#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 0.66 -3.67 1.61 -0.02 -1.26 -5.02 135.00 127.30 2kj1 n PRO 44 Ca 0.00 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 2kj1 n PRO 44 Cb 0.00 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.24 -0.68 0.63 2.55 3.84 -1.26 -5.00 114.94 113.78 2kj1 s ASN 45 Ca 0.72 1.23 0.18 0.00 0.21 0.00 0.00 52.86 55.20 2kj1 s ASN 45 Cb -0.42 1.19 0.70 0.00 -0.55 0.00 0.00 41.25 42.17 2kj1 s ASN 45 CO 0.51 -0.21 1.30 0.07 -2.79 0.00 0.00 177.10 175.97 2kj1 h LYS 46 N 5.86 0.00 0.00 0.43 2.10 -2.01 1.43 116.57 124.38 2kj1 h LYS 46 Ca -0.30 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.31 2kj1 h LYS 46 Cb 1.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2kj1 h LYS 46 CO 0.16 0.00 -0.22 1.49 -2.00 0.00 0.00 179.45 178.88 2kj1 h GLU 47 N 0.00 0.00 0.10 0.07 4.81 -1.99 -2.63 114.58 114.94 2kj1 h GLU 47 Ca 0.26 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 2kj1 h GLU 47 Cb 2.28 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.67 2kj1 h GLU 47 CO -0.00 0.22 -0.84 1.15 -0.73 0.00 0.00 179.01 178.81 2kj1 h THR 48 N 0.00 1.42 -0.69 0.32 2.02 0.16 -2.56 112.91 113.57 2kj1 h THR 48 Ca -0.00 -2.45 -0.03 0.00 0.77 0.00 0.00 66.41 64.70 2kj1 h THR 48 Cb 0.81 3.07 -0.03 0.00 -1.74 0.00 0.00 68.15 70.25 2kj1 h THR 48 CO 0.03 0.67 0.32 0.16 0.37 0.00 0.00 175.52 177.08 2kj1 h ILE 49 N -0.50 1.23 -0.68 3.11 -0.00 -1.59 -1.95 117.51 117.13 2kj1 h ILE 49 Ca -0.17 -0.65 -0.03 0.00 -0.00 0.00 0.00 64.86 64.02 2kj1 h ILE 49 Cb 1.54 0.35 -0.03 0.00 -0.00 0.00 0.00 36.82 38.68 2kj1 h ILE 49 CO 0.08 0.27 0.32 0.78 -0.00 0.00 0.00 178.15 179.60 2kj1 h ASN 50 N 0.99 0.89 -0.49 2.16 2.35 -1.55 -0.59 115.58 119.34 2kj1 h ASN 50 Ca 0.24 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2kj1 h ASN 50 Cb 0.12 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2kj1 h ASN 50 CO -0.03 0.78 0.33 -0.09 -1.65 0.00 0.00 177.43 176.77 2kj1 h ARG 51 N 0.94 0.47 -0.08 0.81 2.43 -0.92 0.53 114.38 118.55 2kj1 h ARG 51 Ca 0.23 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2kj1 h ARG 51 Cb 0.13 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2kj1 h ARG 51 CO -0.03 0.31 -0.33 1.49 -1.51 0.00 0.00 179.97 179.90 2kj1 h GLU 52 N 0.48 0.37 0.00 0.20 4.81 -0.83 -2.76 114.58 116.86 2kj1 h GLU 52 Ca 0.21 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kj1 h GLU 52 Cb 0.22 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2kj1 h GLU 52 CO -0.05 0.92 0.00 0.28 -0.73 0.00 0.00 179.01 179.43 2kj1 h VAL 53 N -0.10 0.00 0.34 0.32 2.07 -0.35 -2.42 116.25 116.11 2kj1 h VAL 53 Ca -0.02 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2kj1 h VAL 53 Cb 0.97 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2kj1 h VAL 53 CO 0.07 