#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 -0.01 0.00 1.61 -0.02 -1.26 -5.00 135.00 130.32 2kj1 n PRO 44 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2kj1 n PRO 44 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2kj1 n PRO 44 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kj1 n ASN 45 N 0.12 0.00 0.15 2.55 2.85 -1.26 -4.96 115.26 114.72 2kj1 n ASN 45 Ca 0.06 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.62 2kj1 n ASN 45 Cb 0.52 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.68 2kj1 n ASN 45 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2kj1 n LYS 46 N -0.24 0.02 0.24 1.20 4.76 -1.26 0.18 118.16 123.06 2kj1 n LYS 46 Ca 0.00 0.97 0.15 0.00 -2.87 0.00 0.00 58.31 56.56 2kj1 n LYS 46 Cb 0.00 -2.55 0.52 0.00 -1.84 0.00 0.00 35.03 31.16 2kj1 n LYS 46 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2kj1 h GLU 47 N 0.00 0.00 0.07 1.97 4.39 -1.96 -2.83 114.58 116.23 2kj1 h GLU 47 Ca 0.16 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.62 2kj1 h GLU 47 Cb 2.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.93 2kj1 h GLU 47 CO -0.00 0.00 -1.22 1.15 -1.16 0.00 0.00 179.01 177.78 2kj1 h THR 48 N 0.00 1.08 -0.70 1.13 2.02 0.15 -2.60 112.91 113.98 2kj1 h THR 48 Ca 0.00 -2.33 -0.00 0.00 0.77 0.00 0.00 66.41 64.84 2kj1 h THR 48 Cb 0.63 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 2kj1 h THR 48 CO 0.00 0.60 0.43 0.16 0.37 0.00 0.00 175.52 177.08 2kj1 h ILE 49 N -0.55 1.20 -0.26 3.11 -0.00 -1.63 -2.37 117.51 117.01 2kj1 h ILE 49 Ca -0.28 -0.42 -0.10 0.00 -0.00 0.00 0.00 64.86 64.06 2kj1 h ILE 49 Cb 1.56 0.20 -0.00 0.00 -0.00 0.00 0.00 36.82 38.57 2kj1 h ILE 49 CO -0.02 0.20 -0.23 -1.13 -0.00 0.00 0.00 178.15 176.97 2kj1 h ASN 50 N 0.97 0.65 -0.73 2.16 -1.24 -1.62 -2.05 115.58 113.71 2kj1 h ASN 50 Ca 0.25 -0.47 0.10 0.00 0.71 0.00 0.00 56.30 56.90 2kj1 h ASN 50 Cb -0.05 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 38.75 2kj1 h ASN 50 CO -0.05 0.98 0.37 -0.09 -1.29 0.00 0.00 177.43 177.35 2kj1 h ARG 51 N 0.33 0.60 -0.18 6.67 2.43 -1.02 0.59 114.38 123.80 2kj1 h ARG 51 Ca 0.04 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 2kj1 h ARG 51 Cb 0.79 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kj1 h ARG 51 CO 0.06 0.40 -0.61 1.05 -1.51 0.00 0.00 179.97 179.35 2kj1 h GLU 52 N 0.62 0.61 0.00 0.20 4.11 -1.44 -2.81 114.58 115.86 2kj1 h GLU 52 Ca 0.36 -0.42 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 2kj1 h GLU 52 Cb 0.39 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kj1 h GLU 52 CO -0.28 1.04 -0.15 0.28 0.07 0.00 0.00 179.01 179.98 2kj1 h VAL 53 N 0.46 0.32 0.39 -1.06 2.07 -0.52 -2.46 116.25 115.45 2kj1 h VAL 53 Ca -0.01 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2kj1 h VAL 53 Cb 1.19 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2kj1 h VAL 53 CO 0.12 0.14 -0.19 -1.28 0.02 0.00 0.00 177.57 176.38 2kj1 h SER 54 N 0.00 -0.44 -0.83 0.57 0.87 0.36 -2.82 113.55 111.27 2kj1 h SER 54 Ca -0.00 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.77 2kj1 h SER 54 Cb 0.78 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 2kj1 h SER 54 CO 0.02 -0.05 0.56 0.40 -0.53 0.00 0.00 176.83 177.23 2kj1 h ILE 55 N -1.06 0.69 -0.03 2.23 2.04 -1.56 -0.64 117.51 119.19 2kj1 h ILE 55 Ca -0.05 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2kj1 h ILE 55 Cb 0.40 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2kj1 h ILE 55 CO 0.09 0.06 -0.40 0.25 0.00 0.00 0.00 178.15 178.15 2kj1 h LEU 56 N 0.31 -1.22 -0.50 1.44 7.12 -1.34 0.36 115.31 121.48 2kj1 h LEU 56 Ca 0.42 0.15 0.09 0.00 0.13 0.00 0.00 57.88 58.67 2kj1 h LEU 56 Cb 1.15 0.48 -0.07 0.00 -0.53 0.00 0.00 40.66 41.70 2kj1 h LEU 56 CO -0.12 -0.44 0.09 -0.09 -0.13 0.00 0.00 178.44 177.75 2kj1 h ARG 57 N -0.54 0.21 -0.04 1.25 2.43 -0.86 -1.35 114.38 115.49 2kj1 h ARG 57 Ca 0.06 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2kj1 h ARG 57 Cb 0.63 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2kj1 h ARG 57 CO -0.32 0.14 -0.18 1.25 -1.51 0.00 0.00 179.97 179.35 2kj1 h HIS 58 N 0.22 -0.46 -0.73 2.20 2.76 -0.94 -1.73 115.15 116.47 2kj1 h HIS 58 Ca 0.25 0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.59 2kj1 h HIS 58 Cb 0.34 0.21 -0.13 0.00 1.55 0.00 0.00 27.41 29.38 2kj1 h HIS 58 CO -0.24 -0.26 -0.09 0.77 -1.30 0.00 0.00 177.93 176.82 2kj1 h SER 59 N -0.27 -0.50 -0.17 3.26 0.02 0.73 0.01 113.55 116.63 2kj1 h SER 59 Ca 0.07 0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2kj1 h SER 59 Cb 0.36 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 2kj1 h SER 59 CO -0.20 -0.21 -0.49 0.22 -1.14 0.00 0.00 176.83 175.02 2kj1 h TYR 60 N 0.05 -1.43 -0.27 3.45 3.20 -0.57 -1.22 116.97 120.17 2kj1 h TYR 60 Ca 0.38 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.33 2kj1 h TYR 60 Cb 0.62 0.65 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2kj1 h TYR 60 CO -0.50 -0.51 -0.24 1.96 -1.64 0.00 0.00 178.16 177.23 2kj1 h GLN 61 N -0.52 -0.10 -0.85 1.82 1.08 -0.75 0.83 115.11 116.63 2kj1 h GLN 61 Ca 0.06 0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.45 2kj1 h GLN 61 Cb 0.65 0.02 -0.16 0.00 -0.05 0.00 0.00 27.48 27.95 2kj1 h GLN 61 CO -0.44 -0.06 -0.13 0.87 -0.95 0.00 0.00 178.83 178.11 2kj1 h LYS 62 N -0.10 0.02 0.05 1.46 1.79 -1.05 0.02 116.57 118.76 2kj1 h LYS 62 Ca 0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2kj1 h LYS 62 Cb 0.22 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2kj1 h LYS 62 CO -0.31 0.02 -0.16 0.93 -1.08 0.00 0.00 179.45 178.84 2kj1 h GLU 63 N 0.02 -0.23 -0.30 3.15 4.39 0.35 0.19 114.58 122.15 2kj1 h GLU 63 Ca 0.44 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.22 2kj1 h GLU 63 Cb 0.73 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 2kj1 h GLU 63 CO -0.84 -0.15 -0.26 0.97 -1.16 0.00 0.00 179.01 177.57 2kj1 h ILE 64 N -0.24 0.35 0.00 3.13 2.10 -0.54 1.52 117.51 123.83 2kj1 h ILE 64 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2kj1 h ILE 64 Cb 0.24 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 36.31 2kj1 h ILE 64 CO -0.08 0.00 0.16 0.00 -1.08 0.00 0.00 178.15 177.15 2kj1 n GLN 65 N -5.39 0.05 -0.06 2.19 6.02 -0.08 -0.89 117.38 119.22 2kj1 n GLN 65 Ca -0.00 0.48 -0.15 0.00 -0.01 0.00 0.00 57.00 57.32 2kj1 n GLN 65 Cb 0.31 -1.83 -0.13 0.00 1.02 0.00 0.00 30.24 29.60 2kj1 n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kj1 h ALA 66 N 1.48 0.02 -0.43 -1.58 0.00 0.53 -2.83 119.26 116.46 2kj1 h ALA 66 Ca 0.00 -0.60 0.12 0.00 0.00 0.00 0.00 54.91 54.44 2kj1 h ALA 66 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kj1 