#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj1 n PRO 44 N 0.00 -0.86 -3.73 1.61 -0.02 -1.26 -5.02 135.00 125.72 2kj1 n PRO 44 Ca 0.00 -0.25 -0.15 0.00 -2.02 0.00 0.00 63.50 61.08 2kj1 n PRO 44 Cb 0.00 -1.30 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 2kj1 n PRO 44 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2kj1 s ASN 45 N -1.41 0.20 0.60 2.55 3.84 -1.26 -5.00 114.94 114.45 2kj1 s ASN 45 Ca 0.40 0.23 0.29 0.00 0.21 0.00 0.00 52.86 53.99 2kj1 s ASN 45 Cb 0.00 0.12 1.18 0.00 -0.55 0.00 0.00 41.25 42.00 2kj1 s ASN 45 CO 0.56 -0.17 1.55 0.07 -2.79 0.00 0.00 177.10 176.32 2kj1 h LYS 46 N 7.57 0.00 0.00 0.43 2.10 -2.01 1.29 116.57 125.95 2kj1 h LYS 46 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2kj1 h LYS 46 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2kj1 h LYS 46 CO 0.36 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.74 2kj1 h GLU 47 N 0.00 0.00 0.10 0.07 5.08 -1.99 -2.81 114.58 115.03 2kj1 h GLU 47 Ca 0.40 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.48 2kj1 h GLU 47 Cb 2.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.52 2kj1 h GLU 47 CO -0.00 0.00 -1.50 1.15 -1.00 0.00 0.00 179.01 177.66 2kj1 h THR 48 N 0.00 0.93 -0.44 1.13 2.02 0.13 -2.61 112.91 114.06 2kj1 h THR 48 Ca 0.00 -2.35 -0.03 0.00 0.77 0.00 0.00 66.41 64.80 2kj1 h THR 48 Cb 0.65 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 2kj1 h THR 48 CO 0.00 0.68 0.15 0.16 0.37 0.00 0.00 175.52 176.87 2kj1 h ILE 49 N -0.36 1.18 -0.19 3.11 -0.00 -1.58 -2.51 117.51 117.16 2kj1 h ILE 49 Ca -0.34 -0.60 -0.12 0.00 -0.00 0.00 0.00 64.86 63.80 2kj1 h ILE 49 Cb 1.73 0.69 0.00 0.00 -0.00 0.00 0.00 36.82 39.24 2kj1 h ILE 49 CO 0.02 0.23 -0.34 0.78 -0.00 0.00 0.00 178.15 178.84 2kj1 h ASN 50 N 0.64 0.63 -1.01 2.16 4.21 -1.61 -1.67 115.58 118.93 2kj1 h ASN 50 Ca 0.15 -0.54 0.13 0.00 1.21 0.00 0.00 56.30 57.26 2kj1 h ASN 50 Cb 0.18 -0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 37.11 2kj1 h ASN 50 CO -0.01 1.05 0.63 0.03 -1.29 0.00 0.00 177.43 177.84 2kj1 h ARG 51 N 0.23 0.93 0.05 0.81 3.08 -1.05 0.55 114.38 118.98 2kj1 h ARG 51 Ca 0.01 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 2kj1 h ARG 51 Cb 0.93 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2kj1 h ARG 51 CO 0.08 0.61 -1.04 1.05 -1.07 0.00 0.00 179.97 179.60 2kj1 h GLU 52 N 0.96 0.24 -0.07 0.04 4.11 -1.43 -2.84 114.58 115.59 2kj1 h GLU 52 Ca 0.51 -0.33 -0.17 0.00 0.07 0.00 0.00 59.36 59.44 2kj1 h GLU 52 Cb 0.57 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kj1 h GLU 52 CO -0.29 1.09 -0.70 0.28 0.07 0.00 0.00 179.01 179.46 2kj1 h VAL 53 N 0.11 1.39 0.64 -1.06 2.07 -0.18 -2.30 116.25 116.91 2kj1 h VAL 53 Ca -0.08 -2.12 -0.03 0.00 0.82 0.00 0.00 66.70 65.29 2kj1 h VAL 53 Cb 1.72 