#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj1 s PRO 44 N 0.00 3.43 0.00 1.61 0.04 -1.26 -4.31 135.00 134.51 2kj1 s PRO 44 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2kj1 s PRO 44 Cb 0.00 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2kj1 s PRO 44 CO 0.00 -1.74 0.00 0.27 0.04 0.00 0.00 177.00 175.57 2kj1 n ASN 45 N 9.82 0.00 0.14 6.66 0.23 -1.26 -4.96 115.26 125.89 2kj1 n ASN 45 Ca 0.21 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.36 2kj1 n ASN 45 Cb 0.47 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.33 2kj1 n ASN 45 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2kj1 h LYS 46 N 0.00 0.00 -0.03 -3.83 6.56 -2.01 1.08 116.57 118.33 2kj1 h LYS 46 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 2kj1 h LYS 46 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2kj1 h LYS 46 CO 0.00 0.00 -0.70 1.49 -2.06 0.00 0.00 179.45 178.18 2kj1 h GLU 47 N 0.00 0.18 -0.21 3.15 4.81 -1.93 -2.54 114.58 118.04 2kj1 h GLU 47 Ca 0.17 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2kj1 h GLU 47 Cb 2.30 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.71 2kj1 h GLU 47 CO -0.00 0.81 -0.14 1.15 -0.73 0.00 0.00 179.01 180.10 2kj1 h THR 48 N 0.12 1.31 0.00 0.32 2.02 0.10 -0.98 112.91 115.81 2kj1 h THR 48 Ca -0.02 -1.25 -0.09 0.00 0.77 0.00 0.00 66.41 65.82 2kj1 h THR 48 Cb 1.25 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 2kj1 h THR 48 CO 0.11 0.38 -0.43 0.16 0.37 0.00 0.00 175.52 176.11 2kj1 h ILE 49 N 0.17 1.17 -0.40 3.11 -2.65 -1.64 -2.41 117.51 114.85 2kj1 h ILE 49 Ca 0.04 -1.54 -0.07 0.00 1.03 0.00 0.00 64.86 64.32 2kj1 h ILE 49 Cb 0.66 1.86 -0.02 0.00 -2.05 0.00 0.00 36.82 37.27 2kj1 h ILE 49 CO 0.04 0.42 -0.05 -1.13 0.03 0.00 0.00 178.15 177.46 2kj1 h ASN 50 N 0.00 0.65 -0.18 2.16 -1.24 -1.16 0.44 115.58 116.24 2kj1 h ASN 50 Ca -0.00 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 56.83 2kj1 h ASN 50 Cb 0.83 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 2kj1 h ASN 50 CO 0.06 0.75 0.04 0.03 -1.29 0.00 0.00 177.43 177.02 2kj1 h ARG 51 N 0.63 0.30 -0.38 6.67 2.47 -0.68 0.52 114.38 123.89 2kj1 h ARG 51 Ca 0.12 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 2kj1 h ARG 51 Cb 0.47 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2kj1 h ARG 51 CO 0.02 0.44 0.01 0.93 0.56 0.00 0.00 179.97 181.93 2kj1 h GLU 52 N 0.10 0.67 -0.04 0.04 5.08 -1.26 -2.00 114.58 117.17 2kj1 h GLU 52 Ca 0.06 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2kj1 h GLU 52 Cb 0.28 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kj1 h GLU 52 CO 0.00 0.77 -0.00 0.28 -1.00 0.00 0.00 179.01 179.06 2kj1 h VAL 53 N 0.50 1.27 -0.25 3.13 2.07 0.02 -0.73 116.25 122.25 2kj1 h VAL 53 Ca 0.11 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.86 2kj1 h VAL 53 Cb 0.46 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2kj1 h VAL 53 CO 0.02 0.22 0.03 -1.28 0.02 0.00 0.00 177.57 176.57 2kj1 h SER 54 N -0.25 -0.04 0.05 0.57 0.87 0.04 -0.51 113.55 114.28 2kj1 h SER 54 Ca 0.01 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2kj1 h SER 54 Cb 0.35 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2kj1 h SER 54 CO 0.00 0.01 -0.14 0.40 -0.53 0.00 0.00 176.83 176.57 2kj1 h ILE 55 N 0.11 1.18 -0.20 2.23 2.04 -1.36 -2.82 117.51 118.69 2kj1 h ILE 55 