#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 0.24 -3.73 1.61 -0.02 -1.26 -5.02 135.00 126.83 2kj1 n PRO 44 Ca 0.00 0.10 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 2kj1 n PRO 44 Cb 0.00 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.25 -0.09 0.64 2.55 3.84 -1.26 -5.00 114.94 114.37 2kj1 s ASN 45 Ca 0.61 0.43 0.18 0.00 0.21 0.00 0.00 52.86 54.29 2kj1 s ASN 45 Cb -0.39 0.33 0.82 0.00 -0.55 0.00 0.00 41.25 41.46 2kj1 s ASN 45 CO 0.62 -0.17 1.41 0.11 -2.79 0.00 0.00 177.10 176.28 2kj1 h LYS 46 N 7.38 0.00 0.00 0.43 1.57 -2.01 1.42 116.57 125.36 2kj1 h LYS 46 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2kj1 h LYS 46 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2kj1 h LYS 46 CO 0.36 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 177.33 2kj1 n GLU 47 N -2.96 0.22 -0.02 3.15 2.13 -1.26 -2.40 120.64 119.50 2kj1 n GLU 47 Ca 0.07 0.31 -0.22 0.00 0.66 0.00 0.00 57.16 57.98 2kj1 n GLU 47 Cb 0.96 -1.83 -0.13 0.00 0.27 0.00 0.00 31.44 30.71 2kj1 n GLU 47 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2kj1 h THR 48 N 0.00 0.77 -0.61 6.31 2.02 0.16 -2.68 112.91 118.88 2kj1 h THR 48 Ca 0.00 -2.31 -0.06 0.00 0.77 0.00 0.00 66.41 64.82 2kj1 h THR 48 Cb 0.56 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 2kj1 h THR 48 CO 0.00 0.70 0.15 0.16 0.37 0.00 0.00 175.52 176.90 2kj1 h ILE 49 N -0.30 1.24 -0.23 3.11 -0.00 -1.58 -1.33 117.51 118.42 2kj1 h ILE 49 Ca -0.38 -0.88 -0.02 0.00 -0.00 0.00 0.00 64.86 63.57 2kj1 h ILE 49 Cb 1.78 0.61 -0.01 0.00 -0.00 0.00 0.00 36.82 39.20 2kj1 h ILE 49 CO -0.00 0.33 0.05 -1.13 -0.00 0.00 0.00 178.15 177.40 2kj1 h ASN 50 N 0.91 0.36 -0.67 2.16 -1.24 -1.61 0.64 115.58 116.14 2kj1 h ASN 50 Ca 0.20 -0.24 0.09 0.00 0.71 0.00 0.00 56.30 57.05 2kj1 h ASN 50 Cb 0.32 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 2kj1 h ASN 50 CO -0.00 0.51 0.44 0.03 -1.29 0.00 0.00 177.43 177.12 2kj1 h ARG 51 N 0.20 0.56 -0.10 6.67 2.47 -1.10 0.45 114.38 123.52 2kj1 h ARG 51 Ca 0.07 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2kj1 h ARG 51 Cb 0.30 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2kj1 h ARG 51 CO 0.00 0.37 -0.08 1.49 0.56 0.00 0.00 179.97 182.31 2kj1 h GLU 52 N 0.57 0.23 0.00 0.04 4.81 -0.50 -2.76 114.58 116.98 2kj1 h GLU 52 Ca 0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2kj1 h GLU 52 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2kj1 h GLU 52 CO -0.10 0.64 0.00 0.28 -0.73 0.00 0.00 179.01 179.10 2kj1 h VAL 53 N -0.16 0.00 0.41 0.32 2.07 0.23 -1.99 116.25 117.13 2kj1 h VAL 53 Ca 0.02 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2kj1 h VAL 53 Cb 0.59 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2kj1 h VAL 53 CO 0.02 0.00 -0.20 0.28 0.02 0.00 0.00 177.57 177.69 2kj1 h SER 54 N 0.00 -0.47 -0.91 0.57 0.02 0.11 -2.85 113.55 110.03 2kj1 h SER 54 Ca 0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2kj1 h SER 54 Cb 0.45 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 2kj1 h SER 54 CO 0.00 -0.08 0.60 0.40 -1.14 0.00 0.00 176.83 176.61 2kj1 h ILE 55 N -1.07 1.17 -0.64 3.27 2.04 -1.49 -2.46 117.51 118.33 2kj1 h ILE 55 Ca -0.06 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.48 2kj1 h ILE 55 Cb 0.42 -0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 36.31 2kj1 h ILE 55 CO 0.09 0.21 -0.52 0.25 0.00 0.00 0.00 178.15 178.18 2kj1 h LEU 56 N 1.16 -1.81 -0.44 1.44 7.12 -1.37 0.66 115.31 122.07 2kj1 h LEU 56 Ca 0.35 0.27 0.05 0.00 0.13 0.00 0.00 57.88 58.69 2kj1 h LEU 56 Cb -0.02 0.79 -0.05 0.00 -0.53 0.00 0.00 40.66 40.85 2kj1 h LEU 56 CO -0.10 -0.33 0.17 0.03 -0.13 0.00 0.00 178.44 178.07 2kj1 h ARG 57 N -0.23 0.34 0.12 1.25 2.47 -1.20 -2.47 114.38 114.67 2kj1 h ARG 57 Ca 0.14 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2kj1 h ARG 57 Cb 0.54 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2kj1 h ARG 57 CO -0.73 0.22 -0.17 1.25 0.56 0.00 0.00 179.97 181.10 2kj1 h HIS 58 N 0.35 -0.46 -0.76 3.04 2.76 -0.46 -2.41 115.15 117.21 2kj1 h HIS 58 Ca 0.21 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.54 2kj1 h HIS 58 Cb 0.19 0.19 -0.14 0.00 1.55 0.00 0.00 27.41 29.19 2kj1 h HIS 58 CO -0.14 -0.26 -0.17 0.77 -1.30 0.00 0.00 177.93 176.82 2kj1 h SER 59 N -0.35 -0.68 -0.09 3.26 0.02 0.61 0.11 113.55 116.44 2kj1 h SER 59 Ca 0.02 0.23 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2kj1 h SER 59 Cb 0.36 0.46 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 2kj1 h SER 59 CO -0.08 -0.25 -0.42 0.22 -1.14 0.00 0.00 176.83 175.17 2kj1 h TYR 60 N 0.01 -1.19 -0.01 3.45 3.20 -1.04 -1.11 116.97 120.28 2kj1 h TYR 60 Ca 0.37 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2kj1 h TYR 60 Cb 0.58 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kj1 h TYR 60 CO -0.59 -0.48 -0.01 1.96 -1.64 0.00 0.00 178.16 177.40 2kj1 h GLN 61 N -0.51 -0.01 -0.94 1.82 7.50 -0.55 -0.55 115.11 121.87 2kj1 h GLN 61 Ca 0.07 0.00 0.23 0.00 0.50 0.00 0.00 58.65 59.45 2kj1 h GLN 61 Cb 0.63 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 27.99 2kj1 h GLN 61 CO -0.37 -0.00 -0.05 -0.22 -1.50 0.00 0.00 178.83 176.69 2kj1 h LYS 62 N -0.01 0.03 0.04 1.46 1.63 -1.18 -0.97 116.57 117.57 2kj1 h LYS 62 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kj1 h LYS 62 Cb 0.01 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2kj1 h LYS 62 CO -0.01 0.02 -0.17 0.93 -3.45 0.00 0.00 179.45 176.76 2kj1 h GLU 63 N 0.03 -0.24 -0.23 1.90 4.39 0.19 0.28 114.58 120.90 2kj1 h GLU 63 Ca 0.53 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.30 2kj1 h GLU 63 Cb 0.99 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.63 2kj1 h GLU 63 CO -0.89 -0.16 -0.32 0.97 -1.16 0.00 0.00 179.01 177.45 2kj1 h ILE 64 N -0.25 0.26 0.00 3.13 2.10 -0.55 1.58 117.51 123.78 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 0.25 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 2kj1 h ILE 64 CO -0.09 0.00 0.18 0.00 -1.08 0.00 0.00 178.15 177.16 2kj1 n GLN 65 N -5.41 0.06 -0.07 2.19 6.02 -0.47 -0.68 117.38 119.01 2kj1 n GLN 65 Ca -0.02 0.48 -0.13 0.00 -0.01 0.00 0.00 57.00 57.32 2kj1 n GLN 65 Cb 0.33 -1.87 -0.12 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 1.42 -0.00 -0.90 -1.58 0.00 0.60 -2.80 119.26 116.00 2kj1 h ALA 66 Ca 0.00 -0.46 0.25 0.00 0.00 0.00 0.00 54.91 54.70 2kj1 h ALA 66 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2kj1 h ALA 66 CO 0.00 -0.00 0.64 -0.22 0.00 0.00 0.00 179.25 179.66 2kj1 h LYS 67 N -1.00 0.08 0.59 0.00 3.64 -0.38 0.25 116.57 119.76 2kj1 h