#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 -0.23 -3.74 1.61 -0.04 -1.26 -5.03 135.00 126.30 2kj1 n PRO 44 Ca 0.00 -0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 62.93 2kj1 n PRO 44 Cb 0.00 -1.02 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 2kj1 n PRO 44 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2kj1 s ASN 45 N -1.66 -0.22 0.58 3.54 3.84 -1.26 -5.01 114.94 114.76 2kj1 s ASN 45 Ca 0.19 0.45 0.31 0.00 0.21 0.00 0.00 52.86 54.01 2kj1 s ASN 45 Cb -0.03 0.36 1.41 0.00 -0.55 0.00 0.00 41.25 42.43 2kj1 s ASN 45 CO 0.16 -0.15 1.77 0.11 -2.79 0.00 0.00 177.10 176.20 2kj1 h LYS 46 N 6.98 0.00 0.00 0.43 1.57 -2.01 1.02 116.57 124.56 2kj1 h LYS 46 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2kj1 h LYS 46 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2kj1 h LYS 46 CO 0.39 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 180.20 2kj1 h GLU 47 N 0.00 0.00 0.00 3.15 5.08 -1.99 -2.87 114.58 117.95 2kj1 h GLU 47 Ca 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2kj1 h GLU 47 Cb 1.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 2kj1 h GLU 47 CO -0.00 0.00 -0.26 1.15 -1.00 0.00 0.00 179.01 178.89 2kj1 h THR 48 N 0.00 0.24 -0.97 1.13 2.02 0.69 -2.30 112.91 113.71 2kj1 h THR 48 Ca 0.00 -1.21 0.26 0.00 0.77 0.00 0.00 66.41 66.22 2kj1 h THR 48 Cb 0.55 0.49 -0.13 0.00 -1.74 0.00 0.00 68.15 67.31 2kj1 h THR 48 CO 0.00 0.08 0.53 0.16 0.37 0.00 0.00 175.52 176.66 2kj1 h ILE 49 N -1.00 0.46 -0.16 3.11 -0.00 -1.60 0.71 117.51 119.04 2kj1 h ILE 49 Ca -0.02 -0.16 -0.10 0.00 -0.00 0.00 0.00 64.86 64.57 2kj1 h ILE 49 Cb 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 36.82 37.13 2kj1 h ILE 49 CO -0.01 0.09 -0.29 -1.13 -0.00 0.00 0.00 178.15 176.80 2kj1 h ASN 50 N 0.47 0.53 -1.03 2.16 -0.73 -1.63 -2.49 115.58 112.86 2kj1 h ASN 50 Ca 0.64 -0.55 0.26 0.00 1.87 0.00 0.00 56.30 58.53 2kj1 h ASN 50 Cb 1.28 -0.15 -0.11 0.00 0.27 0.00 0.00 38.32 39.61 2kj1 h ASN 50 CO -0.52 0.98 0.65 0.03 -0.37 0.00 0.00 177.43 178.19 2kj1 h ARG 51 N 0.10 0.44 0.00 6.67 2.47 -0.27 0.51 114.38 124.31 2kj1 h ARG 51 Ca 0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2kj1 h ARG 51 Cb 0.88 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2kj1 h ARG 51 CO 0.07 0.29 0.00 0.39 0.56 0.00 0.00 179.97 181.28 2kj1 n GLU 52 N -4.73 0.00 -0.69 0.04 1.02 -0.89 -2.64 120.64 112.75 2kj1 n GLU 52 Ca 0.26 0.41 0.52 0.00 -0.02 0.00 0.00 57.16 58.33 2kj1 n GLU 52 Cb 0.84 -1.03 0.80 0.00 -0.02 0.00 0.00 31.44 32.04 2kj1 n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2kj1 n VAL 53 N -1.73 -0.02 0.04 2.62 0.31 -0.95 0.40 118.33 119.00 2kj1 n VAL 53 Ca 0.00 1.50 -0.02 0.00 -0.01 0.00 0.00 64.34 65.81 2kj1 n VAL 53 Cb 0.00 -2.49 -0.01 0.00 -0.91 0.00 0.00 