h ALA 66 CO 0.00 0.11 0.33 -0.22 0.00 0.00 0.00 179.25 179.47 2kj1 h LYS 67 N -0.94 0.00 0.50 0.00 3.64 -0.57 0.16 116.57 119.36 2kj1 h LYS 67 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2kj1 h LYS 67 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2kj1 h LYS 67 CO -0.01 0.00 -0.24 0.93 -2.27 0.00 0.00 179.45 177.86 2kj1 h GLU 68 N 0.00 -0.64 -0.44 1.90 5.08 -1.50 -0.19 114.58 118.78 2kj1 h GLU 68 Ca 0.20 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2kj1 h GLU 68 Cb 0.85 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2kj1 h GLU 68 CO -0.00 -0.43 0.31 1.15 -1.00 0.00 0.00 179.01 179.04 2kj1 h THR 69 N -1.02 0.82 0.64 1.13 2.02 -1.14 -2.29 112.91 113.07 2kj1 h THR 69 Ca -0.07 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2kj1 h THR 69 Cb 0.51 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2kj1 h THR 69 CO 0.11 0.02 -0.31 -0.03 0.37 0.00 0.00 175.52 175.68 2kj1 h MET 70 N 0.09 -0.82 -1.18 6.66 -1.53 -0.60 -1.78 114.93 115.76 2kj1 h MET 70 Ca 0.21 0.06 0.34 0.00 -3.44 0.00 0.00 59.70 56.87 2kj1 h MET 70 Cb 0.72 0.19 -0.05 0.00 -0.55 0.00 0.00 31.60 31.91 2kj1 h MET 70 CO -0.02 -0.54 0.91 -0.22 0.14 0.00 0.00 176.91 177.19 2kj1 h LYS 71 N -1.21 0.00 0.05 0.39 3.64 -0.50 0.21 116.57 119.16 2kj1 h LYS 71 Ca -0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2kj1 h LYS 71 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2kj1 h LYS 71 CO 0.14 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.23 2kj1 h GLU 72 N 0.00 -0.07 -0.99 1.90 3.07 -1.14 -2.64 114.58 114.72 2kj1 h GLU 72 Ca 0.56 0.00 0.30 0.00 -0.50 0.00 0.00 59.36 59.72 2kj1 h GLU 72 Cb 2.38 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 30.16 2kj1 h GLU 72 CO -0.01 0.53 0.53 0.28 -1.40 0.00 0.00 179.01 178.94 2kj1 h VAL 73 N -0.75 0.34 -0.02 3.13 2.07 0.31 0.10 116.25 121.44 2kj1 h VAL 73 Ca -0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2kj1 h VAL 73 Cb 0.62 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2kj1 h VAL 73 CO 0.01 0.06 -0.02 -0.07 0.02 0.00 0.00 177.57 177.57 2kj1 h LEU 74 N 0.35 0.05 -0.78 2.57 3.38 -1.48 -1.76 115.31 117.65 2kj1 h LEU 74 Ca 0.69 -0.53 0.18 0.00 0.09 0.00 0.00 57.88 58.32 2kj1 h LEU 74 Cb 1.52 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 2kj1 h LEU 74 CO -0.59 0.57 0.08 0.28 0.09 0.00 0.00 178.44 178.87 2kj1 h SER 75 N -0.46 -0.22 0.60 -0.43 0.02 -0.45 0.72 113.55 113.33 2kj1 h SER 75 Ca 0.00 0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 2kj1 h SER 75 Cb 0.56 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2kj1 h SER 75 CO 0.01 -0.15 -0.56 0.44 -1.14 0.00 0.00 176.83 175.42 2kj1 h ASP 76 N 0.15 0.00 0.46 3.07 3.32 -1.28 -2.40 116.42 119.73 2kj1 h ASP 76 Ca 0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 2kj1 h ASP 76 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2kj1 h ASP 76 CO -0.64 0.56 -0.22 -1.13 -1.72 0.00 0.00 179.24 176.09 2kj1 h ASN 77 N 0.00 -0.52 -0.77 6.45 -0.73 0.12 -1.57 115.58 118.57 2kj1 h ASN 77 Ca -0.01 0.02 0.18 0.00 1.87 0.00 0.00 56.30 58.36 2kj1 h ASN 77 Cb 1.02 0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.70 2kj1 h ASN 77 CO 0.07 -0.21 0.52 0.24 -0.37 0.00 0.00 177.43 177.69 2kj1 h MET 78 N -0.95 0.25 0.38 6.67 2.86 -0.76 -1.33 114.93 122.05 2kj1 