LYS 67 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kj1 h LYS 67 Cb 0.91 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2kj1 h LYS 67 CO 0.00 0.06 -0.28 0.93 -2.27 0.00 0.00 179.45 177.88 2kj1 h GLU 68 N 0.09 -0.77 -0.92 1.90 5.08 -1.48 0.19 114.58 118.67 2kj1 h GLU 68 Ca 0.44 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.01 2kj1 h GLU 68 Cb 1.61 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.95 2kj1 h GLU 68 CO -0.05 -0.51 0.59 1.15 -1.00 0.00 0.00 179.01 179.19 2kj1 h THR 69 N -1.10 0.81 0.27 1.13 2.02 -0.91 -0.97 112.91 114.16 2kj1 h THR 69 Ca -0.08 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2kj1 h THR 69 Cb 0.61 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2kj1 h THR 69 CO 0.13 0.13 -0.13 -0.03 0.37 0.00 0.00 175.52 175.99 2kj1 h MET 70 N 0.69 -0.34 -0.81 6.66 -1.53 -0.45 -1.77 114.93 117.38 2kj1 h MET 70 Ca 0.47 0.02 0.23 0.00 -3.44 0.00 0.00 59.70 56.99 2kj1 h MET 70 Cb 0.78 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.87 2kj1 h MET 70 CO -0.23 -0.09 0.79 -0.22 0.14 0.00 0.00 176.91 177.30 2kj1 h LYS 71 N -0.56 0.00 0.06 0.39 3.64 0.73 0.20 116.57 121.03 2kj1 h LYS 71 Ca -0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kj1 h LYS 71 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2kj1 h LYS 71 CO 0.06 0.00 -0.03 1.49 -2.27 0.00 0.00 179.45 178.70 2kj1 h GLU 72 N 0.00 -0.07 -0.85 1.90 4.81 -0.72 -1.77 114.58 117.88 2kj1 h GLU 72 Ca 0.38 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.83 2kj1 h GLU 72 Cb 1.96 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 31.22 2kj1 h GLU 72 CO -0.00 0.52 0.21 0.28 -0.73 0.00 0.00 179.01 179.28 2kj1 h VAL 73 N -0.76 0.35 0.04 0.32 2.07 -0.23 0.32 116.25 118.37 2kj1 h VAL 73 Ca -0.01 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2kj1 h VAL 73 Cb 0.62 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2kj1 h VAL 73 CO 0.01 0.04 -0.02 -0.07 0.02 0.00 0.00 177.57 177.55 2kj1 h LEU 74 N 0.22 -0.05 -0.77 2.57 3.38 -1.51 -1.75 115.31 117.39 2kj1 h LEU 74 Ca 0.52 -0.46 0.18 0.00 0.09 0.00 0.00 57.88 58.21 2kj1 h LEU 74 Cb 1.00 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 2kj1 h LEU 74 CO -0.63 0.44 0.05 -1.28 0.09 0.00 0.00 178.44 177.12 2kj1 h SER 75 N -0.56 -0.27 0.59 -0.43 0.87 -0.15 1.02 113.55 114.63 2kj1 h SER 75 Ca -0.01 0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 2kj1 h SER 75 Cb 0.50 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2kj1 h SER 75 CO 0.01 -0.17 -0.39 0.44 -0.53 0.00 0.00 176.83 176.19 2kj1 h ASP 76 N 0.13 0.00 0.25 6.23 3.32 -0.99 -1.99 116.42 123.38 2kj1 h ASP 76 Ca 0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 2kj1 h ASP 76 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2kj1 h ASP 76 CO -0.65 0.39 -0.12 -1.13 -1.72 0.00 0.00 179.24 176.01 2kj1 h ASN 77 N 0.00 -0.29 -0.34 6.45 -0.73 0.17 -2.77 115.58 118.08 2kj1 h ASN 77 Ca -0.00 -0.13 0.10 0.00 1.87 0.00 0.00 56.30 58.13 2kj1 h ASN 77 Cb 0.79 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 2kj1 h ASN 77 CO 0.05 0.21 0.35 0.24 -0.37 0.00 0.00 177.43 177.91 2kj1 h MET 78 N -1.03 0.00 0.38 6.67 2.86 -0.12 -1.19 114.93 122.49 2kj1 h MET 78 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2kj1 h MET 78 