33.84 30.43 2kj1 n VAL 53 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2kj1 h SER 54 N 0.00 -0.09 0.01 4.52 0.87 -0.02 -2.47 113.55 116.37 2kj1 h SER 54 Ca 0.93 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.49 2kj1 h SER 54 Cb 3.67 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 65.66 2kj1 h SER 54 CO -0.05 -0.03 0.00 -0.38 -0.53 0.00 0.00 176.83 175.84 2kj1 n ILE 55 N -2.44 1.25 0.01 2.23 5.41 -0.19 -1.55 119.36 124.07 2kj1 n ILE 55 Ca -0.01 0.68 -0.13 0.00 1.00 0.00 0.00 62.75 64.29 2kj1 n ILE 55 Cb 0.04 -1.68 -0.09 0.00 -0.71 0.00 0.00 39.64 37.19 2kj1 n ILE 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2kj1 h LEU 56 N 0.00 -0.05 -0.59 1.39 7.12 0.09 -1.77 115.31 121.51 2kj1 h LEU 56 Ca 0.00 -0.39 -0.05 0.00 0.13 0.00 0.00 57.88 57.57 2kj1 h LEU 56 Cb 0.00 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 2kj1 h LEU 56 CO 0.00 0.38 0.18 0.03 -0.13 0.00 0.00 178.44 178.89 2kj1 h ARG 57 N -0.48 0.92 -0.78 1.25 2.47 -0.81 -2.04 114.38 114.91 2kj1 h ARG 57 Ca -0.01 -0.20 0.08 0.00 -1.26 0.00 0.00 59.98 58.60 2kj1 h ARG 57 Cb 0.44 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 2kj1 h ARG 57 CO 0.01 0.83 0.51 1.25 0.56 0.00 0.00 179.97 183.13 2kj1 h HIS 58 N 0.83 0.79 0.82 3.04 2.76 -1.45 -1.18 115.15 120.76 2kj1 h HIS 58 Ca 0.19 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2kj1 h HIS 58 Cb 0.30 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.01 2kj1 h HIS 58 CO 0.02 0.39 -0.40 0.66 -1.30 0.00 0.00 177.93 177.30 2kj1 h SER 59 N 0.76 -0.94 -0.85 3.26 4.64 -0.62 -2.81 113.55 116.99 2kj1 h SER 59 Ca 0.35 0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.89 2kj1 h SER 59 Cb 0.37 0.24 -0.16 0.00 -0.31 0.00 0.00 62.40 62.55 2kj1 h SER 59 CO -0.13 -0.60 -0.11 0.22 -0.87 0.00 0.00 176.83 175.33 2kj1 h TYR 60 N -1.24 -0.28 -0.54 4.77 3.20 -0.96 0.16 116.97 122.09 2kj1 h TYR 60 Ca -0.11 0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.91 2kj1 h TYR 60 Cb 0.85 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 39.27 2kj1 h TYR 60 CO 0.01 -0.35 -0.43 0.37 -1.64 0.00 0.00 178.16 176.12 2kj1 h GLN 61 N 0.03 -0.24 -0.97 1.82 -0.00 -1.02 0.37 115.11 115.10 2kj1 h GLN 61 Ca 0.45 0.02 0.15 0.00 -0.00 0.00 0.00 58.65 59.26 2kj1 h GLN 61 Cb 0.76 0.05 -0.08 0.00 0.00 0.00 0.00 27.48 28.21 2kj1 h GLN 61 CO -0.83 -0.16 0.61 0.87 0.00 0.00 0.00 178.83 179.32 2kj1 h LYS 62 N -0.25 0.81 0.96 1.69 1.57 -0.44 -0.94 116.57 119.97 2kj1 h LYS 62 Ca 0.17 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2kj1 h LYS 62 Cb 0.57 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.70 2kj1 h LYS 62 CO -0.66 0.54 -0.46 0.93 -0.57 0.00 0.00 179.45 179.22 2kj1 h GLU 63 N 0.84 -1.25 -0.39 3.15 5.08 0.15 0.01 114.58 122.17 2kj1 h GLU 63 Ca 