#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 0.97 -0.14 1.61 0.04 -1.26 -5.08 135.00 131.14 2kj1 s PRO 44 Ca 0.00 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 2kj1 s PRO 44 Cb 0.00 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.78 2kj1 s PRO 44 CO 0.00 -2.35 0.35 1.21 0.04 0.00 0.00 177.00 176.24 2kj1 s ASN 45 N -3.72 -0.40 0.63 6.66 3.84 -1.26 -5.00 114.94 115.68 2kj1 s ASN 45 Ca 0.64 0.74 0.18 0.00 0.21 0.00 0.00 52.86 54.63 2kj1 s ASN 45 Cb -0.17 0.66 0.72 0.00 -0.55 0.00 0.00 41.25 41.91 2kj1 s ASN 45 CO 0.55 -0.16 1.30 0.07 -2.79 0.00 0.00 177.10 176.07 2kj1 h LYS 46 N 6.64 0.00 0.00 0.43 2.10 -2.00 1.57 116.57 125.31 2kj1 h LYS 46 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 2kj1 h LYS 46 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kj1 h LYS 46 CO 0.31 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.69 2kj1 h GLU 47 N 0.00 0.00 0.04 0.07 4.39 -1.98 -2.31 114.58 114.79 2kj1 h GLU 47 Ca 0.27 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.75 2kj1 h GLU 47 Cb 2.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.94 2kj1 h GLU 47 CO -0.00 0.00 -1.19 1.15 -1.16 0.00 0.00 179.01 177.81 2kj1 h THR 48 N 0.00 1.04 -0.63 1.13 2.02 0.19 -2.48 112.91 114.17 2kj1 h THR 48 Ca 0.00 -2.27 -0.01 0.00 0.77 0.00 0.00 66.41 64.90 2kj1 h THR 48 Cb 0.50 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 2kj1 h THR 48 CO 0.00 0.49 0.36 0.16 0.37 0.00 0.00 175.52 176.90 2kj1 h ILE 49 N -0.74 1.19 -0.39 3.11 -0.00 -1.60 -2.03 117.51 117.05 2kj1 h ILE 49 Ca -0.30 -0.45 -0.11 0.00 -0.00 0.00 0.00 64.86 64.00 2kj1 h ILE 49 Cb 1.43 0.32 -0.01 0.00 -0.00 0.00 0.00 36.82 38.56 2kj1 h ILE 49 CO -0.09 0.20 -0.19 -1.13 -0.00 0.00 0.00 178.15 176.94 2kj1 h ASN 50 N 0.88 0.84 -0.99 2.16 -0.73 -1.54 -1.27 115.58 114.93 2kj1 h ASN 50 Ca 0.23 -0.41 0.13 0.00 1.87 0.00 0.00 56.30 58.12 2kj1 h ASN 50 Cb 0.00 -0.23 -0.08 0.00 0.27 0.00 0.00 38.32 38.27 2kj1 h ASN 50 CO -0.04 1.06 0.62 -0.09 -0.37 0.00 0.00 177.43 178.61 2kj1 h ARG 51 N 0.62 0.91 0.15 6.67 2.43 -0.88 0.61 114.38 124.88 2kj1 h ARG 51 Ca 0.09 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 58.91 2kj1 h ARG 51 Cb 0.75 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2kj1 h ARG 51 CO 0.06 0.60 -1.30 1.05 -1.51 0.00 0.00 179.97 178.87 2kj1 h GLU 52 N 0.93 0.32 -0.15 0.20 4.11 -1.35 -2.85 114.58 115.79 2kj1 h GLU 52 Ca 0.50 -0.55 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 2kj1 h GLU 52 Cb 0.56 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kj1 h GLU 52 CO -0.27 1.26 -0.47 0.28 0.07 0.00 0.00 179.01 179.89 2kj1 h VAL 53 N 0.09 1.32 0.63 -1.06 2.07 -0.20 -2.03 116.25 117.07 2kj1 h VAL 53 Ca -0.16 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 2kj1 h VAL 53 Cb 2.01 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2kj1 h VAL 53 CO 0.22 0.51 -0.30 -1.28 0.02 0.00 0.00 177.57 176.73 2kj1 h SER 54 N 0.31 -0.72 -0.72 0.57 0.87 0.13 -2.54 113.55 111.45 2kj1 h SER 54 Ca 0.02 0.01 0.21 0.00 -1.23 0.00 0.00 61.79 60.80 2kj1 h SER 54 Cb 0.94 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 2kj1 h SER 54 CO 0.08 -0.33 0.56 0.40 -0.53 0.00 0.00 176.83 177.00 2kj1 h ILE 55 N -1.20 0.54 0.14 2.23 2.04 -1.55 0.95 117.51 120.66 2kj1 h ILE 55 