#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 -0.95 -3.61 1.61 -0.02 -1.26 -5.03 135.00 125.73 2kj1 n PRO 44 Ca 0.00 -0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.18 2kj1 n PRO 44 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.64 -0.11 0.65 2.55 3.84 -1.26 -4.98 114.94 113.99 2kj1 s ASN 45 Ca 0.51 0.05 0.03 0.00 0.21 0.00 0.00 52.86 53.67 2kj1 s ASN 45 Cb -0.09 0.11 0.13 0.00 -0.55 0.00 0.00 41.25 40.84 2kj1 s ASN 45 CO 0.68 -0.16 1.05 0.07 -2.79 0.00 0.00 177.10 175.95 2kj1 h LYS 46 N 2.07 0.00 0.00 0.43 2.10 -2.01 1.33 116.57 120.49 2kj1 h LYS 46 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2kj1 h LYS 46 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2kj1 h LYS 46 CO 0.23 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.61 2kj1 h GLU 47 N 0.00 0.00 0.08 0.07 4.39 -1.99 -2.57 114.58 114.56 2kj1 h GLU 47 Ca 0.05 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.52 2kj1 h GLU 47 Cb 2.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.72 2kj1 h GLU 47 CO -0.00 0.00 -1.20 1.15 -1.16 0.00 0.00 179.01 177.80 2kj1 h THR 48 N 0.00 1.11 -0.65 1.13 2.02 0.14 -2.58 112.91 114.07 2kj1 h THR 48 Ca 0.00 -2.36 -0.03 0.00 0.77 0.00 0.00 66.41 64.79 2kj1 h THR 48 Cb 0.70 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.80 2kj1 h THR 48 CO 0.00 0.62 0.27 0.16 0.37 0.00 0.00 175.52 176.94 2kj1 h ILE 49 N -0.51 1.22 -0.46 3.11 -0.00 -1.62 -2.33 117.51 116.92 2kj1 h ILE 49 Ca -0.27 -0.69 -0.06 0.00 -0.00 0.00 0.00 64.86 63.84 2kj1 h ILE 49 Cb 1.59 0.44 -0.02 0.00 -0.00 0.00 0.00 36.82 38.83 2kj1 h ILE 49 CO 0.01 0.28 0.07 -1.13 -0.00 0.00 0.00 178.15 177.37 2kj1 h ASN 50 N 0.93 0.73 -0.67 2.16 -1.24 -1.57 -0.68 115.58 115.25 2kj1 h ASN 50 Ca 0.22 -0.26 0.10 0.00 0.71 0.00 0.00 56.30 57.07 2kj1 h ASN 50 Cb 0.16 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.98 2kj1 h ASN 50 CO -0.02 0.81 0.45 -0.09 -1.29 0.00 0.00 177.43 177.28 2kj1 h ARG 51 N 0.62 0.49 -0.05 6.67 9.65 -1.01 0.58 114.38 131.34 2kj1 h ARG 51 Ca 0.14 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 2kj1 h ARG 51 Cb 0.39 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.87 2kj1 h ARG 51 CO 0.01 0.32 -0.41 1.49 2.80 0.00 0.00 179.97 184.18 2kj1 h GLU 52 N 0.51 0.37 0.00 0.20 4.81 -1.00 -2.86 114.58 116.60 2kj1 h GLU 52 Ca 0.31 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2kj1 h GLU 52 Cb 0.54 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2kj1 h GLU 52 CO -0.10 0.98 -0.29 0.28 -0.73 0.00 0.00 179.01 179.15 2kj1 h VAL 53 N -0.14 0.75 0.55 0.32 2.07 -0.13 -1.85 116.25 117.82 2kj1 h VAL 53 Ca -0.04 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 2kj1 h VAL 53 Cb 1.09 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2kj1 h VAL 53 CO 0.08 0.29 -0.26 -1.28 0.02 0.00 0.00 177.57 176.42 2kj1 h SER 54 N 0.00 -0.62 -0.60 0.57 0.87 0.13 -2.83 113.55 111.07 2kj1 h SER 54 Ca -0.00 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2kj1 h SER 54 Cb 0.76 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 2kj1 h SER 54 CO 0.04 -0.22 0.40 0.40 -0.53 0.00 0.00 176.83 176.92 2kj1 h ILE 55 N -1.16 1.01 -0.50 2.23 2.04 -1.53 -1.88 117.51 117.73 2kj1 h ILE 55 Ca -0.07 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.66 2kj1 h ILE 