0.50 0.09 0.08 0.00 -1.00 0.00 0.00 59.36 59.02 2kj1 h GLU 63 Cb 0.67 0.28 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 2kj1 h GLU 63 CO -0.27 -0.83 -0.06 0.97 -1.00 0.00 0.00 179.01 177.82 2kj1 h ILE 64 N -1.35 0.65 -1.00 3.13 2.10 -0.92 0.62 117.51 120.74 2kj1 h ILE 64 Ca -0.13 -0.01 0.24 0.00 1.08 0.00 0.00 64.86 66.03 2kj1 h ILE 64 Cb 0.99 0.60 -0.08 0.00 -1.09 0.00 0.00 36.82 37.24 2kj1 h ILE 64 CO 0.22 0.01 0.65 1.56 -1.08 0.00 0.00 178.15 179.50 2kj1 h GLN 65 N 0.04 0.41 0.53 2.19 1.08 -1.03 -0.39 115.11 117.94 2kj1 h GLN 65 Ca 0.19 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2kj1 h GLN 65 Cb 0.28 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2kj1 h GLN 65 CO -0.37 0.27 -0.42 0.00 -0.95 0.00 0.00 178.83 177.37 2kj1 h ALA 66 N 1.61 -1.14 -1.42 3.87 0.00 0.23 -0.90 119.26 121.51 2kj1 h ALA 66 Ca 0.55 -0.18 0.48 0.00 0.00 0.00 0.00 54.91 55.76 2kj1 h ALA 66 Cb 1.36 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 2kj1 h ALA 66 CO -0.26 -1.14 0.92 0.87 0.00 0.00 0.00 179.25 179.64 2kj1 h LYS 67 N -0.91 0.02 -0.29 0.00 1.57 -0.64 2.44 116.57 118.76 2kj1 h LYS 67 Ca -0.07 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2kj1 h LYS 67 Cb 0.76 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2kj1 h LYS 67 CO 0.01 0.01 -0.21 0.93 -0.57 0.00 0.00 179.45 179.62 2kj1 h GLU 68 N 0.02 0.55 0.02 3.15 5.08 -0.88 -1.63 114.58 120.89 2kj1 h GLU 68 Ca 0.88 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 59.04 2kj1 h GLU 68 Cb 2.86 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.08 2kj1 h GLU 68 CO -0.42 0.73 -0.01 1.79 -1.00 0.00 0.00 179.01 180.09 2kj1 h THR 69 N 0.49 0.00 -1.13 1.13 1.35 0.45 -2.83 112.91 112.37 2kj1 h THR 69 Ca 0.08 -0.80 0.39 0.00 -0.55 0.00 0.00 66.41 65.53 2kj1 h THR 69 Cb 0.64 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.91 2kj1 h THR 69 CO 0.05 0.00 0.67 0.24 -0.25 0.00 0.00 175.52 176.23 2kj1 h MET 70 N -0.83 0.14 0.56 4.72 2.86 -1.02 0.14 114.93 121.50 2kj1 h MET 70 Ca -0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2kj1 h MET 70 Cb 0.02 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.66 2kj1 h MET 70 CO 0.00 0.09 -0.27 0.87 1.06 0.00 0.00 176.91 178.67 2kj1 h LYS 71 N 0.14 -0.72 -0.92 1.72 1.57 -1.38 -2.71 116.57 114.26 2kj1 h LYS 71 Ca 0.80 0.05 0.23 0.00 -1.87 0.00 0.00 60.65 59.85 2kj1 h LYS 71 Cb 2.18 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 34.53 2kj1 h LYS 71 CO -0.57 -0.44 0.45 0.93 -0.57 0.00 0.00 179.45 179.25 2kj1 h GLU 72 N -1.13 0.44 0.00 3.15 3.07 -0.58 -1.97 114.58 117.56 2kj1 h GLU 72 Ca -0.08 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2kj1 h GLU 72 Cb 0.62 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2kj1 h GLU 72 CO 0.13 0.29 0.00 