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2kj1 h VAL 53 CO 0.17 0.63 -0.31 -1.28 0.02 0.00 0.00 177.57 176.80 2kj1 h SER 54 N 0.24 -0.72 -0.97 0.57 0.87 -0.00 -2.57 113.55 110.96 2kj1 h SER 54 Ca -0.02 -0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.78 2kj1 h SER 54 Cb 1.25 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 63.33 2kj1 h SER 54 CO 0.12 -0.34 0.65 0.40 -0.53 0.00 0.00 176.83 177.13 2kj1 h ILE 55 N -1.17 0.58 -0.16 2.23 2.04 -1.57 0.85 117.51 120.30 2kj1 h ILE 55 Ca -0.09 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2kj1 h ILE 55 Cb 0.68 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 2kj1 h ILE 55 CO 0.14 0.05 -0.23 0.25 0.00 0.00 0.00 178.15 178.36 2kj1 h LEU 56 N 0.28 -0.72 -0.28 1.44 7.12 -1.02 0.20 115.31 122.33 2kj1 h LEU 56 Ca 0.51 0.12 0.04 0.00 0.13 0.00 0.00 57.88 58.68 2kj1 h LEU 56 Cb 1.49 0.33 -0.04 0.00 -0.53 0.00 0.00 40.66 41.91 2kj1 h LEU 56 CO -0.16 -0.28 0.05 0.03 -0.13 0.00 0.00 178.44 177.95 2kj1 h ARG 57 N -0.28 0.15 0.05 1.25 2.47 -0.53 -2.34 114.38 115.15 2kj1 h ARG 57 Ca 0.11 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2kj1 h ARG 57 Cb 0.44 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 2kj1 h ARG 57 CO -0.32 0.10 -0.18 1.25 0.56 0.00 0.00 179.97 181.37 2kj1 h HIS 58 N 0.15 -0.47 -0.81 3.04 2.76 -1.06 -1.99 115.15 116.77 2kj1 h HIS 58 Ca 0.13 0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.50 2kj1 h HIS 58 Cb 0.14 0.20 -0.14 0.00 1.55 0.00 0.00 27.41 29.16 2kj1 h HIS 58 CO -0.17 -0.26 -0.00 0.77 -1.30 0.00 0.00 177.93 176.96 2kj1 h SER 59 N -0.32 -0.40 0.08 3.26 0.02 -0.20 0.67 113.55 116.65 2kj1 h SER 59 Ca 0.04 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2kj1 h SER 59 Cb 0.37 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2kj1 h SER 59 CO -0.14 -0.21 -0.43 0.22 -1.14 0.00 0.00 176.83 175.13 2kj1 h TYR 60 N 0.08 -1.23 -0.02 3.45 5.03 -0.85 -1.72 116.97 121.71 2kj1 h TYR 60 Ca 0.45 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.79 2kj1 h TYR 60 Cb 0.81 0.53 -0.00 0.00 1.55 0.00 0.00 36.73 39.61 2kj1 h TYR 60 CO -0.45 -0.52 -0.02 1.96 -1.32 0.00 0.00 178.16 177.80 2kj1 h GLN 61 N -0.64 -0.01 -0.98 1.82 1.08 -0.60 0.66 115.11 116.44 2kj1 h GLN 61 Ca 0.03 0.00 0.32 0.00 -1.45 0.00 0.00 58.65 57.55 2kj1 h GLN 61 Cb 0.68 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.94 2kj1 h GLN 61 CO -0.28 -0.01 0.29 -0.22 -0.95 0.00 0.00 178.83 177.67 2kj1 h LYS 62 N -0.01 0.07 0.29 1.46 3.64 -1.29 -1.06 116.57 119.66 2kj1 h LYS 62 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kj1 h LYS 62 Cb 0.02 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2kj1 h LYS 62 CO -0.03 0.04 -0.18 0.93 -2.27 0.00 0.00 179.45 177.94 2kj1 h GLU 63 N 0.07 -0.43 -0.48 1.90 4.39 