Ca 0.12 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.24 2kj1 h ILE 55 Cb 0.14 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2kj1 h ILE 55 CO -0.18 0.24 -0.39 0.25 0.00 0.00 0.00 178.15 178.07 2kj1 h LEU 56 N 0.20 -1.25 -0.71 1.44 7.12 0.48 0.43 115.31 123.01 2kj1 h LEU 56 Ca 0.04 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 2kj1 h LEU 56 Cb 0.38 0.53 -0.03 0.00 -0.53 0.00 0.00 40.66 41.00 2kj1 h LEU 56 CO 0.02 -0.40 0.44 0.03 -0.13 0.00 0.00 178.44 178.41 2kj1 h ARG 57 N -0.43 0.96 0.40 1.25 3.08 -1.26 -1.58 114.38 116.81 2kj1 h ARG 57 Ca 0.10 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2kj1 h ARG 57 Cb 0.60 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2kj1 h ARG 57 CO -0.43 0.68 -0.34 1.25 -1.07 0.00 0.00 179.97 180.06 2kj1 h HIS 58 N 0.97 -0.90 -0.78 3.04 2.76 -0.87 -2.00 115.15 117.36 2kj1 h HIS 58 Ca 0.26 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.55 2kj1 h HIS 58 Cb -0.05 0.34 -0.09 0.00 1.55 0.00 0.00 27.41 29.17 2kj1 h HIS 58 CO -0.01 -0.49 0.38 0.77 -1.30 0.00 0.00 177.93 177.28 2kj1 h SER 59 N -0.75 0.46 0.37 3.26 0.02 -0.01 -2.47 113.55 114.44 2kj1 h SER 59 Ca -0.03 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2kj1 h SER 59 Cb 0.65 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2kj1 h SER 59 CO -0.02 0.22 -0.42 0.22 -1.14 0.00 0.00 176.83 175.70 2kj1 h TYR 60 N 0.59 -1.16 -0.23 3.45 3.20 -0.79 -0.43 116.97 121.60 2kj1 h TYR 60 Ca 0.41 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.32 2kj1 h TYR 60 Cb 0.53 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 2kj1 h TYR 60 CO -0.11 -0.54 -0.21 0.37 -1.64 0.00 0.00 178.16 176.03 2kj1 h GLN 61 N -0.79 -0.08 -1.14 1.82 4.15 -0.94 0.69 115.11 118.81 2kj1 h GLN 61 Ca -0.05 0.01 0.33 0.00 0.77 0.00 0.00 58.65 59.71 2kj1 h GLN 61 Cb 0.70 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 2kj1 h GLN 61 CO -0.08 -0.05 0.80 -0.22 -1.93 0.00 0.00 178.83 177.36 2kj1 h LYS 62 N -0.08 0.07 0.35 1.69 3.64 -1.38 -1.83 116.57 119.03 2kj1 h LYS 62 Ca 0.04 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2kj1 h LYS 62 Cb 0.19 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2kj1 h LYS 62 CO -0.27 0.05 -0.17 1.49 -2.27 0.00 0.00 179.45 178.29 2kj1 h GLU 63 N 0.07 -0.45 -0.69 1.90 4.57 0.21 -0.97 114.58 119.23 2kj1 h GLU 63 Ca 0.56 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.92 2kj1 h GLU 63 Cb 2.09 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 30.66 2kj1 h GLU 63 CO -0.07 -0.30 -0.09 0.97 -1.18 0.00 0.00 179.01 178.34 2kj1 h ILE 64 N -0.70 0.35 -0.29 2.32 2.10 -0.59 0.37 117.51 121.06 2kj1 h ILE 64 Ca -0.05 -0.02 0.06 0.00 1.08 0.00 0.00 64.86 65.94 2kj1 h ILE 64 Cb 0.36 0.30 -0.06 0.00 -1.09 0.00 0.00 36.82 36.33 2kj1 h ILE 64 CO 0.08 0.01 -0.09 1.56 -1.08 0.00 0.00 178.15 178.63 2kj1 h GLN 65 N 0.04 -0.02 -0.93 2.19 4.20 -1.39 0.29 115.11 119.49 2kj1 h GLN 65 Ca 0.35 0.00 0.21 0.00 0.06 0.00 0.00 58.65 59.27 2kj1 h GLN 65 Cb 0.57 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.24 2kj1 h GLN 65 CO -0.67 -0.01 0.49 0.00 -0.67 0.00 0.00 178.83 177.97 2kj1 h ALA 66 N 1.27 1.54 -0.60 3.87 0.00 0.11 1.17 119.26 126.61 2kj1 h ALA 66 Ca 0.14 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2kj1 h ALA 66 Cb 0.24 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2kj1 h ALA 66 CO -0.31 -0.23 0.40 -0.22 0.00 0.00 0.00 179.25 178.88 2kj1 h LYS 67 N 0.54 0.48 -0.11 0.00 3.64 0.19 -1.07 116.57 120.23 2kj1 h LYS 67 Ca 0.57 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2kj1 h LYS 67 Cb 1.