55 Cb 0.59 0.36 -0.10 0.00 -0.74 0.00 0.00 36.82 36.93 2kj1 h ILE 55 CO 0.12 0.11 -0.39 0.25 0.00 0.00 0.00 178.15 178.24 2kj1 h LEU 56 N 0.60 -1.33 -0.23 1.44 7.12 -1.21 0.66 115.31 122.36 2kj1 h LEU 56 Ca 0.25 0.22 0.05 0.00 0.13 0.00 0.00 57.88 58.53 2kj1 h LEU 56 Cb 0.24 0.61 -0.04 0.00 -0.53 0.00 0.00 40.66 40.93 2kj1 h LEU 56 CO -0.07 -0.34 -0.05 -0.09 -0.13 0.00 0.00 178.44 177.76 2kj1 h ARG 57 N -0.25 0.00 0.11 1.25 2.43 -1.10 -1.41 114.38 115.42 2kj1 h ARG 57 Ca 0.18 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2kj1 h ARG 57 Cb 0.56 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2kj1 h ARG 57 CO -0.63 0.00 -0.36 1.25 -1.51 0.00 0.00 179.97 178.72 2kj1 h HIS 58 N 0.01 -1.01 -0.63 2.20 2.76 -0.56 -1.90 115.15 116.01 2kj1 h HIS 58 Ca 0.11 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.43 2kj1 h HIS 58 Cb 0.17 0.43 -0.12 0.00 1.55 0.00 0.00 27.41 29.43 2kj1 h HIS 58 CO -0.23 -0.47 -0.23 0.77 -1.30 0.00 0.00 177.93 176.47 2kj1 h SER 59 N -0.59 -0.82 -0.61 3.26 0.02 0.64 0.29 113.55 115.73 2kj1 h SER 59 Ca 0.03 0.21 0.12 0.00 -0.84 0.00 0.00 61.79 61.31 2kj1 h SER 59 Cb 0.62 0.47 -0.11 0.00 0.14 0.00 0.00 62.40 63.52 2kj1 h SER 59 CO -0.22 -0.26 -0.13 0.22 -1.14 0.00 0.00 176.83 175.30 2kj1 h TYR 60 N -0.07 -0.28 -0.50 3.45 3.20 -0.51 -0.85 116.97 121.42 2kj1 h TYR 60 Ca 0.29 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.26 2kj1 h TYR 60 Cb 0.52 0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 2kj1 h TYR 60 CO -0.57 -0.25 -0.50 0.37 -1.64 0.00 0.00 178.16 175.57 2kj1 h GLN 61 N 0.02 -0.25 -0.78 1.82 4.15 0.20 0.25 115.11 120.52 2kj1 h GLN 61 Ca 0.30 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.91 2kj1 h GLN 61 Cb 0.46 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 28.07 2kj1 h GLN 61 CO -0.62 -0.16 -0.03 0.87 -1.93 0.00 0.00 178.83 176.96 2kj1 h LYS 62 N -0.26 0.07 0.10 1.69 1.57 -0.90 -0.71 116.57 118.14 2kj1 h LYS 62 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kj1 h LYS 62 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2kj1 h LYS 62 CO -0.61 0.05 -0.20 0.93 -0.57 0.00 0.00 179.45 179.06 2kj1 h GLU 63 N 0.08 -0.31 -0.41 3.15 5.08 -0.06 0.14 114.58 122.24 2kj1 h GLU 63 Ca 0.42 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.89 2kj1 h GLU 63 Cb 0.74 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 2kj1 h GLU 63 CO -0.71 -0.21 -0.23 0.97 -1.00 0.00 0.00 179.01 177.84 2kj1 h ILE 64 N -0.32 0.36 0.00 3.13 2.10 -0.76 1.81 117.51 123.84 2kj1 h ILE 64 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.93 2kj1 h ILE 64 Cb 0.30 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 2kj1 h ILE 64 CO -0.08 0.00 0.09 0.00 -1.08 0.00 0.00 178.15 177.09 2kj1 n GLN 65 N -5.39 0.07 -0.03 2.19 6.02 -0.33 -0.92 117.38 118.99 2kj1 n GLN 65 Ca 0.02 0.53 -0.16 0.00 -0.01 0.00 0.00 57.00 57.38 2kj1 n GLN 65 Cb 0.30 -1.82 -0.13 0.00 1.02 0.00 0.00 30.24 29.62 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 1.71 -0.02 -0.46 -1.58 0.00 0.56 -2.87 119.26 116.60 2kj1 h ALA 66 Ca 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 54.91 54.48 2kj1 h ALA 66 Cb 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kj1 h ALA 66 CO 0.00 0.13 0.33 -0.22 0.00 0.00 0.00 179.25 179.48 2kj1 h LYS 67 N -0.72 0.07 0.74 0.00 3.64 -0.53 0.41 116.57 120.19 2kj1 h LYS 67 Ca -0.05 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2kj1 h LYS 67 Cb 1.19 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2kj1 h LYS 67 CO 0.05 0.05 -0.36 0.93 -2.27 0.00 0.00 179.45 177.86 2kj1 h GLU 68 N 0.07 -0.96 -0.04 1.90 4.39 -1.46 0.41 114.58 118.90 2kj1 h GLU 68 Ca 0.22 0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.99 2kj1 h GLU 68 Cb 0.77 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2kj1 h GLU 68 CO -0.02 -0.64 0.03 1.15 -1.16 0.00 0.00 179.01 178.37 2kj1 h THR 69 N -1.16 0.96 0.61 1.13 2.02 -1.11 -2.42 112.91 112.94 2kj1 h THR 69 Ca -0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2kj1 h THR 69 Cb 0.77 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2kj1 h THR 69 CO 0.17 0.00 -0.29 -0.03 0.37 0.00 0.00 175.52 175.74 2kj1 h MET 70 N 0.00 -0.79 -0.64 6.66 -1.53 0.12 -2.50 114.93 116.25 2kj1 h MET 70 Ca 0.02 0.05 0.19 0.00 -3.44 0.00 0.00 59.70 56.52 2kj1 h MET 70 Cb 0.07 0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.27 2kj1 h MET 70 CO -0.00 -0.52 0.78 -0.22 0.14 0.00 0.00 176.91 177.09 2kj1 h LYS 71 N -1.22 0.00 -0.03 0.39 3.64 0.13 0.57 116.57 120.06 2kj1 h LYS 71 Ca -0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2kj1 h LYS 71 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2kj1 h LYS 71 CO 0.14 0.00 -0.07 1.49 -2.27 0.00 0.00 179.45 178.74 2kj1 h GLU 72 N 0.00 0.10 -0.81 1.90 4.81 -1.09 -2.59 114.58 116.91 2kj1 h GLU 72 Ca 0.31 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.60 2kj1 h GLU 72 Cb 1.87 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 31.17 2kj1 h GLU 72 CO -0.00 0.66 0.41 0.28 -0.73 0.00 0.00 179.01 179.63 2kj1 h VAL 73 N -0.45 0.76 0.67 0.32 2.07 0.58 -2.08 116.25 118.11 2kj1 h VAL 73 Ca -0.00 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2kj1 h VAL 73 Cb 0.66 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2kj1 h VAL 73 CO 0.02 0.11 -0.32 -0.07 0.02 0.00 0.00 177.57 177.33 2kj1 h LEU 74 N 0.61 -0.76 -1.17 2.57 3.38 -1.47 0.15 115.31 118.63 2kj1 h LEU 74 Ca 0.43 0.03 0.40 0.00 0.09 0.00 0.00 57.88 58.82 2kj1 h LEU 74 Cb 0.56 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 2kj1 h LEU 74 CO -0.34 -0.43 0.68 0.28 0.09 0.00 0.00 178.44 178.72 2kj1 h SER 75 N -1.12 0.34 0.58 -0.43 0.02 -1.21 1.00 113.55 112.72 2kj1 h SER 75 Ca -0.09 0.19 -0.28 0.00 -0.84 0.00 0.00 61.79 60.76 2kj1 h SER 75 Cb 0.69 0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.40 2kj1 h SER 75 CO 0.15 -0.25 -1.30 0.44 -1.14 0.00 0.00 176.83 174.73 2kj1 h ASP 76 N 0.13 0.46 0.65 3.07 3.32 -1.24 -2.61 116.42 120.20 2kj1 h ASP 76 Ca 0.80 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2kj1 h ASP 76 Cb 2.22 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 41.63 2kj1 h ASP 76 CO -0.58 1.40 -0.31 -1.13 -1.72 0.00 0.00 179.24 176.90 2kj1 h ASN 77 N 0.08 -0.74 -0.40 6.45 -0.73 0.38 -2.71 115.58 117.91 2kj1 h ASN 77 Ca -0.16 -0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.07 2kj1 h ASN 77 Cb 2.00 0.19 -0.06 0.00 0.27 0.00 0.00 38.32 40.72 2kj1 h ASN 77 CO 0.21 -0.38 0.04 0.24 -0.37 0.00 0.00 177.43 177.17 2kj1 h MET 78 N -1.14 0.15 -0.73 6.67 2.86 -0.75 -1.73 114.93 120.25 2kj1 h MET 78 Ca -0.09 