0.05 0.45 114.58 120.53 2kj1 h GLU 63 Ca 0.69 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.52 2kj1 h GLU 63 Cb 1.62 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 30.26 2kj1 h GLU 63 CO -0.80 -0.28 -0.24 0.97 -1.16 0.00 0.00 179.01 177.50 2kj1 h ILE 64 N -0.44 0.32 0.08 3.13 6.09 -0.43 0.15 117.51 126.41 2kj1 h ILE 64 Ca -0.04 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.47 2kj1 h ILE 64 Cb 0.36 0.32 -0.05 0.00 0.47 0.00 0.00 36.82 37.92 2kj1 h ILE 64 CO 0.04 0.00 -0.44 1.56 -3.07 0.00 0.00 178.15 176.23 2kj1 h GLN 65 N -0.14 -0.63 -0.88 2.19 4.20 -1.11 -0.53 115.11 118.21 2kj1 h GLN 65 Ca 0.22 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.21 2kj1 h GLN 65 Cb 0.48 0.14 -0.15 0.00 0.30 0.00 0.00 27.48 28.25 2kj1 h GLN 65 CO -0.56 -0.42 0.13 0.00 -0.67 0.00 0.00 178.83 177.31 2kj1 h ALA 66 N -0.21 1.15 -0.88 3.87 0.00 0.15 2.26 119.26 125.60 2kj1 h ALA 66 Ca 0.02 0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.40 2kj1 h ALA 66 Cb 0.69 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2kj1 h ALA 66 CO -0.28 -0.50 0.59 -0.22 0.00 0.00 0.00 179.25 178.84 2kj1 h LYS 67 N 0.12 0.37 0.49 0.00 3.64 0.62 0.26 116.57 122.07 2kj1 h LYS 67 Ca 0.54 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 2kj1 h LYS 67 Cb 1.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2kj1 h LYS 67 CO -0.74 0.25 -0.24 0.93 -2.27 0.00 0.00 179.45 177.38 2kj1 h GLU 68 N 0.38 -0.64 -0.78 1.90 4.39 0.42 0.13 114.58 120.38 2kj1 h GLU 68 Ca 0.46 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.33 2kj1 h GLU 68 Cb 1.17 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.91 2kj1 h GLU 68 CO -0.16 -0.34 0.51 1.15 -1.16 0.00 0.00 179.01 179.01 2kj1 h THR 69 N -0.90 0.84 0.66 1.13 2.02 -0.72 -1.35 112.91 114.59 2kj1 h THR 69 Ca -0.07 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2kj1 h THR 69 Cb 0.60 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2kj1 h THR 69 CO 0.11 0.10 -0.32 -0.03 0.37 0.00 0.00 175.52 175.75 2kj1 h MET 70 N 0.53 -0.86 -0.80 6.66 -1.53 -0.13 -1.50 114.93 117.30 2kj1 h MET 70 Ca 0.38 0.06 0.23 0.00 -3.44 0.00 0.00 59.70 56.93 2kj1 h MET 70 Cb 0.72 0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.93 2kj1 h MET 70 CO -0.14 -0.54 0.91 -0.22 0.14 0.00 0.00 176.91 177.07 2kj1 h LYS 71 N -1.04 0.00 0.05 0.39 1.63 0.36 0.62 116.57 118.58 2kj1 h LYS 71 Ca -0.09 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2kj1 h LYS 71 Cb 0.