0.28 -1.40 0.00 0.00 179.01 178.31 2kj1 n VAL 73 N -4.99 0.00 -0.31 3.13 0.31 0.20 -2.28 118.33 114.40 2kj1 n VAL 73 Ca 0.23 1.21 0.29 0.00 -0.01 0.00 0.00 64.34 66.06 2kj1 n VAL 73 Cb 0.68 -2.07 0.54 0.00 -0.91 0.00 0.00 33.84 32.07 2kj1 n VAL 73 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kj1 n LEU 74 N -1.31 0.30 -0.28 7.52 4.77 -1.02 0.28 117.00 127.26 2kj1 n LEU 74 Ca 0.00 1.59 0.07 0.00 -0.03 0.00 0.00 56.01 57.63 2kj1 n LEU 74 Cb 0.00 -0.76 0.21 0.00 -2.33 0.00 0.00 43.42 40.54 2kj1 n LEU 74 CO 0.00 -1.77 1.07 0.28 -1.33 0.00 0.00 177.39 175.65 2kj1 h SER 75 N 0.00 0.44 0.37 -1.43 0.02 -0.96 0.36 113.55 112.35 2kj1 h SER 75 Ca 0.79 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.82 2kj1 h SER 75 Cb 2.07 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.65 2kj1 h SER 75 CO -0.75 0.18 -0.18 0.44 -1.14 0.00 0.00 176.83 175.38 2kj1 h ASP 76 N 0.56 -0.42 -1.58 3.07 3.32 0.46 -2.58 116.42 119.23 2kj1 h ASP 76 Ca 0.45 0.01 0.46 0.00 0.02 0.00 0.00 57.03 57.97 2kj1 h ASP 76 Cb 0.65 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 2kj1 h ASP 76 CO -0.38 -0.06 1.13 -1.13 -1.72 0.00 0.00 179.24 177.08 2kj1 h ASN 77 N -0.99 0.03 0.23 6.45 -0.73 -0.77 -0.85 115.58 118.95 2kj1 h ASN 77 Ca -0.05 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 2kj1 h ASN 77 Cb 0.38 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.99 2kj1 h ASN 77 CO 0.08 -0.01 -0.11 0.24 -0.37 0.00 0.00 177.43 177.26 2kj1 h MET 78 N 0.02 -0.30 -0.88 6.67 2.86 -0.24 -2.48 114.93 120.58 2kj1 h MET 78 Ca 0.77 0.02 0.22 0.00 -2.06 0.00 0.00 59.70 58.66 2kj1 h MET 78 Cb 3.02 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 34.61 2kj1 h MET 78 CO -0.05 -0.20 0.32 1.49 1.06 0.00 0.00 176.91 179.54 2kj1 h GLU 79 N -0.82 0.30 0.00 1.72 4.57 -0.79 0.26 114.58 119.83 2kj1 h GLU 79 Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2kj1 h GLU 79 Cb 0.24 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2kj1 h GLU 79 CO 0.05 0.20 0.00 0.28 -1.18 0.00 0.00 179.01 178.36 2kj1 n VAL 80 N -5.12 0.00 -0.31 0.32 0.31 -0.57 -1.36 118.33 111.60 2kj1 n VAL 80 Ca 0.22 1.43 0.13 0.00 -0.01 0.00 0.00 64.34 66.10 2kj1 n VAL 80 Cb 0.66 -2.41 0.27 0.00 -0.91 0.00 0.00 33.84 31.46 2kj1 n VAL 80 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2kj1 h LEU 81 N 0.00 -0.32 -2.33 7.52 6.46 -0.92 2.08 115.31 127.80 2kj1 h LEU 81 Ca 0.00 0.24 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 2kj1 h LEU 81 Cb 0.00 0.40 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2kj1 h LEU 81 CO 0.00 -0.28 0.13 0.28 -0.62 0.00 0.00 178.44 177.95 2kj1 h SER 82 N 0.07 0.00 0.05 1.25 0.02 -0.30 -2.06 113.55 112.58 2kj1 h SER 82 Ca 0.56 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.51 2kj1 h SER 