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 2kj1 h MET 78 Cb 0.70 -0.03 -0.13 0.00 0.06 0.00 0.00 31.60 32.20 2kj1 h MET 78 CO 0.15 0.10 -0.08 1.49 1.06 0.00 0.00 176.91 179.63 2kj1 h GLU 79 N 0.15 0.05 -0.64 1.72 4.81 -1.44 0.60 114.58 119.84 2kj1 h GLU 79 Ca 0.20 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2kj1 h GLU 79 Cb 0.26 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2kj1 h GLU 79 CO -0.30 0.03 0.40 0.28 -0.73 0.00 0.00 179.01 178.70 2kj1 h VAL 80 N 0.05 1.10 0.16 0.32 2.07 -0.99 0.30 116.25 119.26 2kj1 h VAL 80 Ca 0.38 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2kj1 h VAL 80 Cb 0.63 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2kj1 h VAL 80 CO -0.69 0.15 -0.08 0.25 0.02 0.00 0.00 177.57 177.22 2kj1 h LEU 81 N 0.80 -0.18 -0.92 2.57 6.46 -0.16 -2.01 115.31 121.87 2kj1 h LEU 81 Ca 0.25 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2kj1 h LEU 81 Cb -0.01 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2kj1 h LEU 81 CO -0.09 0.11 0.00 -1.20 -0.62 0.00 0.00 178.44 176.64 2kj1 n SER 82 N -5.06 0.45 0.08 1.25 7.64 0.17 -1.39 113.62 116.77 2kj1 n SER 82 Ca -0.09 0.68 -0.04 0.00 1.01 0.00 0.00 58.87 60.43 2kj1 n SER 82 Cb 0.20 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 2kj1 n SER 82 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2kj1 h ASP 83 N 0.00 -0.20 0.68 6.43 3.32 0.35 -3.35 116.42 123.65 2kj1 h ASP 83 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2kj1 h ASP 83 Cb 0.10 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2kj1 h ASP 83 CO 0.00 -0.03 -0.44 0.45 -1.72 0.00 0.00 179.24 177.51 2kj1 h HIS 84 N -0.48 -1.16 -2.95 4.55 3.86 -1.38 -3.48 115.15 114.10 2kj1 h HIS 84 Ca -0.02 -0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.41 2kj1 h HIS 84 Cb 0.19 0.42 -0.13 0.00 1.06 0.00 0.00 27.41 28.94 2kj1 h HIS 84 CO 0.06 -0.65 -0.94 1.51 0.86 0.00 0.00 177.93 178.77 2kj1 n ILE 85 N -5.57 -0.88 -1.92 2.45 3.06 -0.49 -4.61 119.36 111.40 2kj1 n ILE 85 Ca -0.14 0.76 -0.42 0.00 -2.50 0.00 0.00 62.75 60.46 2kj1 n ILE 85 Cb 0.45 -1.16 -0.03 0.00 0.54 0.00 0.00 39.64 39.44 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2kj1 s VAL 86 N -4.60 2.77 -0.05 9.51 0.11 -1.26 -4.03 120.40 122.85 2kj1 s VAL 86 Ca 0.00 0.45 0.05 0.00 -2.93 0.00 0.00 61.98 59.54 2kj1 s VAL 86 Cb 0.00 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 31.56 2kj1 s VAL 86 CO 0.00 0.02 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.97 2kj1 s ILE 87 N 1.75 1.58 0.19 7.04 1.01 -0.59 -4.78 121.20 127.41 2kj1 s ILE 87 Ca 0.72 -0.80 -0.33 0.00 0.00 0.00 0.00 60.65 60.24 2kj1 s ILE 87 Cb -0.42 -1.36 -0.14 0.00 0.01 0.00 0.00 42.46 40.55 2kj1 s ILE 87 CO 0.32 0.45 1.46 -0.62 0.00 0.00 0.00 174.94 176.55 2kj1 n GLU 88 N 3.11 1.98 0.00 2.79 1.02 -1.26 0.15 120.64 128.44 2kj1 n GLU 88 Ca -0.18 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2kj1 n GLU 88 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kj1 n GLY 89 N 2.69 2.05 2.39 0.62 0.00 -1.26 -4.64 105.19 107.04 2kj1 n GLY 89 Ca 0.14 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 3.04 -4.64 0.99 -0.00 0.12 -5.05 117.00 111.46 2kj1 n LEU 90 Ca 0.00 -5.30 -0.43 0.00 -0.00 0.00 0.00 56.01 50.28 2kj1 n LEU 90 Cb 0.00 -0.39 -0.02 0.00 -0.00 