#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 5.18 -3.58 2.12 -0.58 -1.26 -4.99 120.64 117.54 1ocp n GLU 2 Ca 0.00 -4.64 -0.37 0.00 -0.42 0.00 0.00 57.16 51.73 1ocp n GLU 2 Cb 0.00 -2.48 -0.08 0.00 -0.57 0.00 0.00 31.44 28.31 1ocp n GLU 2 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1ocp s THR 3 N -3.91 5.32 0.52 2.62 -4.23 -1.26 -5.08 115.64 109.62 1ocp s THR 3 Ca 0.37 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 1ocp s THR 3 Cb 0.15 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1ocp s THR 3 CO -0.06 0.35 0.17 0.18 -0.54 0.00 0.00 174.62 174.72 1ocp n LEU 4 N 4.00 0.00 0.00 4.79 4.77 -1.26 -5.08 117.00 124.22 1ocp n LEU 4 Ca -0.13 -3.03 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1ocp n LEU 4 Cb 0.52 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1ocp n LEU 4 CO 0.38 -0.51 -0.13 0.52 -1.33 0.00 0.00 177.39 176.32 1ocp n VAL 5 N -1.48 0.00 -3.70 4.08 0.31 -1.26 -5.01 118.33 111.27 1ocp n VAL 5 Ca -0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.82 1ocp n VAL 5 Cb 0.63 -0.51 -0.11 0.00 -0.91 0.00 0.00 33.84 32.94 1ocp n VAL 5 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ocp s GLN 6 N -1.71 2.35 0.79 5.55 2.00 -1.26 -5.09 119.66 122.29 1ocp s GLN 6 Ca 0.00 -1.60 -0.13 0.00 -2.00 0.00 0.00 55.36 51.63 1ocp s GLN 6 Cb 0.00 -3.64 0.20 0.00 0.80 0.00 0.00 33.01 30.37 1ocp s GLN 6 CO 0.00 -0.98 0.60 0.00 -0.50 0.00 0.00 175.29 174.41 1ocp n ALA 7 N 4.76 -2.49 -0.10 1.58 0.00 -1.26 -5.00 120.51 118.00 1ocp n ALA 7 Ca -0.07 -0.95 -0.24 0.00 0.00 0.00 0.00 53.44 52.18 1ocp n ALA 7 Cb 0.42 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 1ocp n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ocp n ARG 8 N -3.82 0.62 0.16 0.00 3.00 -1.26 -5.00 116.66 110.36 1ocp n ARG 8 Ca 0.09 0.39 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 1ocp n ARG 8 Cb 0.35 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.17 1ocp n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ocp n LYS 9 N -4.08 0.00 0.20 -0.14 5.02 -1.26 -5.08 118.16 112.81 1ocp n LYS 9 Ca -0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1ocp n LYS 9 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.85 1ocp n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ocp n ARG 10 N -3.15 0.00 -3.56 1.97 0.00 -1.26 -5.15 116.66 105.51 1ocp n ARG 10 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 1ocp n ARG 10 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1ocp n ARG 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ocp s LYS 11 N -2.00 0.98 -0.32 -0.14 2.20 -1.26 -5.07 119.74 114.12 1ocp s LYS 11 Ca 0.00 0.43 0.12 0.00 -0.36 0.00 0.00 55.97 56.17 1ocp s LYS 11 Cb 0.00 0.46 0.39 0.00 -1.51 0.00 0.00 37.83 37.17 1ocp s LYS 11 CO 0.00 -0.26 1.51 2.89 -0.36 0.00 0.00 175.35 179.13 1ocp n ARG 12 N 1.41 1.30 0.09 4.03 1.85 -1.26 -4.68 116.66 119.40 1ocp n ARG 12 Ca -0.18 -1.19 -0.14 