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2kj1 h LYS 67 CO -0.46 0.31 0.06 1.49 -2.27 0.00 0.00 179.45 178.58 2kj1 h GLU 68 N 0.49 0.16 0.00 1.90 4.81 0.17 -0.89 114.58 121.23 2kj1 h GLU 68 Ca 0.27 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2kj1 h GLU 68 Cb 0.42 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2kj1 h GLU 68 CO -0.08 0.23 -0.03 1.15 -0.73 0.00 0.00 179.01 179.55 2kj1 h THR 69 N 0.06 0.28 0.51 0.32 2.02 -0.89 -2.65 112.91 112.56 2kj1 h THR 69 Ca 0.04 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2kj1 h THR 69 Cb 0.12 1.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2kj1 h THR 69 CO -0.01 0.03 -0.25 -0.03 0.37 0.00 0.00 175.52 175.64 2kj1 h MET 70 N 0.00 -0.66 -1.20 6.66 1.85 -0.16 -2.51 114.93 118.90 2kj1 h MET 70 Ca -0.00 0.05 0.34 0.00 -0.61 0.00 0.00 59.70 59.48 2kj1 h MET 70 Cb 0.13 0.15 -0.08 0.00 0.43 0.00 0.00 31.60 32.23 2kj1 h MET 70 CO 0.00 -0.39 0.82 -0.22 -0.40 0.00 0.00 176.91 176.73 2kj1 h LYS 71 N -1.12 0.14 -0.07 0.39 3.64 -1.04 0.76 116.57 119.27 2kj1 h LYS 71 Ca -0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kj1 h LYS 71 Cb 0.57 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2kj1 h LYS 71 CO 0.12 0.10 0.03 1.49 -2.27 0.00 0.00 179.45 178.91 2kj1 h GLU 72 N 0.15 0.10 -1.02 1.90 4.81 -1.25 -0.34 114.58 118.92 2kj1 h GLU 72 Ca 0.63 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 60.10 2kj1 h GLU 72 Cb 2.14 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 31.39 2kj1 h GLU 72 CO -0.16 0.19 0.63 0.28 -0.73 0.00 0.00 179.01 179.23 2kj1 h VAL 73 N -0.01 0.55 0.02 0.32 2.07 0.97 -0.70 116.25 119.47 2kj1 h VAL 73 Ca 0.02 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2kj1 h VAL 73 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2kj1 h VAL 73 CO -0.00 0.09 -0.01 -0.07 0.02 0.00 0.00 177.57 177.60 2kj1 h LEU 74 N 0.50 -0.02 -1.30 2.57 3.38 -1.11 0.04 115.31 119.37 2kj1 h LEU 74 Ca 0.61 -0.75 0.30 0.00 0.09 0.00 0.00 57.88 58.14 2kj1 h LEU 74 Cb 1.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 2kj1 h LEU 74 CO -0.37 0.77 0.69 0.28 0.09 0.00 0.00 178.44 179.90 2kj1 h SER 75 N -0.84 0.43 0.05 -0.43 0.02 -0.05 0.25 113.55 112.97 2kj1 h SER 75 Ca -0.00 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2kj1 h SER 75 Cb 0.76 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2kj1 h SER 75 CO 0.00 0.01 -0.02 0.44 -1.14 0.00 0.00 176.83 176.12 2kj1 h ASP 76 N 0.34 -0.05 -0.67 3.07 3.32 -1.17 -2.72 116.42 118.55 2kj1 h ASP 76 Ca 0.66 -0.39 0.12 0.00 0.02 0.00 0.00 57.03 57.44 2kj1 h ASP 76 Cb 1.71 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 41.15 2kj1 h ASP 76 CO -0.37 0.62 -0.32 -1.13 -1.72 0.00 0.00 179.24 176.32 2kj1 h ASN 77 N -0.98 -1.12 -0.18 6.45 -0.73 0.46 0.61 115.58 120.09 2kj1 h ASN 77 Ca -0.01 0.24 0.02 0.00 1.87 0.00 0.00 56.30 58.42 2kj1 h ASN 77 Cb 0.43 0.58 -0.02 0.00 0.27 0.00 0.00 38.32 39.59 2kj1 h ASN 77 CO 0.01 -0.29 0.06 0.24 -0.37 0.00 0.00 177.43 177.08 2kj1 h MET 78 N -0.12 0.14 0.33 6.67 2.86 -0.69 0.58 114.93 