0.00 -0.16 -1.28 0.02 0.00 0.00 177.57 176.22 2kj1 h SER 54 N 0.00 -0.38 -0.50 0.57 0.87 0.12 -2.76 113.55 111.47 2kj1 h SER 54 Ca 0.00 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 2kj1 h SER 54 Cb 0.59 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 2kj1 h SER 54 CO 0.00 0.03 0.34 0.40 -0.53 0.00 0.00 176.83 177.07 2kj1 h ILE 55 N -1.05 0.85 0.04 2.23 2.04 -1.53 -1.54 117.51 118.54 2kj1 h ILE 55 Ca -0.05 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.77 2kj1 h ILE 55 Cb 0.35 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2kj1 h ILE 55 CO 0.08 0.04 -0.33 0.25 0.00 0.00 0.00 178.15 178.19 2kj1 h LEU 56 N 0.21 -0.97 -0.29 1.44 7.12 -1.39 0.59 115.31 122.02 2kj1 h LEU 56 Ca 0.23 0.12 0.04 0.00 0.13 0.00 0.00 57.88 58.41 2kj1 h LEU 56 Cb 0.64 0.38 -0.04 0.00 -0.53 0.00 0.00 40.66 41.12 2kj1 h LEU 56 CO -0.04 -0.40 0.04 -0.09 -0.13 0.00 0.00 178.44 177.82 2kj1 h ARG 57 N -0.50 0.13 -0.27 1.25 2.43 -0.99 -1.69 114.38 114.75 2kj1 h ARG 57 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2kj1 h ARG 57 Cb 0.57 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2kj1 h ARG 57 CO -0.25 0.09 0.17 1.25 -1.51 0.00 0.00 179.97 179.72 2kj1 h HIS 58 N 0.14 0.35 -0.48 2.20 2.76 -1.17 -2.57 115.15 116.37 2kj1 h HIS 58 Ca 0.13 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.40 2kj1 h HIS 58 Cb 0.15 -0.12 -0.10 0.00 1.55 0.00 0.00 27.41 28.90 2kj1 h HIS 58 CO -0.18 0.24 -0.26 1.03 -1.30 0.00 0.00 177.93 177.45 2kj1 h SER 59 N 0.36 -0.91 -0.57 3.26 0.87 0.79 1.00 113.55 118.35 2kj1 h SER 59 Ca 0.10 0.19 0.11 0.00 -1.23 0.00 0.00 61.79 60.96 2kj1 h SER 59 Cb -0.02 0.47 -0.11 0.00 -0.44 0.00 0.00 62.40 62.30 2kj1 h SER 59 CO -0.02 -0.28 -0.24 0.22 -0.53 0.00 0.00 176.83 175.98 2kj1 h TYR 60 N -0.16 -0.61 -0.33 2.24 3.20 -0.93 -1.54 116.97 118.84 2kj1 h TYR 60 Ca 0.22 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.18 2kj1 h TYR 60 Cb 0.50 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 2kj1 h TYR 60 CO -0.53 -0.33 -0.31 0.37 -1.64 0.00 0.00 178.16 175.73 2kj1 h GLN 61 N -0.10 -0.14 -0.90 1.82 4.15 -0.56 0.25 115.11 119.64 2kj1 h GLN 61 Ca 0.26 0.01 0.25 0.00 0.77 0.00 0.00 58.65 59.94 2kj1 h GLN 61 Cb 0.50 0.03 -0.15 0.00 0.21 0.00 0.00 27.48 28.08 2kj1 h GLN 61 CO -0.63 -0.09 0.26 0.87 -1.93 0.00 0.00 178.83 177.31 2kj1 h LYS 62 N -0.14 0.19 0.22 1.69 1.57 -0.95 -0.55 116.57 118.58 2kj1 h LYS 62 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2kj1 h LYS 62 Cb 0.29 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2kj1 h LYS 62 CO -0.39 0.12 -0.17 0.93 -0.57 0.00 0.00 179.45 179.38 2kj1 h GLU 63 N 0.19 -0.36 -0.42 3.15 5.08 0.07 0.48 114.58 122.78 2kj1 h GLU 63 Ca 0.58 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 59.05 