0.25 0.00 0.70 0.00 0.00 55.95 55.87 1ocp s SER 66 Cb 0.00 -2.57 0.39 0.00 -1.71 0.00 0.00 66.02 62.13 1ocp s SER 66 CO 0.00 -1.68 1.37 -1.54 1.20 0.00 0.00 173.24 172.60