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2kj1 h MET 78 CO 0.06 0.00 -0.18 1.49 1.06 0.00 0.00 176.91 179.34 2kj1 h GLU 79 N 0.00 -0.49 -0.47 1.72 4.22 -1.28 0.58 114.58 118.86 2kj1 h GLU 79 Ca 0.16 0.03 0.14 0.00 0.08 0.00 0.00 59.36 59.77 2kj1 h GLU 79 Cb 0.85 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2kj1 h GLU 79 CO -0.00 -0.18 0.39 0.28 -2.18 0.00 0.00 179.01 177.32 2kj1 h VAL 80 N -0.83 0.58 0.02 0.32 2.07 -0.94 -1.64 116.25 115.83 2kj1 h VAL 80 Ca -0.05 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 2kj1 h VAL 80 Cb 0.53 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2kj1 h VAL 80 CO 0.08 0.00 -0.71 0.25 0.02 0.00 0.00 177.57 177.21 2kj1 h LEU 81 N 0.00 0.07 -1.37 2.57 5.85 -1.12 -2.90 115.31 118.42 2kj1 h LEU 81 Ca 0.22 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2kj1 h LEU 81 Cb 1.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2kj1 h LEU 81 CO -0.00 1.29 0.35 0.28 -0.34 0.00 0.00 178.44 180.02 2kj1 h SER 82 N -0.88 0.00 0.00 1.25 0.02 0.10 0.39 113.55 114.44 2kj1 h SER 82 Ca -0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2kj1 h SER 82 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2kj1 h SER 82 CO -0.07 0.00 -0.61 0.47 -1.14 0.00 0.00 176.83 175.48 2kj1 n ASP 83 N -2.47 1.81 -0.40 3.07 8.00 -0.73 -4.10 116.55 121.72 2kj1 n ASP 83 Ca -0.01 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2kj1 n ASP 83 Cb 0.38 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2kj1 n ASP 83 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kj1 n HIS 84 N -4.59 0.00 -0.91 1.24 8.25 -0.54 -4.91 115.22 113.76 2kj1 n HIS 84 Ca -0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.02 2kj1 n HIS 84 Cb 0.32 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.41 2kj1 n HIS 84 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kj1 n ILE 85 N -0.04 0.00 -1.65 1.59 -6.64 0.13 -4.60 119.36 108.14 2kj1 n ILE 85 Ca 0.00 -0.05 -0.57 0.00 -1.77 0.00 0.00 62.75 60.36 2kj1 n ILE 85 Cb 0.18 -0.11 -0.07 0.00 -1.44 0.00 0.00 39.64 38.19 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 2kj1 n VAL 86 N -3.62 0.14 -4.61 7.28 3.14 -1.26 -4.51 118.33 114.88 2kj1 n VAL 86 Ca -0.01 -0.02 -0.22 0.00 -2.96 0.00 0.00 64.34 61.12 2kj1 n VAL 86 Cb 0.64 -0.88 -0.15 0.00 -1.06 0.00 0.00 33.84 32.39 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 2.10 1.08 0.13 1.55 2.07 -1.19 -4.79 121.20 122.14 2kj1 s ILE 87 Ca 0.94 -0.56 -0.33 0.00 -1.41 0.00 0.00 60.65 59.29 2kj1 s ILE 87 Cb -1.10 -0.91 -0.12 0.00 0.13 0.00 0.00 42.46 40.45 2kj1 s ILE 87 CO 0.61 0.31 1.72 1.21 -1.91 0.00 0.00 174.94 176.87 2kj1 n GLU 88 N 2.94 2.46 0.00 3.50 2.13 -1.26 0.28 120.64 130.69 2kj1 n GLU 88 Ca -0.16 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.55 2kj1 n GLU 88 Cb 0.55 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.54 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 3.88 2.87 2.61 8.31 0.00 -1.26 -4.67 105.19 116.93 2kj1 n GLY 89 Ca 0.18 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 3.13 -4.59 0.99 -0.00 0.52 -4.99 117.00 112.06 2kj1 n LEU 90 Ca 0.00 -5.14 -0.45 0.00 -0.00 0.00 0.00 56.01 50.42 2kj1 n LEU 90 Cb 0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 43.42 43.32 2kj1 n LEU 