2kj1 h GLU 63 Cb 1.22 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.46 2kj1 h GLU 63 CO -0.68 -0.24 -0.27 0.97 -1.00 0.00 0.00 179.01 177.79 2kj1 h ILE 64 N -0.37 0.30 -0.16 3.13 2.10 -0.58 -0.12 117.51 121.80 2kj1 h ILE 64 Ca -0.03 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.96 2kj1 h ILE 64 Cb 0.31 0.30 -0.07 0.00 -1.09 0.00 0.00 36.82 36.27 2kj1 h ILE 64 CO 0.01 0.00 -0.38 1.56 -1.08 0.00 0.00 178.15 178.25 2kj1 h GLN 65 N -0.19 -0.43 -0.92 2.19 4.20 -0.98 0.75 115.11 119.73 2kj1 h GLN 65 Ca 0.19 0.03 0.27 0.00 0.06 0.00 0.00 58.65 59.20 2kj1 h GLN 65 Cb 0.50 0.10 -0.15 0.00 0.30 0.00 0.00 27.48 28.23 2kj1 h GLN 65 CO -0.53 -0.28 0.31 0.00 -0.67 0.00 0.00 178.83 177.66 2kj1 h ALA 66 N 0.26 1.46 -0.63 3.87 0.00 0.17 2.27 119.26 126.67 2kj1 h ALA 66 Ca 0.09 0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.35 2kj1 h ALA 66 Cb 0.60 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2kj1 h ALA 66 CO -0.40 -0.52 0.42 -0.22 0.00 0.00 0.00 179.25 178.53 2kj1 h LYS 67 N 0.21 0.34 0.49 0.00 3.64 0.46 0.22 116.57 121.93 2kj1 h LYS 67 Ca 0.61 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.95 2kj1 h LYS 67 Cb 1.30 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2kj1 h LYS 67 CO -0.67 0.23 -0.24 0.93 -2.27 0.00 0.00 179.45 177.43 2kj1 h GLU 68 N 0.35 -0.64 0.00 1.90 4.39 0.42 -0.30 114.58 120.70 2kj1 h GLU 68 Ca 0.30 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2kj1 h GLU 68 Cb 0.69 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kj1 h GLU 68 CO -0.08 -0.34 -0.03 1.15 -1.16 0.00 0.00 179.01 178.55 2kj1 h THR 69 N -0.90 0.95 0.59 1.13 2.02 -0.91 -2.35 112.91 113.43 2kj1 h THR 69 Ca -0.07 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2kj1 h THR 69 Cb 0.59 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2kj1 h THR 69 CO 0.11 0.03 -0.28 0.24 0.37 0.00 0.00 175.52 175.99 2kj1 h MET 70 N 0.00 -0.76 -0.39 6.66 2.86 -0.30 -1.99 114.93 121.00 2kj1 h MET 70 Ca -0.00 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 2kj1 h MET 70 Cb 0.06 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2kj1 h MET 70 CO 0.00 -0.51 0.67 -0.22 1.06 0.00 0.00 176.91 177.92 2kj1 h LYS 71 N -1.12 0.00 0.14 1.72 3.64 -0.82 0.34 116.57 120.47 2kj1 h LYS 71 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2kj1 h LYS 71 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2kj1 h LYS 71 CO 0.13 0.00 -0.07 1.49 -2.27 0.00 0.00 179.45 178.74 2kj1 h GLU 72 N 0.00 -0.18 -1.03 1.90 4.81 -0.93 -1.89 114.58 117.27 2kj1 h GLU 72 Ca 0.19 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.68 2kj1 h GLU 72 Cb 1.52 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.85 2kj1 h GLU 72 CO -0.00 0.28 0.66 0.28 -0.73 0.00 0.00 179.01 179.49 2kj1 h VAL 