0.00 -1.00 0.00 0.00 57.85 55.35 1ocp n ARG 12 Cb 0.56 0.43 -0.08 0.00 -1.05 0.00 0.00 32.46 32.32 1ocp n ARG 12 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1ocp h THR 13 N 3.98 1.45 0.00 8.89 2.02 -2.01 -3.41 112.91 123.83 1ocp h THR 13 Ca -0.45 -2.74 -0.12 0.00 0.77 0.00 0.00 66.41 63.87 1ocp h THR 13 Cb 1.30 2.67 -0.13 0.00 -1.74 0.00 0.00 68.15 70.25 1ocp h THR 13 CO -0.19 0.81 -0.30 -0.24 0.37 0.00 0.00 175.52 175.97 1ocp n SER 14 N -3.64 -0.76 -2.93 4.18 2.88 -1.26 -5.02 113.62 107.07 1ocp n SER 14 Ca -0.07 -1.88 -0.10 0.00 -1.33 0.00 0.00 58.87 55.48 1ocp n SER 14 Cb 0.92 0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 64.59 1ocp n SER 14 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ocp n ILE 15 N 0.03 -0.32 -1.83 2.46 2.08 -1.26 -4.48 119.36 116.04 1ocp n ILE 15 Ca -0.22 -1.69 -0.37 0.00 0.56 0.00 0.00 62.75 61.03 1ocp n ILE 15 Cb 0.70 0.30 0.06 0.00 -0.75 0.00 0.00 39.64 39.95 1ocp n ILE 15 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ocp s GLU 16 N 0.62 2.69 0.62 0.38 2.02 -1.26 -4.51 118.70 119.25 1ocp s GLU 16 Ca 0.31 1.97 0.35 0.00 0.02 0.00 0.00 54.97 57.62 1ocp s GLU 16 Cb 0.03 -1.87 2.04 0.00 0.10 0.00 0.00 34.13 34.42 1ocp s GLU 16 CO -0.10 -1.47 2.30 -0.91 0.02 0.00 0.00 175.26 175.10 1ocp h ASN 17 N 0.64 0.00 0.83 -0.19 2.35 -1.99 0.18 115.58 117.40 1ocp h ASN 17 Ca -0.51 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.01 1ocp h ASN 17 Cb 1.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 1ocp h ASN 17 CO 0.54 0.00 -1.26 0.03 -1.65 0.00 0.00 177.43 175.09 1ocp h ARG 18 N 0.00 0.00 -0.19 0.81 -0.00 -1.98 -3.17 114.38 109.84 1ocp h ARG 18 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 1ocp h ARG 18 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 1ocp h ARG 18 CO -0.00 0.71 0.01 -0.24 0.00 0.00 0.00 179.97 180.44 1ocp h VAL 19 N 0.00 1.25 0.15 2.04 3.04 -1.31 0.17 116.25 121.59 1ocp h VAL 19 Ca -0.13 -0.84 -0.01 0.00 -1.01 0.00 0.00 66.70 64.72 1ocp h VAL 19 Cb 1.81 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1ocp h VAL 19 CO 0.10 0.26 -0.07 0.03 -1.01 0.00 0.00 177.57 176.87 1ocp h ARG 20 N 0.10 -0.20 0.00 4.17 3.08 -1.56 -0.42 114.38 119.56 1ocp h ARG 20 Ca 0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ocp h ARG 20 Cb 0.37 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1ocp h ARG 20 CO 0.01 -0.09 0.00 0.91 -1.07 0.00 0.00 179.97 179.72 1ocp n TRP 21 N -5.16 0.29 -0.04 3.04 5.03 -1.20 -0.97 117.44 118.43 1ocp n TRP 21 Ca -0.09 0.11 -0.15 0.00 3.03 0.00 0.00 57.50 60.41 1ocp n TRP 21 Cb 0.12 -0.68 -0.03 0.00 -1.03 0.00 0.00 31.31 29.69 1ocp n TRP 21 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 1ocp h SER 22 N 0.00 0.88 -0.75 -0.99 0.02 0.90 -2.27 113.55 111.34 1ocp h SER 22 Ca 0.00 -0.51 0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1ocp h SER 22 Cb 0.31 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 1ocp h SER 22 CO 0.00 1.30 0.39 -0.07 -1.14 0.00 0.00 176.83 177.30 1ocp h LEU 23 N 0.56 0.51 0.08 5.07 3.38 0.23 -1.61 115.31 123.52 1ocp h LEU 23 Ca -0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ocp h LEU 23 Cb 1.