82 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2kj1 h SER 82 CO -0.81 0.00 -0.02 0.44 -1.14 0.00 0.00 176.83 175.30 2kj1 h ASP 83 N 0.00 -0.05 0.35 3.07 3.32 0.47 -3.24 116.42 120.34 2kj1 h ASP 83 Ca 0.05 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2kj1 h ASP 83 Cb 0.30 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2kj1 h ASP 83 CO -0.00 0.66 0.00 1.41 -1.72 0.00 0.00 179.24 179.59 2kj1 n HIS 84 N -4.77 0.57 -1.54 4.55 8.25 -0.88 -4.49 115.22 116.91 2kj1 n HIS 84 Ca -0.08 0.26 -0.13 0.00 -0.26 0.00 0.00 57.72 57.50 2kj1 n HIS 84 Cb 0.33 -0.92 -0.10 0.00 1.12 0.00 0.00 29.99 30.42 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 -2.05 0.00 -1.33 1.59 3.06 -0.83 -4.86 119.36 114.94 2kj1 n ILE 85 Ca 0.01 -0.25 -0.37 0.00 -2.50 0.00 0.00 62.75 59.64 2kj1 n ILE 85 Cb 0.12 -1.84 0.06 0.00 0.54 0.00 0.00 39.64 38.53 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2kj1 n VAL 86 N 8.66 1.95 -3.48 9.51 0.31 -1.26 -5.00 118.33 129.02 2kj1 n VAL 86 Ca 0.43 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 2kj1 n VAL 86 Cb 0.44 -0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 32.63 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 -1.85 0.00 0.33 2.52 -4.36 -1.23 -4.32 121.20 112.29 2kj1 s ILE 87 Ca 0.66 -0.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.98 2kj1 s ILE 87 Cb -0.38 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.25 2kj1 s ILE 87 CO 0.57 0.00 0.00 1.21 0.24 0.00 0.00 174.94 176.96 2kj1 n GLU 88 N -0.34 -4.59 0.00 0.37 0.00 -1.26 -4.27 120.64 110.54 2kj1 n GLU 88 Ca -0.13 3.31 0.00 0.00 0.00 0.00 0.00 57.16 60.34 2kj1 n GLU 88 Cb 0.63 -3.72 0.00 0.00 0.00 0.00 0.00 31.44 28.35 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kj1 n GLY 89 N 0.62 1.11 2.98 8.31 0.00 -1.26 -4.81 105.19 112.14 2kj1 n GLY 89 Ca 0.00 0.00 -0.23 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 1.53 -0.20 0.99 0.20 -1.26 -5.13 118.68 114.81 2kj1 s LEU 90 Ca 0.00 -0.25 -0.10 0.00 0.69 0.00 0.00 54.13 54.47 2kj1 s LEU 90 Cb 0.00 -0.71 -0.05 0.00 -0.43 0.00 0.00 46.19 45.00 2kj1 s LEU 90 CO 0.00 0.00 0.15 -0.55 -0.29 0.00 0.00 176.35 175.66 2kj1 s SER 91 N 0.78 6.23 0.43 3.68 0.15 -1.26 -3.53 113.70 120.17 2kj1 s SER 91 Ca -0.13 0.25 0.37 0.00 0.70 0.00 0.00 55.95 57.14 2kj1 s SER 91 Cb -0.15 -2.10 1.36 0.00 -1.71 0.00 0.00 66.02 63.41 2kj1 s SER 91 CO 0.02 0.16 1.27 0.00 1.20 0.00 0.00 173.24 175.89 2kj1 n ALA 92 N 3.59 1.43 -0.26 5.45 0.00 -1.26 0.22 120.51 129.68 2kj1 n ALA 92 Ca -0.15 0.58 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 2kj1 n ALA 92 Cb 0.52 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 19.11 2kj1 n ALA 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kj1 h GLU 93 N 0.00 1.15 0.16 0.00 