73 N -0.79 0.55 -0.03 0.32 2.07 0.38 0.23 116.25 118.99 2kj1 h VAL 73 Ca -0.02 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2kj1 h VAL 73 Cb 0.54 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2kj1 h VAL 73 CO 0.03 0.08 -0.08 -0.07 0.02 0.00 0.00 177.57 177.55 2kj1 h LEU 74 N 0.43 0.12 -1.15 2.57 3.38 -1.41 0.42 115.31 119.67 2kj1 h LEU 74 Ca 0.59 -0.60 0.30 0.00 0.09 0.00 0.00 57.88 58.26 2kj1 h LEU 74 Cb 1.43 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 42.02 2kj1 h LEU 74 CO -0.30 0.70 0.64 0.28 0.09 0.00 0.00 178.44 179.84 2kj1 h SER 75 N -0.45 0.51 0.00 -0.43 0.02 -0.12 0.44 113.55 113.53 2kj1 h SER 75 Ca -0.00 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kj1 h SER 75 Cb 0.68 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2kj1 h SER 75 CO 0.02 -0.00 -0.00 0.44 -1.14 0.00 0.00 176.83 176.14 2kj1 h ASP 76 N 0.40 -0.00 -0.23 3.07 3.32 -1.26 -2.47 116.42 119.25 2kj1 h ASP 76 Ca 0.68 -0.88 0.04 0.00 0.02 0.00 0.00 57.03 56.89 2kj1 h ASP 76 Cb 1.60 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.07 2kj1 h ASP 76 CO -0.46 0.92 -0.51 -1.13 -1.72 0.00 0.00 179.24 176.35 2kj1 h ASN 77 N -0.97 -1.64 -0.49 6.45 -0.73 0.10 -0.63 115.58 117.69 2kj1 h ASN 77 Ca -0.00 0.21 0.06 0.00 1.87 0.00 0.00 56.30 58.44 2kj1 h ASN 77 Cb 0.89 0.66 -0.05 0.00 0.27 0.00 0.00 38.32 40.08 2kj1 h ASN 77 CO 0.00 -0.44 0.18 0.24 -0.37 0.00 0.00 177.43 177.04 2kj1 h MET 78 N -0.49 0.35 -0.73 6.67 2.86 -0.34 -1.82 114.93 121.42 2kj1 h MET 78 Ca 0.07 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 2kj1 h MET 78 Cb 0.64 -0.08 -0.13 0.00 0.06 0.00 0.00 31.60 32.10 2kj1 h MET 78 CO -0.48 0.23 -0.02 1.49 1.06 0.00 0.00 176.91 179.19 2kj1 h GLU 79 N 0.36 0.08 -0.38 1.72 4.81 -0.65 0.61 114.58 121.13 2kj1 h GLU 79 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2kj1 h GLU 79 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2kj1 h GLU 79 CO -0.22 0.06 0.24 0.28 -0.73 0.00 0.00 179.01 178.63 2kj1 h VAL 80 N 0.09 1.11 0.30 0.32 2.07 -0.45 0.44 116.25 120.13 2kj1 h VAL 80 Ca 0.39 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2kj1 h VAL 80 Cb 0.67 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2kj1 h VAL 80 CO -0.66 0.10 -0.14 0.25 0.02 0.00 0.00 177.57 177.14 2kj1 h LEU 81 N 0.51 -0.34 -2.65 2.57 6.46 -0.37 -1.92 115.31 119.57 2kj1 h LEU 81 Ca 0.14 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2kj1 h LEU 81 Cb -0.04 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2kj1 h LEU 81 CO -0.03 -0.14 -0.00 0.28 -0.62 0.00 0.00 178.44 177.93 2kj1 h SER 82 N -0.53 0.00 0.46 1.25 0.02 0.31 -0.24 113.55 114.83 2kj1 h SER 82 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2kj1 h SER 82 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2kj1 