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1ocp h LEU 23 CO 0.13 0.28 -0.21 -0.08 0.09 0.00 0.00 178.44 178.66 1ocp h GLU 24 N 0.64 -0.36 -0.37 1.13 4.81 -1.21 -0.92 114.58 118.31 1ocp h GLU 24 Ca 0.37 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.73 1ocp h GLU 24 Cb 0.40 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ocp h GLU 24 CO -0.28 -0.24 0.33 1.15 -0.73 0.00 0.00 179.01 179.25 1ocp h THR 25 N -0.37 0.55 0.00 0.32 2.02 -0.75 -0.86 112.91 113.82 1ocp h THR 25 Ca 0.04 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.05 1ocp h THR 25 Cb 0.41 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1ocp h THR 25 CO -0.14 0.00 -1.29 0.24 0.37 0.00 0.00 175.52 174.70 1ocp h MET 26 N 0.00 0.00 0.00 6.66 2.86 -0.80 -3.36 114.93 120.29 1ocp h MET 26 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1ocp h MET 26 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1ocp h MET 26 CO -0.00 0.34 -0.70 1.19 1.06 0.00 0.00 176.91 178.80 1ocp n PHE 27 N -2.95 0.16 0.22 -0.22 3.72 -0.44 -3.36 117.46 114.58 1ocp n PHE 27 Ca -0.08 0.05 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1ocp n PHE 27 Cb 0.83 -0.34 0.27 0.00 -0.94 0.00 0.00 39.48 39.31 1ocp n PHE 27 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1ocp h LEU 28 N 0.00 0.00 0.00 4.37 3.38 -1.40 -3.23 115.31 118.42 1ocp h LEU 28 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1ocp h LEU 28 Cb 0.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1ocp h LEU 28 CO 0.00 0.10 -2.31 1.17 0.09 0.00 0.00 178.44 177.49 1ocp n LYS 29 N -3.15 0.68 -3.72 1.13 4.81 -1.25 -4.74 118.16 111.92 1ocp n LYS 29 Ca 0.03 -0.01 -0.36 0.00 -0.87 0.00 0.00 58.31 57.10 1ocp n LYS 29 Cb 0.51 -1.54 -0.09 0.00 0.02 0.00 0.00 35.03 33.93 1ocp n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ocp n PRO 31 N 3.19 1.24 -2.43 0.00 -0.04 -1.26 -3.90 135.00 131.81 1ocp n PRO 31 Ca 0.11 -0.36 -0.26 0.00 -0.04 0.00 0.00 63.50 62.94 1ocp n PRO 31 Cb 0.37 -1.42 0.00 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 -0.50 3.43 -2.57 0.54 2.85 -1.26 -5.07 118.16 115.57 1ocp n LYS 32 Ca 0.19 -4.46 -0.34 0.00 -1.05 0.00 0.00 58.31 52.65 1ocp n LYS 32 Cb 0.18 -2.24 -0.04 0.00 -0.65 0.00 0.00 35.03 32.28 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 3.87 0.33 -1.58 0.04 -1.25 -5.05 135.00 127.81 1ocp s PRO 33 Ca 0.48 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 1ocp s PRO 33 Cb 0.40 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1ocp s PRO 33 CO -0.16 -0.37 0.61 0.45 0.04 0.00 0.00 177.00 177.57 1ocp s SER 34 N -1.97 6.44 0.64 6.66 0.15 -1.26 -4.94 113.70 119.41 1ocp s SER 34 Ca 0.66 0.78 0.39 0.00 0.70 0.00 0.00 55.95 