124.70 2kj1 h MET 78 Ca 0.27 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2kj1 h MET 78 Cb 0.56 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2kj1 h MET 78 CO -0.73 0.09 -0.17 1.49 1.06 0.00 0.00 176.91 178.65 2kj1 h GLU 79 N 0.14 -0.45 -0.93 1.72 4.22 -0.64 0.34 114.58 118.99 2kj1 h GLU 79 Ca 0.08 0.03 0.20 0.00 0.08 0.00 0.00 59.36 59.75 2kj1 h GLU 79 Cb 0.05 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 2kj1 h GLU 79 CO -0.08 -0.30 0.60 0.28 -2.18 0.00 0.00 179.01 177.34 2kj1 h VAL 80 N -0.47 0.68 0.33 0.32 2.07 0.33 -0.12 116.25 119.40 2kj1 h VAL 80 Ca -0.04 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2kj1 h VAL 80 Cb 0.37 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2kj1 h VAL 80 CO 0.06 0.09 -0.16 0.25 0.02 0.00 0.00 177.57 177.83 2kj1 h LEU 81 N 0.48 -0.38 0.00 2.57 6.46 0.21 -2.72 115.31 121.93 2kj1 h LEU 81 Ca 0.49 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 2kj1 h LEU 81 Cb 1.13 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2kj1 h LEU 81 CO -0.21 0.08 0.06 -1.20 -0.62 0.00 0.00 178.44 176.54 2kj1 n SER 82 N -5.09 0.00 -0.02 1.25 7.64 0.11 -2.44 113.62 115.08 2kj1 n SER 82 Ca -0.08 0.24 -0.01 0.00 1.01 0.00 0.00 58.87 60.03 2kj1 n SER 82 Cb 0.26 -0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.00 -0.31 6.43 3.32 -0.75 -3.38 116.42 121.72 2kj1 h ASP 83 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2kj1 h ASP 83 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2kj1 h ASP 83 CO 0.00 0.20 0.30 0.45 -1.72 0.00 0.00 179.24 178.47 2kj1 h HIS 84 N -0.28 0.00 -0.01 4.55 3.86 -1.30 -3.41 115.15 118.55 2kj1 h HIS 84 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 2kj1 h HIS 84 Cb 0.12 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.50 2kj1 h HIS 84 CO -0.05 0.00 1.72 0.44 0.86 0.00 0.00 177.93 180.90 2kj1 n ILE 85 N -3.92 0.00 -0.74 2.45 -5.35 -1.02 -4.81 119.36 105.96 2kj1 n ILE 85 Ca 0.05 -0.49 -0.32 0.00 -0.27 0.00 0.00 62.75 61.71 2kj1 n ILE 85 Cb 0.46 -0.10 0.14 0.00 -1.74 0.00 0.00 39.64 38.40 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2kj1 n VAL 86 N 5.46 0.00 -3.54 7.28 0.31 -1.26 -5.01 118.33 121.57 2kj1 n VAL 86 Ca 0.53 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.52 2kj1 n VAL 86 Cb 0.23 -0.65 -0.03 0.00 -0.91 0.00 0.00 33.84 32.48 2kj1 n VAL 86 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2kj1 s ILE 87 N -2.36 0.04 -0.03 2.52 -4.36 -1.25 -4.39 121.20 111.37 2kj1 s ILE 87 Ca 0.57 -0.31 -0.02 0.00 -0.26 0.00 0.00 60.65 60.63 2kj1 s ILE 87 Cb -0.19 -1.09 0.01 0.00 1.25 0.00 0.00 42.46 42.44 2kj1 s ILE 87 CO 0.67 -0.17 0.04 1.21 0.24 0.00 0.00 174.94 176.92 2kj1 n GLU 88 N -0.28 -1.79 0.00 0.37 2.13 -1.26 -4.29 120.64 115.52 2kj1 n GLU 88 Ca -0.17 1.57 0.00 0.00 0.66 0.00 0.00 57.16 59.23 2kj1 n GLU 88 Cb 0.64 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 2.40 3.10 2.87 8.31 0.00 -1.26 -4.98 105.19 115.64 2kj1 n GLY 89 Ca -0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 2.15 -0.13 0.99 2.96 -1.26 -5.11 118.68 118.28 2kj1 s LEU 90 Ca 0.00 -1.