90 CO 0.00 2.21 1.79 -1.20 -0.00 0.00 0.00 177.39 180.18 2kj1 n SER 91 N -0.13 3.23 -0.33 1.96 7.64 0.79 -3.18 113.62 123.60 2kj1 n SER 91 Ca 0.28 0.39 0.23 0.00 1.01 0.00 0.00 58.87 60.78 2kj1 n SER 91 Cb 0.57 -1.49 0.46 0.00 -1.01 0.00 0.00 64.21 62.74 2kj1 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kj1 h ALA 92 N 13.61 1.92 0.49 -0.43 0.00 -1.80 -0.75 119.26 132.29 2kj1 h ALA 92 Ca -0.41 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2kj1 h ALA 92 Cb 1.26 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2kj1 h ALA 92 CO 0.97 -0.53 -0.24 0.93 0.00 0.00 0.00 179.25 180.38 2kj1 h GLU 93 N 0.35 -0.63 -0.91 0.00 5.08 -1.96 0.07 114.58 116.57 2kj1 h GLU 93 Ca 0.72 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 59.24 2kj1 h GLU 93 Cb 1.60 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.86 2kj1 h GLU 93 CO -0.59 -0.42 -0.46 0.93 -1.00 0.00 0.00 179.01 177.46 2kj1 h GLU 94 N -0.70 -0.05 0.28 2.33 5.08 -1.54 -0.04 114.58 119.94 2kj1 h GLU 94 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2kj1 h GLU 94 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kj1 h GLU 94 CO 0.11 -0.03 -0.13 0.97 -1.00 0.00 0.00 179.01 178.93 2kj1 h ILE 95 N -0.05 0.73 -0.96 3.13 2.10 -1.34 -2.66 117.51 118.46 2kj1 h ILE 95 Ca 0.25 -0.02 0.16 0.00 1.08 0.00 0.00 64.86 66.34 2kj1 h ILE 95 Cb 0.53 0.74 -0.16 0.00 -1.09 0.00 0.00 36.82 36.84 2kj1 h ILE 95 CO -0.91 0.00 -0.35 0.40 -1.08 0.00 0.00 178.15 176.22 2kj1 h ILE 96 N -0.38 0.02 0.59 2.19 2.04 0.86 0.78 117.51 123.61 2kj1 h ILE 96 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2kj1 h ILE 96 Cb 0.29 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2kj1 h ILE 96 CO 0.06 0.00 -0.50 0.11 0.00 0.00 0.00 178.15 177.83 2kj1 h LYS 97 N -0.01 -1.02 -0.96 2.37 1.57 -1.03 -0.84 116.57 116.64 2kj1 h LYS 97 Ca 0.37 0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.41 2kj1 h LYS 97 Cb 0.63 0.23 -0.18 0.00 0.08 0.00 0.00 32.23 32.99 2kj1 h LYS 97 CO -0.97 -0.68 -0.25 -1.33 -0.57 0.00 0.00 179.45 175.65 2kj1 n MET 98 N -5.58 -0.09 0.07 3.15 2.81 0.16 0.26 117.12 117.90 2kj1 n MET 98 Ca -0.13 1.50 0.11 0.00 -1.81 0.00 0.00 57.70 57.38 2kj1 n MET 98 Cb 0.47 -2.24 0.45 0.00 -0.71 0.00 0.00 33.22 31.19 2kj1 n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kj1 n GLY 99 N -1.60 -1.37 0.16 3.03 0.00 -0.54 -2.71 105.19 102.15 2kj1 n GLY 99 Ca 0.15 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.64 1.61 4.39 0.51 -3.31 114.58 117.14 2kj1 h GLU 100 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kj1 h GLU 100 Cb 0.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2kj1 h GLU 100 CO 0.00 0.17 0.36 1.79 -1.16 0.00 0.00 179.01 180.16 2kj1 h THR 101 N 0.00 1.20 -2.40 1.13 1.35 -1.14 -3.39 112.91 109.66 2kj1 h THR 101 Ca -0.02 -0.51 -0.42 0.00 -0.55 0.00 0.00 66.41 64.91 2kj1 h THR 101 Cb 1.18 0.36 -0.36 0.00 -1.73 0.00 0.00 68.15 67.61 2kj1 h THR 101 CO 0.02 0.22 -0.71 0.68 -0.25 0.00 0.00 175.52 175.49 2kj1 s VAL 102 N -5.86 -0.24 -2.00 6.82 -7.23 -1.25 -5.16 120.40 105.48 2kj1 s VAL 102 Ca -0.13 -0.69 0.22 0.00 -1.81 0.00 0.00 61.98 59.57 2kj1 s VAL 102 Cb 0.14 -0.97 0.64 0.00 0.56 0.00 0.00 36.38 36.74 2kj1 s VAL 102 CO 0.78 -0.60 1.71 -0.11 -0.31 0.00 0.00 175.10 176.57