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2kj1 h ILE 55 Cb 0.67 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2kj1 h ILE 55 CO 0.14 0.00 -0.25 0.25 0.00 0.00 0.00 178.15 178.29 2kj1 h LEU 56 N 0.00 -0.71 -0.51 1.44 7.12 -0.96 0.23 115.31 121.93 2kj1 h LEU 56 Ca 0.34 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.52 2kj1 h LEU 56 Cb 1.45 0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 41.77 2kj1 h LEU 56 CO -0.00 -0.35 0.10 -0.09 -0.13 0.00 0.00 178.44 177.97 2kj1 h ARG 57 N -0.47 0.23 0.14 1.25 2.43 -0.51 0.20 114.38 117.65 2kj1 h ARG 57 Ca 0.02 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2kj1 h ARG 57 Cb 0.49 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2kj1 h ARG 57 CO -0.13 0.16 -0.26 1.25 -1.51 0.00 0.00 179.97 179.48 2kj1 h HIS 58 N 0.24 -0.68 -0.55 2.20 2.76 -1.07 -0.91 115.15 117.14 2kj1 h HIS 58 Ca 0.25 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.55 2kj1 h HIS 58 Cb 0.34 0.28 -0.11 0.00 1.55 0.00 0.00 27.41 29.48 2kj1 h HIS 58 CO -0.23 -0.36 -0.15 0.77 -1.30 0.00 0.00 177.93 176.66 2kj1 h SER 59 N -0.47 -0.55 -0.51 3.26 0.02 0.47 0.24 113.55 116.01 2kj1 h SER 59 Ca 0.02 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.24 2kj1 h SER 59 Cb 0.49 0.36 -0.09 0.00 0.14 0.00 0.00 62.40 63.30 2kj1 h SER 59 CO -0.13 -0.19 -0.02 0.22 -1.14 0.00 0.00 176.83 175.56 2kj1 h TYR 60 N -0.01 -0.07 -0.71 3.45 3.20 -0.19 -1.64 116.97 121.00 2kj1 h TYR 60 Ca 0.26 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.24 2kj1 h TYR 60 Cb 0.42 0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.70 2kj1 h TYR 60 CO -0.47 -0.14 -0.53 0.37 -1.64 0.00 0.00 178.16 175.75 2kj1 h GLN 61 N 0.09 -0.14 -0.82 1.82 4.15 0.81 0.58 115.11 121.61 2kj1 h GLN 61 Ca 0.26 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.89 2kj1 h GLN 61 Cb 0.39 0.03 -0.13 0.00 0.21 0.00 0.00 27.48 27.98 2kj1 h GLN 61 CO -0.44 -0.09 0.18 0.87 -1.93 0.00 0.00 178.83 177.41 2kj1 h LYS 62 N -0.14 0.20 0.04 1.69 1.57 -0.98 -0.77 116.57 118.17 2kj1 h LYS 62 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2kj1 h LYS 62 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2kj1 h LYS 62 CO -0.74 0.13 -0.15 0.93 -0.57 0.00 0.00 179.45 179.05 2kj1 h GLU 63 N 0.21 -0.21 -0.36 3.15 4.39 0.46 0.32 114.58 122.54 2kj1 h GLU 63 Ca 0.49 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.29 2kj1 h GLU 63 Cb 0.94 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.55 2kj1 h GLU 63 CO -0.62 -0.14 -0.23 0.97 -1.16 0.00 0.00 179.01 177.83 2kj1 h ILE 64 N -0.22 0.38 0.00 3.13 2.10 -0.89 1.85 117.51 123.85 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 0.22 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 2kj1 h ILE 64 CO -0.08 0.00 0.06 1.67 -1.08 0.00 0.00 178.15 178.72 2kj1 n GLN 65 N -5.38 0.00 0.01 2.19 7.27 -0.35 -0.74 117.38 120.37 2kj1 n GLN 65 Ca 0.01 0.43 -0.20 0.00 0.07 0.00 0.00 57.00 57.31 2kj1 n GLN 65 Cb 0.30 -1.56 -0.14 0.00 2.41 0.00 0.00 30.24 31.25 2kj1 n GLN 65 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kj1 h ALA 66 N 1.76 0.02 -0.25 1.69 0.00 0.68 -2.84 119.26 120.32 2kj1 h ALA 66 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 54.91 54.15 2kj1 h ALA 66 Cb 0.12 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kj1 h ALA 66 CO 0.00 0.49 0.18 -0.22 0.00 0.00 0.00 179.25 179.70 2kj1 h LYS 67 N -0.47 0.01 0.41 0.00 3.64 -0.42 0.63 116.57 120.37 2kj1 h LYS 67 Ca -0.19 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2kj1 h LYS 67 Cb 1.58 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2kj1 h LYS 67 CO 0.08 0.00 -0.20 0.93 -2.27 0.00 0.00 179.45 178.00 2kj1 h GLU 68 N 0.01 -0.53 -0.27 1.90 5.08 -1.50 0.40 114.58 119.67 2kj1 h GLU 68 Ca 0.12 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2kj1 h GLU 68 Cb 0.47 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2kj1 h GLU 68 CO -0.00 -0.35 0.29 1.15 -1.00 0.00 0.00 179.01 179.09 2kj1 h THR 69 N -0.78 0.45 0.02 1.13 2.02 -1.21 -1.69 112.91 112.85 2kj1 h THR 69 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2kj1 h THR 69 Cb 0.42 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2kj1 h THR 69 CO 0.09 0.00 -0.01 0.24 0.37 0.00 0.00 175.52 176.21 2kj1 h MET 70 N 0.00 -0.03 -0.18 6.66 2.86 -0.73 -2.79 114.93 120.72 2kj1 h MET 70 Ca 0.13 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2kj1 h MET 70 Cb 0.70 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2kj1 h MET 70 CO -0.00 0.68 0.50 -0.22 1.06 0.00 0.00 176.91 178.93 2kj1 h LYS 71 N -0.94 0.00 0.03 1.72 3.64 0.69 0.51 116.57 122.22 2kj1 h LYS 71 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kj1 h LYS 71 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2kj1 h LYS 71 CO 0.00 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.10 2kj1 h GLU 72 N 0.00 -0.04 -1.23 1.90 5.08 -1.33 -2.55 114.58 116.40 2kj1 h GLU 72 Ca 0.09 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.80 2kj1 h GLU 72 Cb 1.09 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 2kj1 h GLU 72 CO -0.00 0.51 0.86 0.28 -1.00 0.00 0.00 179.01 179.66 2kj1 h VAL 73 N -0.96 0.37 0.00 3.13 2.07 -0.63 0.58 116.25 120.82 2kj1 h VAL 73 Ca -0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2kj1 h VAL 73 Cb 0.58 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2kj1 h VAL 73 CO 0.01 0.02 -0.00 -0.07 0.02 0.00 0.00 177.57 177.54 2kj1 h LEU 74 N 0.10 -0.00 -1.12 2.57 3.38 -1.49 -0.94 115.31 117.81 2kj1 h LEU 74 Ca 0.63 -0.90 0.29 0.00 0.09 0.00 0.00 57.88 57.98 2kj1 h LEU 74 Cb 2.25 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.87 2kj1 h LEU 74 CO -0.11 0.91 0.62 0.28 0.09 0.00 0.00 178.44 180.23 2kj1 h SER 75 N -0.93 0.55 0.17 -0.43 0.02 -0.49 0.41 113.55 112.85 2kj1 h SER 75 Ca -0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2kj1 h SER 75 Cb 0.90 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2kj1 h SER 75 CO 0.00 0.01 -0.08 0.44 -1.14 0.00 0.00 176.83 176.06 2kj1 h ASP 76 N 0.43 -0.19 -0.78 3.07 3.32 -1.27 -2.30 116.42 118.70 2kj1 h ASP 76 Ca 0.67 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.87 2kj1 h ASP 76 Cb 1.52 0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.97 2kj1 h ASP 76 CO -0.47 0.17 -0.28 -1.13 -1.72 0.00 0.00 179.24 175.81 2kj1 h ASN 77 N -0.83 -1.02 0.25 6.45 -1.24 -0.38 0.69 115.58 119.51 2kj1 h ASN 77 Ca -0.02 0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2kj1 h ASN 77 Cb 0.17 0.58 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 2kj1 h ASN 77 CO 0.04 -0.28 -0.29 0.24 -1.29 0.00 0.00 177.43 175.85 2kj1 h MET 78 N -0.05 -0.56 -0.93 6.67 2.86 -0.32 -1.72 114.93 120.88 2kj1 h MET 78 Ca 0.33 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 58.19 2kj1 h MET 78 Cb 0.58 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.20 2kj1 h MET 78 CO -0.82 -0.38 -0.26 1.49 1.06 0.00 0.00 176.91 178.01 2kj1 h GLU 79 N -0.58 -0.01 -0.72 1.72 4.22 -0.29 0.95 114.58 119.87 2kj1 h GLU 79 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 2kj1 h GLU 79 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2kj1 h GLU 79 CO -0.08 -0.00 0.36 0.28 -2.18 0.00 0.00 179.01 177.38 2kj1 h VAL 80 N -0.01 1.23 0.67 0.32 2.07 -0.93 0.07 116.25 119.67 2kj1 h VAL 80 Ca 0.42 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2kj1 h VAL 80 Cb 0.66 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2kj1 h VAL 80 CO -0.95 0.27 -0.32 0.25 0.02 0.00 0.00 177.57 176.84 2kj1 h LEU 81 N 1.01 -0.76 0.00 2.57 5.85 0.15 -2.56 115.31 121.57 2kj1 h LEU 81 Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2kj1 h LEU 81 Cb 0.11 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2kj1 h LEU 81 CO -0.03 -0.43 0.00 -1.20 -0.34 0.00 0.00 178.44 176.44 2kj1 n SER 82 N -5.08 0.00 0.01 1.25 7.64 0.21 -2.23 113.62 115.42 2kj1 n SER 82 Ca -0.11 0.46 -0.02 0.00 1.01 0.00 0.00 58.87 60.20 2kj1 n SER 82 Cb 0.36 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.11 0.51 6.43 3.32 -0.56 -3.37 116.42 122.63 2kj1 h ASP 83 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2kj1 h ASP 83 Cb 0.00 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2kj1 h ASP 83 CO 0.00 0.31 -0.33 0.45 -1.72 0.00 0.00 179.24 177.95 2kj1 h HIS 84 N -0.91 -0.86 -1.88 4.55 3.86 -1.28 -3.48 115.15 115.15 2kj1 h HIS 84 Ca -0.01 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.32 2kj1 h HIS 84 Cb 0.10 0.31 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 2kj1 h HIS 84 CO 0.00 -0.50 -0.37 1.51 0.86 0.00 0.00 177.93 179.43 2kj1 n ILE 85 N -5.46 -0.12 -1.97 2.45 0.13 -0.95 -4.40 119.36 109.04 2kj1 n ILE 85 Ca -0.12 0.23 -0.42 0.00 -1.10 0.00 0.00 62.75 61.34 2kj1 n ILE 85 Cb 0.36 -0.41 -0.03 0.00 -0.84 0.00 0.00 39.64 38.72 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2kj1 s VAL 86 N -3.66 3.52 0.00 9.51 0.11 -1.26 -3.90 120.40 124.72 2kj1 s VAL 86 Ca 0.00 0.62 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 2kj1 s VAL 86 Cb 0.00 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.41 2kj1 s VAL 86 CO 0.00 -0.09 -0.09 -0.51 -3.33 0.00 0.00 175.10 171.08 2kj1 s ILE 87 N 4.42 0.73 0.05 7.04 2.07 -1.14 -4.79 121.20 129.58 2kj1 s ILE 87 Ca 0.76 -0.48 -0.32 0.00 -1.41 0.00 0.00 60.65 59.20 2kj1 s ILE 87 Cb -0.33 -0.63 -0.11 0.00 0.13 0.00 0.00 42.46 41.53 2kj1 s ILE 87 CO 0.31 0.14 1.86 -0.62 -1.91 0.00 0.00 174.94 174.72 2kj1 n GLU 88 N 2.68 2.59 0.00 3.50 4.71 -1.26 0.23 120.64 133.10 2kj1 n GLU 88 Ca -0.14 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 57.95 2kj1 n GLU 88 Cb 0.57 -2.