0.00 0.00 43.42 43.01 2kj1 n LEU 90 CO 0.00 2.07 1.07 -0.55 -0.00 0.00 0.00 177.39 179.98 2kj1 s SER 91 N -2.25 6.80 0.59 1.96 0.15 0.41 -1.53 113.70 119.82 2kj1 s SER 91 Ca 0.39 1.25 0.29 0.00 0.70 0.00 0.00 55.95 58.58 2kj1 s SER 91 Cb 0.16 -2.54 1.44 0.00 -1.71 0.00 0.00 66.02 63.37 2kj1 s SER 91 CO -0.03 -0.96 1.85 0.00 1.20 0.00 0.00 173.24 175.30 2kj1 h ALA 92 N 8.73 2.26 0.02 5.45 0.00 -1.82 -1.68 119.26 132.21 2kj1 h ALA 92 Ca -0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kj1 h ALA 92 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kj1 h ALA 92 CO 1.02 -0.81 -0.01 1.49 0.00 0.00 0.00 179.25 180.95 2kj1 h GLU 93 N 0.00 -0.02 -0.96 0.00 4.22 -1.91 -2.76 114.58 113.15 2kj1 h GLU 93 Ca 0.24 0.00 0.25 0.00 0.08 0.00 0.00 59.36 59.94 2kj1 h GLU 93 Cb 1.33 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.41 2kj1 h GLU 93 CO -0.00 -0.02 0.02 0.93 -2.18 0.00 0.00 179.01 177.76 2kj1 h GLU 94 N -0.04 0.03 -0.11 1.92 5.08 -1.80 0.14 114.58 119.80 2kj1 h GLU 94 Ca -0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2kj1 h GLU 94 Cb 0.02 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2kj1 h GLU 94 CO 0.00 0.02 -0.30 0.82 -1.00 0.00 0.00 179.01 178.56 2kj1 h ILE 95 N 0.03 0.00 -0.98 3.13 1.08 -1.36 -0.86 117.51 118.54 2kj1 h ILE 95 Ca 0.57 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 65.23 2kj1 h ILE 95 Cb 1.14 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.71 2kj1 h ILE 95 CO -0.89 0.00 -0.27 0.40 -0.69 0.00 0.00 178.15 176.70 2kj1 h ILE 96 N -0.29 0.02 0.10 -0.67 2.04 -0.42 -0.49 117.51 117.80 2kj1 h ILE 96 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2kj1 h ILE 96 Cb 0.36 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2kj1 h ILE 96 CO -0.25 0.00 -0.29 0.50 0.00 0.00 0.00 178.15 178.11 2kj1 h LYS 97 N -0.00 -0.42 -0.79 2.37 3.64 -0.75 -1.16 116.57 119.45 2kj1 h LYS 97 Ca 0.45 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 60.07 2kj1 h LYS 97 Cb 0.69 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.46 2kj1 h LYS 97 CO -1.00 -0.28 -0.01 -1.33 -2.27 0.00 0.00 179.45 174.55 2kj1 n MET 98 N -4.10 -0.06 0.23 1.90 2.81 -0.22 0.30 117.12 117.99 2kj1 n MET 98 Ca -0.05 1.20 0.14 0.00 -1.81 0.00 0.00 57.70 57.18 2kj1 n MET 98 Cb 0.23 -1.89 0.40 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.09 -3.00 103.07 104.01 2kj1 h GLY 99 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 2kj1 h GLY 99 CO -0.76 0.00 -0.38 0.83 0.00 0.00 0.00 176.54 176.23 2kj1 h GLU 100 N 0.00 0.00 -0.46 4.80 5.08 0.58 -1.27 114.58 123.31 2kj1 h GLU 100 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2kj1 h GLU 100 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2kj1 h GLU 100 CO 0.00 0.38 -0.12 1.79 -1.00 0.00 0.00 179.01 180.06 2kj1 h THR 101 N 0.00 1.27 -1.41 1.13 1.35 -1.22 -3.39 112.91 110.65 2kj1 h THR 101 Ca -0.00 -1.25 -0.40 0.00 -0.55 0.00 0.00 66.41 64.21 2kj1 h THR 101 Cb 1.09 1.13 -0.28 0.00 -1.73 0.00 0.00 68.15 68.36 2kj1 h THR 101 CO 0.05 0.43 -0.80 1.33 -0.25 0.00 0.00 175.52 176.28 2kj1 n VAL 102 N -4.24 -0.52 0.00 6.82 0.24 -1.20 -5.15 118.33 114.27 2kj1 n VAL 102 Ca -0.00 -2.62 0.00 0.00 -2.04 0.00 0.00 64.34 59.68 2kj1 n VAL 102 Cb 0.39 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58