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2kj1 h LYS 71 CO 0.15 0.00 -0.03 1.49 -3.45 0.00 0.00 179.45 177.61 2kj1 h GLU 72 N 0.00 -0.07 -0.81 1.90 4.81 -0.68 -2.27 114.58 117.46 2kj1 h GLU 72 Ca 0.38 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.81 2kj1 h GLU 72 Cb 2.21 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 31.48 2kj1 h GLU 72 CO -0.00 0.50 0.23 0.28 -0.73 0.00 0.00 179.01 179.28 2kj1 h VAL 73 N -0.71 0.44 -0.08 0.32 2.07 0.66 0.17 116.25 119.12 2kj1 h VAL 73 Ca -0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2kj1 h VAL 73 Cb 0.60 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2kj1 h VAL 73 CO 0.01 0.05 0.03 -0.07 0.02 0.00 0.00 177.57 177.61 2kj1 h LEU 74 N 0.27 0.11 -0.89 2.57 3.38 -1.47 -1.97 115.31 117.32 2kj1 h LEU 74 Ca 0.48 -0.16 0.23 0.00 0.09 0.00 0.00 57.88 58.52 2kj1 h LEU 74 Cb 0.89 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 2kj1 h LEU 74 CO -0.56 0.24 0.35 0.28 0.09 0.00 0.00 178.44 178.83 2kj1 h SER 75 N -0.03 0.23 0.41 -0.43 0.02 -0.09 1.36 113.55 115.01 2kj1 h SER 75 Ca 0.03 0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 2kj1 h SER 75 Cb 0.16 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2kj1 h SER 75 CO -0.00 -0.06 -0.40 0.44 -1.14 0.00 0.00 176.83 175.68 2kj1 h ASP 76 N 0.33 0.00 0.23 3.07 3.32 -0.77 -1.72 116.42 120.89 2kj1 h ASP 76 Ca 0.56 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.60 2kj1 h ASP 76 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2kj1 h ASP 76 CO -0.57 0.40 -0.11 -1.13 -1.72 0.00 0.00 179.24 176.11 2kj1 h ASN 77 N 0.00 -0.27 -0.26 6.45 -0.73 0.23 -2.69 115.58 118.31 2kj1 h ASN 77 Ca -0.00 -0.09 0.07 0.00 1.87 0.00 0.00 56.30 58.15 2kj1 h ASN 77 Cb 0.71 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 2kj1 h ASN 77 CO 0.05 0.23 0.45 0.24 -0.37 0.00 0.00 177.43 178.03 2kj1 h MET 78 N -1.05 0.00 0.11 6.67 2.86 -0.21 0.73 114.93 124.05 2kj1 h MET 78 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2kj1 h MET 78 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2kj1 h MET 78 CO 0.05 0.00 -0.05 1.49 1.06 0.00 0.00 176.91 179.46 2kj1 h GLU 79 N 0.00 -0.15 0.00 1.72 4.81 -1.22 0.53 114.58 120.27 2kj1 h GLU 79 Ca 0.12 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2kj1 h GLU 79 Cb 1.02 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 2kj1 h GLU 79 CO -0.00 0.33 -0.11 0.28 -0.73 0.00 0.00 179.01 178.77 2kj1 h VAL 80 N -0.72 0.79 0.00 0.32 2.07 -0.57 -1.50 116.25 116.63 2kj1 h VAL 80 Ca -0.02 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2kj1 h VAL 80 Cb 0.54 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2kj1 h VAL 80 CO 0.03 0.11 -0.48 0.25 0.02 0.00 0.00 177.57 177.50 2kj1 h LEU 81 N 0.00 0.00 -1.30 2.57 5.85 -1.14 -2.82 115.31 118.46 2kj1 h LEU 81 Ca -0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2kj1 h LEU 81 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2kj1 h LEU 81 CO 0.01 0.83 0.24 0.28 -0.34 0.00 0.00 178.44 179.47 2kj1 h SER 82 N -1.00 0.00 0.00 1.25 0.02 0.07 0.49 113.55 114.38 2kj1 h SER 82 Ca -0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2kj1 h SER 82 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kj1 h SER 82 CO -0.03 0.00 -0.56 0.44 -1.14 0.00 0.00 176.83 175.53 2kj1 h ASP 83 N 0.00 0.00 -0.11 3.07 3.32 -1.38 -3.36 116.42 117.97 2kj1 h ASP 83 Ca 0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2kj1 h ASP 83 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2kj1 h ASP 83 CO 0.00 0.83 0.02 1.41 -1.72 0.00 0.00 179.24 179.78 2kj1 n HIS 84 N -4.61 0.37 -0.80 4.55 8.25 -0.77 -4.93 115.22 117.28 2kj1 n HIS 84 Ca -0.10 -0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 56.90 2kj1 n HIS 84 Cb 0.30 -0.20 0.06 0.00 1.12 0.00 0.00 29.99 31.26 2kj1 n HIS 84 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2kj1 n ILE 85 N 0.13 0.00 -1.67 1.59 0.13 0.16 -4.60 119.36 115.10 2kj1 n ILE 85 Ca 0.06 -0.05 -0.57 0.00 -1.10 0.00 0.00 62.75 61.09 2kj1 n ILE 85 Cb 0.46 -0.16 -0.07 0.00 -0.84 0.00 0.00 39.64 39.02 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 2.80 0.00 0.00 176.55 179.90 2kj1 n VAL 86 N -3.63 0.18 -5.02 9.51 3.14 -1.26 -4.45 118.33 116.79 2kj1 n VAL 86 Ca 0.00 -0.03 -0.29 0.00 -2.96 0.00 0.00 64.34 61.06 2kj1 n VAL 86 Cb 0.45 -0.99 -0.16 0.00 -1.06 0.00 0.00 33.84 32.08 2kj1 n VAL 86 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2kj1 s ILE 87 N 2.49 1.72 0.12 1.55 2.07 -1.21 -4.78 121.20 123.15 2kj1 s ILE 87 Ca 0.95 -0.87 -0.34 0.00 -1.41 0.00 0.00 60.65 58.99 2kj1 s ILE 87 Cb -1.09 -1.47 -0.13 0.00 0.13 0.00 0.00 42.46 39.90 2kj1 s ILE 87 CO 0.62 0.48 1.64 1.21 -1.91 0.00 0.00 174.94 176.98 2kj1 n GLU 88 N 3.18 2.19 0.00 3.50 2.13 -1.26 0.19 120.64 130.56 2kj1 n GLU 88 Ca -0.18 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2kj1 n GLU 88 Cb 0.52 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kj1 n GLY 89 N 3.62 2.95 2.39 8.31 0.00 -1.26 -4.70 105.19 116.50 2kj1 n GLY 89 Ca 0.18 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 2kj1 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kj1 n LEU 90 N 0.00 1.83 -4.67 0.99 -0.00 0.76 -5.01 117.00 110.90 2kj1 n LEU 90 Ca 0.00 -5.17 -0.45 0.00 -0.00 0.00 0.00 56.01 50.39 2kj1 n LEU 90 Cb 0.00 0.33 -0.04 0.00 -0.00 0.00 0.00 43.42 43.71 2kj1 n LEU 90 CO 0.00 2.28 1.54 -0.24 -0.00 0.00 0.00 177.39 180.97 2kj1 n SER 91 N 0.26 3.85 -0.12 1.96 2.88 0.49 -3.36 113.62 119.59 2kj1 n SER 91 Ca 0.26 0.94 0.27 0.00 -1.33 0.00 0.00 58.87 59.02 2kj1 n SER 91 Cb 0.57 -1.47 0.66 0.00 -0.75 0.00 0.00 64.21 63.23 2kj1 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kj1 h ALA 92 N 9.76 2.65 0.18 -1.46 0.00 -1.80 -1.34 119.26 127.25 2kj1 h ALA 92 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2kj1 h ALA 92 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kj1 h ALA 92 