h SER 82 CO 0.07 0.00 -0.22 0.44 -1.14 0.00 0.00 176.83 175.98 2kj1 h ASP 83 N 0.00 -0.52 0.39 3.07 3.32 0.70 -3.33 116.42 120.05 2kj1 h ASP 83 Ca -0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2kj1 h ASP 83 Cb 0.11 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2kj1 h ASP 83 CO 0.00 -0.32 -0.19 0.45 -1.72 0.00 0.00 179.24 177.46 2kj1 h HIS 84 N -0.73 -0.49 -2.45 4.55 3.86 -1.32 -3.48 115.15 115.09 2kj1 h HIS 84 Ca -0.06 -0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.35 2kj1 h HIS 84 Cb 0.48 0.16 -0.10 0.00 1.06 0.00 0.00 27.41 29.01 2kj1 h HIS 84 CO 0.08 -0.30 -0.64 1.51 0.86 0.00 0.00 177.93 179.44 2kj1 n ILE 85 N -3.44 -0.26 -1.95 2.45 3.06 -0.13 -4.51 119.36 114.58 2kj1 n ILE 85 Ca -0.07 0.42 -0.42 0.00 -2.50 0.00 0.00 62.75 60.18 2kj1 n ILE 85 Cb 0.21 -0.70 -0.03 0.00 0.54 0.00 0.00 39.64 39.66 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 -3.84 3.10 0.00 9.51 0.11 -1.26 -3.99 120.40 124.02 2kj1 s VAL 86 Ca 0.00 0.54 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 2kj1 s VAL 86 Cb 0.00 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.49 2kj1 s VAL 86 CO 0.00 -0.00 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.15 2kj1 s ILE 87 N 2.60 0.87 0.08 7.04 2.07 -1.15 -4.78 121.20 127.94 2kj1 s ILE 87 Ca 0.73 -0.56 -0.32 0.00 -1.41 0.00 0.00 60.65 59.09 2kj1 s ILE 87 Cb -0.39 -0.75 -0.11 0.00 0.13 0.00 0.00 42.46 41.34 2kj1 s ILE 87 CO 0.32 0.18 1.81 -1.84 -1.91 0.00 0.00 174.94 173.50 2kj1 n GLU 88 N 2.64 2.56 0.00 3.50 0.28 -1.26 0.15 120.64 128.50 2kj1 n GLU 88 Ca -0.15 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 57.78 2kj1 n GLU 88 Cb 0.56 -2.80 0.00 0.00 1.43 0.00 0.00 31.44 30.63 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kj1 n GLY 89 N 4.13 2.96 2.44 -1.84 0.00 -1.26 -4.74 105.19 106.89 2kj1 n GLY 89 Ca 0.19 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 2.25 -4.62 0.99 7.94 0.41 -5.04 117.00 118.93 2kj1 n LEU 90 Ca 0.00 -5.21 -0.43 0.00 -1.11 0.00 0.00 56.01 49.26 2kj1 n LEU 90 Cb 0.00 0.09 -0.03 0.00 0.53 0.00 0.00 43.42 44.01 2kj1 n LEU 90 CO 0.00 2.22 1.62 -0.55 -1.11 0.00 0.00 177.39 179.56 2kj1 s SER 91 N -2.45 6.00 0.58 1.96 0.15 0.40 -2.93 113.70 117.42 2kj1 s SER 91 Ca 0.41 1.93 0.32 0.00 0.70 0.00 0.00 55.95 59.32 2kj1 s SER 91 Cb 0.25 -2.52 1.38 0.00 -1.71 0.00 0.00 66.02 63.41 2kj1 s SER 91 CO -0.09 -1.52 1.69 0.00 1.20 0.00 0.00 173.24 174.53 2kj1 h ALA 92 N 12.52 2.77 0.16 5.45 0.00 -1.81 -1.14 119.26 137.22 2kj1 h ALA 92 Ca -0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kj1 h ALA 92 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kj1 h ALA 92 CO 0.98 -1.32 -0.08 1.49 0.00 0.00 0.00 179.25 180.32 2kj1 h GLU 93 N 0.00 -0.21 -0.99 0.00 4.81 -1.92 -2.25 