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.57 2kj1 s LEU 90 Cb 0.00 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 2kj1 s LEU 90 CO 0.00 -0.26 0.83 -0.94 -1.32 0.00 0.00 176.35 174.66 2kj1 s SER 91 N 1.54 7.01 0.53 3.68 1.04 -1.26 -3.76 113.70 122.48 2kj1 s SER 91 Ca -0.04 1.23 0.41 0.00 0.48 0.00 0.00 55.95 58.03 2kj1 s SER 91 Cb -0.18 -2.46 1.60 0.00 0.10 0.00 0.00 66.02 65.08 2kj1 s SER 91 CO -0.07 -0.34 1.69 0.00 0.98 0.00 0.00 173.24 175.51 2kj1 h ALA 92 N 7.17 3.36 -0.65 5.32 0.00 -1.96 -1.20 119.26 131.31 2kj1 h ALA 92 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kj1 h ALA 92 Cb 1.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2kj1 h ALA 92 CO 0.81 -1.82 0.00 0.39 0.00 0.00 0.00 179.25 178.63 2kj1 n GLU 93 N -4.14 0.00 -0.39 0.00 1.02 -1.26 0.23 120.64 116.10 2kj1 n GLU 93 Ca 0.34 0.41 -0.07 0.00 -0.02 0.00 0.00 57.16 57.82 2kj1 n GLU 93 Cb 1.56 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 31.55 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 -0.02 -0.04 3.49 5.08 -1.63 0.60 114.58 122.06 2kj1 h GLU 94 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2kj1 h GLU 94 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2kj1 h GLU 94 CO 0.00 -0.01 -0.24 0.82 -1.00 0.00 0.00 179.01 178.58 2kj1 h ILE 95 N -0.02 0.00 -0.58 3.13 1.08 -1.41 0.89 117.51 120.60 2kj1 h ILE 95 Ca 0.23 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.78 2kj1 h ILE 95 Cb 0.49 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.14 2kj1 h ILE 95 CO -0.94 0.00 -0.47 0.40 -0.69 0.00 0.00 178.15 176.45 2kj1 h ILE 96 N -0.27 0.06 0.00 -0.67 2.04 0.19 2.03 117.51 120.88 2kj1 h ILE 96 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2kj1 h ILE 96 Cb 0.31 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2kj1 h ILE 96 CO -0.18 0.00 0.06 0.29 0.00 0.00 0.00 178.15 178.32 2kj1 n LYS 97 N -5.39 0.00 -0.05 2.37 4.76 0.19 -0.15 118.16 119.89 2kj1 n LYS 97 Ca 0.01 0.39 -0.16 0.00 -2.87 0.00 0.00 58.31 55.67 2kj1 n LYS 97 Cb 0.34 -1.56 -0.13 0.00 -1.84 0.00 0.00 35.03 31.84 2kj1 n LYS 97 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 2kj1 h MET 98 N 0.00 0.07 0.00 1.97 4.05 0.57 -2.79 114.93 118.80 2kj1 h MET 98 Ca 0.00 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2kj1 h MET 98 Cb 0.12 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2kj1 h MET 98 CO 0.00 1.06 -0.00 0.78 0.23 0.00 0.00 176.91 178.97 2kj1 h GLY 99 N -0.83 0.00 0.27 1.39 0.00 0.07 -1.97 103.07 102.00 2kj1 h GLY 99 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 2kj1 h GLY 99 CO 0.01 0.00 -0.54 0.83 0.00 0.00 0.00 176.54 176.83 2kj1 h GLU 100 N 0.00 0.12 0.00 4.80 5.08 -1.45 -3.25 114.58 119.88 2kj1 h GLU 100 Ca -0.00 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2kj1 h GLU 100 Cb 0.14 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kj1 h GLU 100 CO 0.00 1.09 -0.01 1.15 -1.00 0.00 0.00 179.01 180.24 2kj1 h THR 101 N -0.74 0.21 -1.77 1.13 2.02 -1.18 -3.42 112.91 109.15 2kj1 h THR 101 Ca -0.12 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 66.99 2kj1 h THR 101 Cb 1.31 1.09 -0.24 0.00 -1.74 0.00 0.00 68.15 68.57 2kj1 h THR 101 CO 0.03 0.01 0.26 0.54 0.37 0.00 0.00 175.52 176.73 2kj1 s VAL 102 N -4.24 0.00 0.00 3.16 0.11 -0.77 -5.11 120.40 113.55 2kj1 s VAL 102 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2kj1 s VAL 102 Cb 0.13 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2kj1 s VAL 102 CO 0.48 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 172.14