CO 0.94 -1.22 -0.09 1.49 0.00 0.00 0.00 179.25 180.38 2kj1 h GLU 93 N 0.00 -0.23 -0.98 0.00 4.81 -1.96 -1.91 114.58 114.31 2kj1 h GLU 93 Ca 0.39 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.80 2kj1 h GLU 93 Cb 1.97 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 31.24 2kj1 h GLU 93 CO -0.00 -0.16 -0.33 1.49 -0.73 0.00 0.00 179.01 179.28 2kj1 h GLU 94 N -0.54 -0.01 0.50 1.92 4.81 -1.63 0.14 114.58 119.77 2kj1 h GLU 94 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2kj1 h GLU 94 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kj1 h GLU 94 CO 0.04 -0.00 -0.24 0.97 -0.73 0.00 0.00 179.01 179.05 2kj1 h ILE 95 N -0.01 0.51 -0.78 2.32 2.10 -1.53 -2.17 117.51 117.94 2kj1 h ILE 95 Ca 0.39 -0.09 0.13 0.00 1.08 0.00 0.00 64.86 66.37 2kj1 h ILE 95 Cb 0.64 0.55 -0.14 0.00 -1.09 0.00 0.00 36.82 36.78 2kj1 h ILE 95 CO -0.99 0.02 -0.36 0.40 -1.08 0.00 0.00 178.15 176.14 2kj1 h ILE 96 N -0.72 0.09 0.14 2.19 2.04 0.03 -1.87 117.51 119.41 2kj1 h ILE 96 Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2kj1 h ILE 96 Cb 0.54 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2kj1 h ILE 96 CO 0.11 0.00 -0.13 0.50 0.00 0.00 0.00 178.15 178.63 2kj1 h LYS 97 N -0.09 -0.26 -0.77 2.37 3.64 -0.83 -0.34 116.57 120.29 2kj1 h LYS 97 Ca 0.28 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.89 2kj1 h LYS 97 Cb 0.57 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.31 2kj1 h LYS 97 CO -0.83 -0.17 0.02 -1.33 -2.27 0.00 0.00 179.45 174.87 2kj1 n MET 98 N -3.09 -0.06 0.20 1.90 2.81 -0.83 0.31 117.12 118.35 2kj1 n MET 98 Ca -0.03 1.15 0.08 0.00 -1.81 0.00 0.00 57.70 57.10 2kj1 n MET 98 Cb 0.12 -1.84 0.24 0.00 -0.71 0.00 0.00 33.22 31.03 2kj1 n MET 98 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2kj1 h GLY 99 N 0.00 0.00 2.00 3.03 0.00 -1.04 -3.01 103.07 104.05 2kj1 h GLY 99 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 2kj1 h GLY 99 CO -0.72 0.00 -0.30 0.83 0.00 0.00 0.00 176.54 176.35 2kj1 h GLU 100 N 0.00 0.00 -0.20 4.80 4.39 0.66 0.21 114.58 124.44 2kj1 h GLU 100 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2kj1 h GLU 100 Cb 1.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2kj1 h GLU 100 CO 0.03 0.30 -0.12 1.15 -1.16 0.00 0.00 179.01 179.21 2kj1 h THR 101 N 0.00 1.19 0.00 1.13 2.02 -1.19 -3.35 112.91 112.71 2kj1 h THR 101 Ca -0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2kj1 h THR 101 Cb 0.72 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2kj1 h THR 101 CO 0.04 0.27 -0.64 0.52 0.37 0.00 0.00 175.52 176.08 2kj1 n VAL 102 N -4.25 0.96 0.00 3.16 0.31 -0.97 -5.15 118.33 112.38 2kj1 n VAL 102 Ca -0.00 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 2kj1 n VAL 102 Cb 0.28 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40