h MET 78 Ca -0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2kj1 h MET 78 Cb 0.47 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2kj1 h MET 78 CO 0.10 0.16 -0.18 1.49 1.06 0.00 0.00 176.91 179.55 2kj1 h GLU 79 N 0.26 -0.49 -0.91 1.72 4.22 -1.36 0.30 114.58 118.31 2kj1 h GLU 79 Ca 0.38 0.03 0.20 0.00 0.08 0.00 0.00 59.36 60.06 2kj1 h GLU 79 Cb 1.10 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2kj1 h GLU 79 CO -0.09 -0.19 0.60 0.28 -2.18 0.00 0.00 179.01 177.43 2kj1 h VAL 80 N -0.80 0.68 -0.05 0.32 2.07 -0.23 0.73 116.25 118.97 2kj1 h VAL 80 Ca -0.05 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2kj1 h VAL 80 Cb 0.53 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2kj1 h VAL 80 CO 0.09 0.08 -0.21 0.25 0.02 0.00 0.00 177.57 177.79 2kj1 h LEU 81 N 0.43 0.27 -1.52 2.57 5.85 -1.01 -2.69 115.31 119.21 2kj1 h LEU 81 Ca 0.48 -0.65 0.14 0.00 0.84 0.00 0.00 57.88 58.70 2kj1 h LEU 81 Cb 1.16 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2kj1 h LEU 81 CO -0.19 0.87 0.71 0.28 -0.34 0.00 0.00 178.44 179.77 2kj1 h SER 82 N -0.31 0.00 0.08 1.25 0.02 0.20 0.07 113.55 114.85 2kj1 h SER 82 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kj1 h SER 82 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2kj1 h SER 82 CO 0.04 0.00 -0.04 0.44 -1.14 0.00 0.00 176.83 176.14 2kj1 h ASP 83 N 0.00 -0.09 0.00 3.07 5.19 -1.03 -3.18 116.42 120.38 2kj1 h ASP 83 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2kj1 h ASP 83 Cb 1.64 0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.18 2kj1 h ASP 83 CO -0.00 0.26 0.00 1.41 -3.12 0.00 0.00 179.24 177.79 2kj1 n HIS 84 N -4.09 0.00 -0.86 4.55 8.25 -0.14 -4.72 115.22 118.21 2kj1 n HIS 84 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2kj1 n HIS 84 Cb 0.04 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.88 0.00 -1.43 1.59 3.06 -0.33 -4.36 119.36 117.02 2kj1 n ILE 85 Ca 0.00 -0.26 -0.11 0.00 -2.50 0.00 0.00 62.75 59.88 2kj1 n ILE 85 Cb 0.00 -0.32 -0.09 0.00 0.54 0.00 0.00 39.64 39.77 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 -2.50 0.00 0.00 176.55 174.60 2kj1 n VAL 86 N -3.47 0.00 -3.99 9.51 3.14 -1.26 -4.33 118.33 117.92 2kj1 n VAL 86 Ca 0.01 -0.20 0.02 0.00 -2.96 0.00 0.00 64.34 61.21 2kj1 n VAL 86 Cb 0.61 -1.41 0.01 0.00 -1.06 0.00 0.00 33.84 31.99 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 12.13 0.00 -0.49 1.55 2.07 -1.21 -4.77 121.20 130.48 2kj1 s ILE 87 Ca 0.65 -0.20 -0.09 0.00 -1.41 0.00 0.00 60.65 59.60 2kj1 s ILE 87 Cb -0.08 -2.97 0.01 0.00 0.13 0.00 0.00 42.46 39.55 2kj1 s ILE 87 CO 0.15 0.00 0.57 1.21 -1.91 0.00 0.00 174.94 174.95 2kj1 n GLU 88 N -0.90 -1.76 0.00 3.50 2.13 -1.26 -3.02 120.64 119.33 2kj1 n GLU 88 Ca 0.04 1.73 0.00 0.00 0.66 0.00 0.00 57.16 59.59 2kj1 n GLU 88 Cb 0.59 -5.25 0.00 0.00 0.27 0.00 0.00 31.44 27.04 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 -0.85 0.00 2.70 8.31 0.00 -1.26 -4.71 105.19 109.39 2kj1 n GLY 89 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2kj1 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kj1 s LEU 90 N 0.00 2.57 -0.42 0.99 2.96 -1.17 -5.06 118.68 118.56 2kj1 s LEU 90 Ca 0.00 -2.49 -0.28 0.00 -0.22 0.00 0.00 54.13 51.14 2kj1 s LEU 90 Cb 0.00 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 2kj1 s