5.08 -1.96 0.22 114.58 119.22 2kj1 h GLU 93 Ca 0.75 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 2kj1 h GLU 93 Cb 2.86 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.96 2kj1 h GLU 93 CO -0.11 1.00 -0.08 1.49 -1.00 0.00 0.00 179.01 180.31 2kj1 h GLU 94 N 1.09 -0.21 -0.14 2.33 4.81 0.24 -0.05 114.58 122.65 2kj1 h GLU 94 Ca 0.23 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 2kj1 h GLU 94 Cb 0.36 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2kj1 h GLU 94 CO -0.00 0.17 -0.31 0.97 -0.73 0.00 0.00 179.01 179.11 2kj1 h ILE 95 N -0.63 1.27 -0.37 2.32 2.10 -1.52 -2.73 117.51 117.95 2kj1 h ILE 95 Ca -0.02 -1.27 -0.13 0.00 1.08 0.00 0.00 64.86 64.52 2kj1 h ILE 95 Cb 0.47 1.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.69 2kj1 h ILE 95 CO 0.04 0.38 -0.30 0.40 -1.08 0.00 0.00 178.15 177.59 2kj1 h ILE 96 N 0.23 1.28 0.40 2.19 1.08 -0.53 -2.36 117.51 119.80 2kj1 h ILE 96 Ca 0.03 -1.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 2kj1 h ILE 96 Cb 0.66 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.79 2kj1 h ILE 96 CO 0.05 0.48 -0.45 0.50 -0.69 0.00 0.00 178.15 178.04 2kj1 h LYS 97 N 0.65 -0.85 -0.91 2.37 3.64 -0.70 0.41 116.57 121.18 2kj1 h LYS 97 Ca 0.07 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.69 2kj1 h LYS 97 Cb 0.88 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 2kj1 h LYS 97 CO 0.08 -0.56 0.59 1.98 -2.27 0.00 0.00 179.45 179.26 2kj1 h MET 98 N -0.88 0.52 -0.00 1.90 4.05 -1.50 0.83 114.93 119.85 2kj1 h MET 98 Ca -0.04 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2kj1 h MET 98 Cb 0.79 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2kj1 h MET 98 CO -0.10 0.34 -0.03 0.41 0.23 0.00 0.00 176.91 177.77 2kj1 n GLY 99 N -1.47 -1.26 0.08 1.39 0.00 -0.27 -3.36 105.19 100.30 2kj1 n GLY 99 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2kj1 n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kj1 n GLU 100 N -1.27 0.64 0.29 1.61 1.02 0.28 -4.00 120.64 119.21 2kj1 n GLU 100 Ca 0.13 0.07 0.19 0.00 -0.02 0.00 0.00 57.16 57.53 2kj1 n GLU 100 Cb 0.26 -1.68 0.98 0.00 -0.02 0.00 0.00 31.44 30.98 2kj1 n GLU 100 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2kj1 h THR 101 N 0.00 0.00 -2.23 2.62 2.02 -1.40 -3.42 112.91 110.50 2kj1 h THR 101 Ca -0.21 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2kj1 h THR 101 Cb 1.57 1.04 -0.22 0.00 -1.74 0.00 0.00 68.15 68.80 2kj1 h THR 101 CO 0.03 0.00 -0.01 0.54 0.37 0.00 0.00 175.52 176.45 2kj1 s VAL 102 N -3.91 -0.00 -2.00 3.16 0.11 -1.26 -5.16 120.40 111.34 2kj1 s VAL 102 Ca -0.03 0.01 0.16 0.00 -2.93 0.00 0.00 61.98 59.19 2kj1 s VAL 102 Cb 0.11 -0.87 0.47 0.00 -1.53 0.00 0.00 36.38 34.56 2kj1 s VAL 102 CO 0.41 0.00 1.39 -0.11 -3.33 0.00 0.00 175.10 173.46