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.16 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kj1 n GLY 89 N 4.27 3.03 2.59 0.62 0.00 -1.26 -4.72 105.19 109.73 2kj1 n GLY 89 Ca 0.20 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 2.93 -4.60 0.99 -0.00 0.94 -4.99 117.00 112.26 2kj1 n LEU 90 Ca 0.00 -5.20 -0.43 0.00 -0.00 0.00 0.00 56.01 50.38 2kj1 n LEU 90 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2kj1 n LEU 90 CO 0.00 2.24 1.84 -0.55 -0.00 0.00 0.00 177.39 180.92 2kj1 s SER 91 N -3.08 5.49 0.46 1.96 0.15 0.64 -2.87 113.70 116.45 2kj1 s SER 91 Ca 0.44 1.90 0.29 0.00 0.70 0.00 0.00 55.95 59.28 2kj1 s SER 91 Cb 0.34 -2.51 1.37 0.00 -1.71 0.00 0.00 66.02 63.51 2kj1 s SER 91 CO -0.11 -1.93 1.71 0.00 1.20 0.00 0.00 173.24 174.11 2kj1 h ALA 92 N 14.89 2.75 0.36 5.45 0.00 -1.81 -0.93 119.26 139.97 2kj1 h ALA 92 Ca -0.41 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2kj1 h ALA 92 Cb 1.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kj1 h ALA 92 CO 0.96 -1.24 -0.17 0.93 0.00 0.00 0.00 179.25 179.73 2kj1 h GLU 93 N 0.16 -0.46 -0.98 0.00 4.39 -1.92 -1.77 114.58 114.00 2kj1 h GLU 93 Ca 0.70 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.57 2kj1 h GLU 93 Cb 2.25 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 30.85 2kj1 h GLU 93 CO -0.25 -0.31 -0.43 1.49 -1.16 0.00 0.00 179.01 178.36 2kj1 h GLU 94 N -0.70 -0.01 0.30 2.33 4.57 -1.57 0.92 114.58 120.41 2kj1 h GLU 94 Ca -0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2kj1 h GLU 94 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2kj1 h GLU 94 CO 0.08 -0.01 -0.19 0.97 -1.18 0.00 0.00 179.01 178.68 2kj1 h ILE 95 N -0.01 0.60 -0.72 2.32 2.10 -1.45 -0.34 117.51 120.00 2kj1 h ILE 95 Ca 0.31 0.00 0.11 0.00 1.08 0.00 0.00 64.86 66.36 2kj1 h ILE 95 Cb 0.56 0.60 -0.12 0.00 -1.09 0.00 0.00 36.82 36.77 2kj1 h ILE 95 CO -0.97 0.00 -0.41 0.40 -1.08 0.00 0.00 178.15 176.09 2kj1 h ILE 96 N -0.47 0.08 0.84 2.19 2.04 0.05 -1.27 117.51 120.96 2kj1 h ILE 96 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2kj1 h ILE 96 Cb 0.40 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2kj1 h ILE 96 CO 0.02 0.00 -0.44 0.50 0.00 0.00 0.00 178.15 178.23 2kj1 h LYS 97 N -0.13 -1.13 -0.86 2.37 3.64 -0.86 -2.13 116.57 117.45 2kj1 h LYS 97 Ca 0.24 0.08 0.20 0.00 -1.27 0.00 0.00 60.65 59.89 2kj1 h LYS 97 Cb 0.56 0.26 -0.16 0.00 -0.41 0.00 0.00 32.23 32.47 2kj1 h LYS 97 CO -0.79 -0.75 -0.13 -1.33 -2.27 0.00 0.00 179.45 174.18 2kj1 n MET 98 N -5.60 -0.07 0.24 1.90 2.81 -0.16 0.30 117.12 116.53 2kj1 n MET 98 Ca -0.15 1.33 0.13 0.00 -1.81 0.00 0.00 57.70 57.19 2kj1 n MET 98 Cb 0.48 -2.03 0.44 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.59 3.03 0.00 -1.09 -2.94 103.07 103.66 2kj1 h GLY 99 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 2kj1 h GLY 99 CO -0.86 0.00 -0.20 -2.09 0.00 0.00 0.00 176.54 173.39 2kj1 h GLU 100 N 0.00 0.48 -0.28 4.80 4.57 0.53 1.45 114.58 126.13 2kj1 h GLU 100 Ca -0.00 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 57.89 2kj1 h GLU 100 Cb 0.78 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 2kj1 h GLU 100 CO 0.01 0.66 -0.33 1.15 -1.18 0.00 0.00 179.01 179.33 2kj1 h THR 101 N 0.44 1.28 -1.56 0.32 2.02 -1.20 -3.36 112.91 110.85 2kj1 h THR 101 Ca 0.07 -1.45 -0.44 0.00 0.77 0.00 0.00 66.41 65.36 2kj1 h THR 101 Cb 0.59 1.42 -0.34 0.00 -1.74 0.00 0.00 68.15 68.08 2kj1 h THR 101 CO 0.04 0.46 -1.02 1.33 0.37 0.00 0.00 175.52 176.71 2kj1 n VAL 102 N -4.07 -0.25 0.00 3.16 0.24 -0.99 -5.15 118.33 111.26 2kj1 n VAL 102 Ca -0.01 -3.79 0.00 0.00 -2.04 0.00 0.00 64.34 58.50 2kj1 n VAL 102 Cb 0.47 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58