LEU 90 CO 0.00 -0.29 1.88 -0.44 -1.32 0.00 0.00 176.35 176.18 2kj1 s SER 91 N 0.53 5.58 0.20 3.68 0.01 -1.26 -3.28 113.70 119.16 2kj1 s SER 91 Ca 0.17 1.02 -0.13 0.00 1.31 0.00 0.00 55.95 58.32 2kj1 s SER 91 Cb -0.24 -2.52 0.23 0.00 0.21 0.00 0.00 66.02 63.70 2kj1 s SER 91 CO -0.02 -2.01 1.66 0.00 0.41 0.00 0.00 173.24 173.28 2kj1 h ALA 92 N 14.08 0.49 -2.48 1.44 0.00 -1.76 -0.16 119.26 130.87 2kj1 h ALA 92 Ca -0.31 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kj1 h ALA 92 Cb 1.18 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kj1 h ALA 92 CO 1.09 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 180.32 2kj1 n GLU 93 N -5.31 0.00 -0.37 0.00 1.02 -1.26 0.10 120.64 114.82 2kj1 n GLU 93 Ca 0.07 0.23 0.03 0.00 -0.02 0.00 0.00 57.16 57.46 2kj1 n GLU 93 Cb 0.31 -1.09 0.09 0.00 -0.02 0.00 0.00 31.44 30.74 2kj1 n GLU 93 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kj1 h GLU 94 N 0.00 -0.00 0.17 3.49 5.08 -1.95 0.50 114.58 121.87 2kj1 h GLU 94 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kj1 h GLU 94 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kj1 h GLU 94 CO 0.00 -0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.75 2kj1 h ILE 95 N -0.00 0.90 -0.98 3.13 5.03 -0.94 -2.79 117.51 121.85 2kj1 h ILE 95 Ca 0.42 -0.30 0.16 0.00 -0.12 0.00 0.00 64.86 65.02 2kj1 h ILE 95 Cb 0.67 1.08 -0.17 0.00 -3.03 0.00 0.00 36.82 35.37 2kj1 h ILE 95 CO -1.01 0.07 -0.34 -0.38 -0.68 0.00 0.00 178.15 175.80 2kj1 n ILE 96 N -5.12 -0.49 0.27 -0.67 5.41 0.28 0.25 119.36 119.29 2kj1 n ILE 96 Ca -0.09 2.29 -0.18 0.00 1.00 0.00 0.00 62.75 65.78 2kj1 n ILE 96 Cb 0.17 -3.07 -0.09 0.00 -0.71 0.00 0.00 39.64 35.93 2kj1 n ILE 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2kj1 h LYS 97 N 0.00 -0.91 -0.75 0.38 3.64 -1.26 0.42 116.57 118.08 2kj1 h LYS 97 Ca 0.38 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.98 2kj1 h LYS 97 Cb 0.63 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 32.51 2kj1 h LYS 97 CO -0.99 -0.61 -0.16 0.52 -2.27 0.00 0.00 179.45 175.95 2kj1 h MET 98 N -0.94 0.01 0.00 1.90 2.86 -0.15 1.46 114.93 120.07 2kj1 h MET 98 Ca -0.05 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kj1 h MET 98 Cb 0.83 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2kj1 h MET 98 CO -0.09 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.30 2kj1 n GLY 99 N -1.48 -1.02 0.10 8.32 0.00 0.14 -2.61 105.19 108.64 2kj1 n GLY 99 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kj1 n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kj1 h GLU 100 N 0.00 0.00 -0.27 1.61 4.39 0.65 -3.06 114.58 117.89 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 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2kj1 h GLU 100 CO 0.00 0.35 -0.08 1.15 -1.16 0.00 0.00 179.01 179.28 2kj1 h THR 101 N 0.00 1.20 -1.95 1.13 2.02 -1.14 -3.35 112.91 110.81 2kj1 h THR 101 Ca -0.13 -0.86 -0.49 0.00 0.77 0.00 0.00 66.41 65.70 2kj1 h THR 101 Cb 1.55 1.08 -0.33 0.00 -1.74 0.00 0.00 68.15 68.71 2kj1 h THR 101 CO 0.05 0.28 -0.89 1.33 0.37 0.00 0.00 175.52 176.67 2kj1 n VAL 102 N -4.25 -0.87 0.00 3.16 0.24 -1.25 -5.16 118.33 110.20 2kj1 n VAL 102 Ca 0.01 -2.98 0.00 0.00 -2.04 0.00 0.00 64.34 59.33 2kj1 n VAL 102 Cb 0.28 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58