114.58 114.03 2kj1 h GLU 93 Ca 0.44 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.83 2kj1 h GLU 93 Cb 2.13 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 31.40 2kj1 h GLU 93 CO -0.00 -0.14 -0.39 -1.91 -0.73 0.00 0.00 179.01 175.83 2kj1 n GLU 94 N -2.92 -0.24 0.03 1.92 2.13 -0.48 -0.76 120.64 120.32 2kj1 n GLU 94 Ca -0.03 1.52 -0.08 0.00 0.66 0.00 0.00 57.16 59.23 2kj1 n GLU 94 Cb 0.09 -2.25 -0.05 0.00 0.27 0.00 0.00 31.44 29.49 2kj1 n GLU 94 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kj1 h ILE 95 N 0.00 0.00 -0.62 6.31 1.08 -1.48 -1.96 117.51 120.83 2kj1 h ILE 95 Ca 0.34 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.93 2kj1 h ILE 95 Cb 0.58 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.21 2kj1 h ILE 95 CO -0.98 0.00 -0.16 -0.38 -0.69 0.00 0.00 178.15 175.95 2kj1 n ILE 96 N -4.05 -0.26 0.12 -0.67 -0.00 0.06 0.17 119.36 114.73 2kj1 n ILE 96 Ca -0.04 1.42 -0.13 0.00 -0.00 0.00 0.00 62.75 64.01 2kj1 n ILE 96 Cb 0.21 -1.97 -0.06 0.00 -0.00 0.00 0.00 39.64 37.82 2kj1 n ILE 96 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2kj1 h LYS 97 N 0.00 -0.40 -0.62 0.38 1.57 -1.00 0.33 116.57 116.82 2kj1 h LYS 97 Ca 0.30 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.23 2kj1 h LYS 97 Cb 0.45 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.73 2kj1 h LYS 97 CO -0.64 -0.27 -0.19 0.52 -0.57 0.00 0.00 179.45 178.30 2kj1 h MET 98 N -0.42 -0.03 0.00 3.15 2.86 0.21 1.82 114.93 122.52 2kj1 h MET 98 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2kj1 h MET 98 Cb 0.43 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2kj1 h MET 98 CO -0.11 -0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.25 2kj1 n GLY 99 N -1.44 -0.83 0.10 8.32 0.00 -0.52 -2.59 105.19 108.24 2kj1 n GLY 99 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2kj1 n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kj1 h GLU 100 N 0.00 0.17 0.00 1.61 4.81 0.49 -3.19 114.58 118.46 2kj1 h GLU 100 Ca 0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2kj1 h GLU 100 Cb 0.17 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2kj1 h GLU 100 CO 0.00 1.01 -0.10 0.00 -0.73 0.00 0.00 179.01 179.19 2kj1 h THR 101 N -0.58 0.40 -2.89 0.32 1.03 -1.21 -3.41 112.91 106.56 2kj1 h THR 101 Ca -0.05 -0.55 -0.18 0.00 -0.01 0.00 0.00 66.41 65.62 2kj1 h THR 101 Cb 1.14 1.39 -0.29 0.00 -1.07 0.00 0.00 68.15 69.32 2kj1 h THR 101 CO 0.06 0.10 -0.44 0.68 -0.01 0.00 0.00 175.52 175.91 2kj1 s VAL 102 N -4.02 -0.12 0.00 0.00 -7.23 -1.16 -5.15 120.40 102.73 2kj1 s VAL 102 Ca -0.02 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2kj1 s VAL 102 Cb 0.12 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.60 2kj1 s VAL 102 CO 0.56 0.06 0.00 -0.11 -0.31 0.00 0.00 175.10 175.31