58.48 1ocp s SER 34 Cb -0.16 -2.17 2.18 0.00 -1.71 0.00 0.00 66.02 64.15 1ocp s SER 34 CO 0.20 -0.26 2.32 -0.07 1.20 0.00 0.00 173.24 176.63 1ocp h LEU 35 N 1.44 0.00 -0.19 3.45 3.38 -1.99 0.16 115.31 121.57 1ocp h LEU 35 Ca -0.48 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 1ocp h LEU 35 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ocp h LEU 35 CO 0.65 0.00 -0.65 1.56 0.09 0.00 0.00 178.44 180.09 1ocp h GLN 36 N 0.00 0.77 -0.20 1.13 4.20 -2.00 -2.24 115.11 116.77 1ocp h GLN 36 Ca -0.00 -0.58 -0.05 0.00 0.06 0.00 0.00 58.65 58.08 1ocp h GLN 36 Cb 0.01 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1ocp h GLN 36 CO 0.00 1.20 -0.09 0.37 -0.67 0.00 0.00 178.83 179.64 1ocp h GLN 37 N 0.50 0.32 -0.08 1.46 4.15 -1.09 -0.79 115.11 119.58 1ocp h GLN 37 Ca -0.03 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 1ocp h GLN 37 Cb 1.27 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1ocp h GLN 37 CO 0.14 0.42 -0.43 0.82 -1.93 0.00 0.00 178.83 177.85 1ocp h ILE 38 N 0.30 1.32 -0.50 2.39 1.08 -1.10 0.16 117.51 121.17 1ocp h ILE 38 Ca 0.06 -1.55 -0.07 0.00 -0.39 0.00 0.00 64.86 62.91 1ocp h ILE 38 Cb 0.35 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1ocp h ILE 38 CO 0.02 0.46 0.02 0.74 -0.69 0.00 0.00 178.15 178.70 1ocp h THR 39 N 0.15 1.24 0.00 -0.27 2.02 -0.56 -0.75 112.91 114.74 1ocp h THR 39 Ca 0.01 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1ocp h THR 39 Cb 0.83 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ocp h THR 39 CO 0.06 0.35 -0.04 0.45 0.37 0.00 0.00 175.52 176.71 1ocp h HIS 40 N 0.77 0.00 -0.29 3.16 3.86 -0.65 -2.79 115.15 119.21 1ocp h HIS 40 Ca 0.15 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1ocp h HIS 40 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1ocp h HIS 40 CO 0.02 0.04 -0.22 0.82 0.86 0.00 0.00 177.93 179.46 1ocp h ILE 41 N 0.00 1.30 0.16 2.45 5.03 0.48 0.17 117.51 127.11 1ocp h ILE 41 Ca -0.00 -1.36 -0.01 0.00 -0.12 0.00 0.00 64.86 63.37 1ocp h ILE 41 Cb 0.81 1.55 0.00 0.00 -3.03 0.00 0.00 36.82 36.15 1ocp h ILE 41 CO 0.01 0.44 -0.08 0.00 -0.68 0.00 0.00 178.15 177.83 1ocp h ALA 42 N 0.72 -0.22 0.00 1.87 0.00 -1.23 -0.12 119.26 120.28 1ocp h ALA 42 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ocp h ALA 42 Cb 0.77 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ocp h ALA 42 CO 0.06 -0.55 0.00 -0.97 0.00 0.00 0.00 179.25 177.79 1ocp h ASN 43 N -0.37 0.00 0.76 0.00 -0.73 -1.48 0.48 115.58 114.25 1ocp h ASN 43 Ca -0.02 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.95 1ocp h ASN 43 Cb 0.29 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 1ocp h ASN 43 CO 0.04 0.00 -0.91 1.56 -0.37 0.00 0.00 177.43 177.75 1ocp h GLN 44 N 0.00 0.09 0.00 6.67 1.08 0.12 -3.35 115.11 119.71 1ocp h GLN 44 Ca 0.00 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 1ocp h GLN 44 Cb 0.13 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.50 1ocp h GLN 44 CO 0.00 0.93 -0.50 1.47 -0.95 0.00 0.00 178.83 179.79 1ocp n LEU 45 N -3.55 1.36 -2.43 1.46 -0.00 -0.61 -5.00 117.00 108.23 1ocp n LEU 45 Ca -0.02 -2.33 -0.06 0.00 -0.00 0.00 0.00 56.01 53.60 1ocp n LEU 45 Cb 0.84 -0.21 -0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1ocp n LEU 45 CO 0.47 0.65 -0.07 0.61 -0.00 0.00 0.00 177.39 179.05 1ocp n GLY 46 N -0.47 -0.47 4.01 1.47 0.00 0.16 -4.61 105.19 105.29 1ocp n GLY 46 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1ocp n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ocp s LEU 47 N -5.20 3.21 0.19 0.99 2.34 -1.18 -4.94 118.68 114.08 1ocp s LEU 47 Ca 0.00 -0.78 -0.11 0.00 0.06 0.00 0.00 54.13 53.30 1ocp s LEU 47 Cb 0.00 -1.85 -0.07 0.00 -0.56 0.00 0.00 46.19 43.71 1ocp s LEU 47 CO 0.00 -1.16 0.53 -0.70 -1.06 0.00 0.00 176.35 173.96 1ocp s GLU 48 N -4.54 3.85 0.59 1.48 2.12 -1.26 -4.77 118.70 116.16 1ocp s GLU 48 Ca 0.57 0.32 0.35 0.00 0.36 0.00 0.00 54.97 56.58 1ocp s GLU 48 Cb -0.06 -2.77 1.91 0.00 0.26 0.00 0.00 34.13 33.47 1ocp s GLU 48 CO 0.36 0.39 2.07 -0.22 -0.54 0.00 0.00 175.26 177.32 1ocp h LYS 49 N 2.97 0.00 -0.05 4.30 3.64 -1.98 -1.52 116.57 123.94 1ocp h LYS 49 Ca -0.48 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.71 1ocp h LYS 49 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1ocp h LYS 49 CO 0.68 0.00 -0.81 0.22 -2.27 0.00 0.00 179.45 177.27 1ocp h ASP 50 N 0.00 0.49 1.10 4.20 1.82 -1.99 -1.82 116.42 120.23 1ocp h ASP 50 Ca 0.00 -0.35 -0.15 0.00 -0.39 0.00 0.00 57.03 56.14 1ocp h ASP 50 Cb 0.21 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1ocp h ASP 50 CO 0.00 1.11 -0.95 1.62 -1.61 0.00 0.00 179.24 179.42 1ocp h VAL 51 N 0.26 0.84 -0.00 2.25 3.04 -1.68 -2.74 116.25 118.20 1ocp h VAL 51 Ca -0.05 -2.31 -0.17 0.00 -1.01 0.00 0.00 66.70 63.17 1ocp h VAL 51 Cb 1.41 2.33 -0.02 0.00 -2.01 0.00 0.00 31.29 33.00 1ocp h VAL 51 CO 0.14 0.48 -0.78 1.62 -1.01 0.00 0.00 177.57 178.02 1ocp h VAL 52 N 0.00 1.53 0.15 1.51 3.04 -1.47 -2.81 116.25 118.20 1ocp h VAL 52 Ca -0.07 -2.59 -0.31 0.00 -1.01 0.00 0.00 66.70 62.72 1ocp h VAL 52 Cb 1.53 2.40 0.03 0.00 -2.01 0.00 0.00 31.29 33.25 1ocp h VAL 52 CO 0.07 0.74 -1.30 -0.09 -1.01 0.00 0.00 177.57 175.99 1ocp h ARG 53 N 0.03 0.59 -0.29 4.17 1.12 -1.37 -2.59 114.38 116.04 1ocp h ARG 53 Ca -0.02 -0.83 -0.01 0.00 -1.11 0.00 0.00 59.98 58.02 1ocp h ARG 53 Cb 1.37 0.28 -0.01 0.00 -0.01 0.00 0.00 29.97 31.60 1ocp h ARG 53 CO 0.11 1.38 0.16 0.28 -3.11 0.00 0.00 179.97 178.79 1ocp h VAL 54 N 0.24 1.12 -0.24 0.20 2.07 -1.50 0.55 116.25 118.69 1ocp h VAL 54 Ca -0.20 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1ocp h VAL 54 Cb 1.97 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1ocp h VAL 54 CO 0.24 0.12 0.08 -0.25 0.02 0.00 0.00 177.57 177.79 1ocp h TRP 55 N 0.35 0.37 0.00 1.57 7.01 -1.58 -2.23 115.95 121.44 1ocp h TRP 55 Ca 0.10 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1ocp h TRP 55 Cb 0.06 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1ocp h TRP 55 CO -0.03 0.41 0.00 0.34 -2.79 0.00 0.00 178.44 176.37 1ocp n PHE 56 N -4.78 0.00 0.12 2.65 7.35 -0.97 -1.79 117.46 120.04 1ocp n PHE 56 Ca -0.03 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.46 1ocp n PHE 56 Cb 0.14 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.83 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 0.12 0.00 1.01 0.00 4.21 -1.52 -2.55 115.58 116.86 1ocp h ASN 58 Ca -0.19 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.25 1ocp h ASN 58 Cb 2.05 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.24 1ocp h ASN 58 CO 0.24 0.86 -0.32 0.03 -1.29 0.00 0.00 177.43 176.95 1ocp h ARG 59 N 0.00 0.00 0.06 0.81 -0.00 -1.40 -0.66 114.38 113.18 1ocp h ARG 59 Ca -0.20 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 58.97 1ocp h ARG 59 Cb 1.83 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.77 1ocp h ARG 59 CO 0.08 0.32 -1.73 0.07 0.00 0.00 0.00 179.97 178.71 1ocp h ARG 60 N 0.00 0.12 -2.10 0.04 0.11 -1.27 -3.38 114.38 107.90 1ocp h ARG 60 Ca -0.00 -0.21 -0.62 0.00 0.10 0.00 0.00 59.98 59.25 1ocp h ARG 60 Cb 0.91 0.08 -0.40 0.00 1.11 0.00 0.00 29.97 31.67 1ocp h ARG 60 CO 0.04 0.84 -0.43 1.04 0.10 0.00 0.00 179.97 181.55 1ocp n GLN 61 N -3.26 3.49 0.10 0.08 1.13 -0.96 -4.77 117.38 113.19 1ocp n GLN 61 Ca -0.20 -4.72 -0.01 0.00 -1.94 0.00 0.00 57.00 50.13 1ocp n GLN 61 Cb 1.04 -2.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 1ocp n GLN 61 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1ocp h LYS 62 N 3.01 0.00 0.00 -1.09 2.10 -1.30 -3.44 116.57 115.85 1ocp h LYS 62 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1ocp h LYS 62 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1ocp h LYS 62 CO 0.88 0.61 0.00 0.41 -2.00 0.00 0.00 179.45 179.35 1ocp n GLY 63 N 1.29 0.01 2.18 0.07 0.00 -1.26 -5.04 105.19 102.44 1ocp n GLY 63 Ca -0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1ocp n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ocp n LYS 64 N 0.00 2.58 -0.02 1.61 3.00 -1.26 -4.23 118.16 119.84 1ocp n LYS 64 Ca 0.00 -3.00 -0.02 0.00 -0.00 0.00 0.00 58.31 55.29 1ocp n LYS 64 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 35.03 32.82 1ocp n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1ocp n ARG 65 N -0.91 3.08 -3.88 1.64 1.85 -1.26 -5.08 116.66 112.10 1ocp n ARG 65 Ca 0.55 -0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 57.30 1ocp n ARG 65 Cb 1.61 -1.11 -0.06 0.00 -1.05 0.00 0.00 32.46 31.85 1ocp n ARG 65 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1ocp s SER 66 N -3.47 -0.05 0.00 2.89 0.15 -1.26 -5.32 113.70 106.64 1ocp s SER 66 Ca -0.02 -0.73 0.27 0.00 0.70 0.00 0.00 55.95 56.17 1ocp s SER 66 Cb 0.01 0.47 0.83 0.00 -1.71 0.00 0.00 66.02 65.63 1ocp s SER 66 CO 0.18 -0.93 1.62 -1.20 1.20 0.00 0.00 173.24 174.11