#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 -1.14 -3.62 1.61 -0.02 -1.26 -5.03 135.00 125.53 2kj1 n PRO 44 Ca 0.00 -0.31 -0.02 0.00 -2.02 0.00 0.00 63.50 61.15 2kj1 n PRO 44 Cb 0.00 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.85 -0.04 0.66 2.55 3.84 -1.26 -4.97 114.94 113.86 2kj1 s ASN 45 Ca 0.55 -0.01 0.02 0.00 0.21 0.00 0.00 52.86 53.64 2kj1 s ASN 45 Cb -0.14 0.05 0.09 0.00 -0.55 0.00 0.00 41.25 40.70 2kj1 s ASN 45 CO 0.67 -0.08 1.04 0.50 -2.79 0.00 0.00 177.10 176.44 2kj1 h LYS 46 N 2.00 0.00 0.00 0.43 3.64 -2.01 1.13 116.57 121.77 2kj1 h LYS 46 Ca -0.07 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2kj1 h LYS 46 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2kj1 h LYS 46 CO 0.21 0.00 -0.37 1.49 -2.27 0.00 0.00 179.45 178.51 2kj1 h GLU 47 N 0.00 0.00 0.08 1.90 4.57 -1.98 -2.51 114.58 116.64 2kj1 h GLU 47 Ca 0.02 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.06 2kj1 h GLU 47 Cb 2.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.60 2kj1 h GLU 47 CO -0.00 0.37 -0.68 1.15 -1.18 0.00 0.00 179.01 178.66 2kj1 h THR 48 N 0.00 1.49 -0.94 0.32 2.02 0.95 -2.51 112.91 114.24 2kj1 h THR 48 Ca -0.00 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 2kj1 h THR 48 Cb 0.92 3.12 -0.04 0.00 -1.74 0.00 0.00 68.15 70.41 2kj1 h THR 48 CO 0.05 0.65 0.55 0.16 0.37 0.00 0.00 175.52 177.30 2kj1 h ILE 49 N -0.61 1.26 -0.83 3.11 -0.00 -1.62 -1.94 117.51 116.89 2kj1 h ILE 49 Ca -0.14 -0.59 -0.03 0.00 -0.00 0.00 0.00 64.86 64.11 2kj1 h ILE 49 Cb 1.43 -0.04 -0.04 0.00 -0.00 0.00 0.00 36.82 38.17 2kj1 h ILE 49 CO 0.06 0.28 0.42 -1.13 -0.00 0.00 0.00 178.15 177.78 2kj1 h ASN 50 N 1.30 1.06 -0.54 2.16 -0.00 -1.53 -0.21 115.58 117.81 2kj1 h ASN 50 Ca 0.33 -0.12 0.03 0.00 -0.00 0.00 0.00 56.30 56.54 2kj1 h ASN 50 Cb -0.03 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 37.99 2kj1 h ASN 50 CO -0.06 0.88 0.36 -0.09 -0.00 0.00 0.00 177.43 178.53 2kj1 h ARG 51 N 1.16 0.60 -0.07 6.67 2.43 -0.89 0.70 114.38 124.99 2kj1 h ARG 51 Ca 0.29 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2kj1 h ARG 51 Cb 0.09 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2kj1 h ARG 51 CO -0.04 0.40 -0.25 1.49 -1.51 0.00 0.00 179.97 180.06 2kj1 h GLU 52 N 0.62 0.29 0.00 0.20 4.81 -0.85 -2.83 114.58 116.82 2kj1 h GLU 52 Ca 0.22 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kj1 h GLU 52 Cb 0.10 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2kj1 h GLU 52 CO -0.06 0.85 -0.02 0.28 -0.73 0.00 0.00 179.01 179.33 2kj1 h VAL 53 N -0.22 0.06 0.45 0.32 2.07 -0.39 -2.10 116.25 116.44 2kj1 h VAL 53 Ca -0.01 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2kj1 h VAL 53 Cb 0.89 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2kj1 h VAL 53 CO 0.05 0.02 -0.21 0.77 0.02 0.00 0.00 177.57 178.22 2kj1 h SER 54 N 0.00 -0.51 -0.56 0.57 4.64 0.48 -2.78 113.55 115.39 2kj1 h SER 54 Ca -0.00 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kj1 h SER 54 Cb 0.59 0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 2kj1 h SER 54 CO 0.00 -0.08 0.37 -0.29 -0.87 0.00 0.00 176.83 175.97 2kj1 h ILE 55 N -1.12 1.12 -0.21 0.95 2.10 -1.52 -2.55 117.51 116.28 2kj1 h ILE 55 Ca -0.06 -0.25 0.04 0.00 1.08 0.00 0.00 64.86 65.67 2kj1 h ILE 55 Cb 0.50 0.33 -0.07 0.00 -1.09 0.00 0.00 36.82 36.49 2kj1 h ILE 55 CO 0.10 0.13 -0.53 0.25 -1.08 0.00 0.00 178.15 177.02 2kj1 h LEU 56 N 0.73 -1.72 -0.81 2.19 7.12 -1.34 0.50 115.31 121.99 2kj1 h LEU 56 Ca 0.21 0.21 0.08 0.00 0.13 0.00 0.00 57.88 58.52 2kj1 h LEU 56 Cb -0.03 0.68 -0.07 0.00 -0.53 0.00 0.00 40.66 40.72 2kj1 h LEU 56 CO -0.05 -0.46 0.47 -0.09 -0.13 0.00 0.00 178.44 178.18 2kj1 h ARG 57 N -0.52 0.79 0.49 1.25 2.43 -1.17 -2.18 114.38 115.46 2kj1 h ARG 57 Ca 0.05 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2kj1 h ARG 57 Cb 0.66 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2kj1 h ARG 57 CO -0.48 0.52 -0.23 1.25 -1.51 0.00 0.00 179.97 179.52 2kj1 h HIS 58 N 0.81 -0.60 -0.77 2.20 2.76 -0.74 -2.66 115.15 116.15 2kj1 h HIS 58 Ca 0.38 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.71 2kj1 h HIS 58 Cb 0.29 0.20 -0.13 0.00 1.55 0.00 0.00 27.41 29.32 2kj1 h HIS 58 CO -0.06 -0.36 0.05 0.77 -1.30 0.00 0.00 177.93 177.03 2kj1 h SER 59 N -0.68 -0.26 0.11 3.26 0.02 0.38 -1.08 113.55 115.29 2kj1 h SER 59 Ca -0.07 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2kj1 h SER 59 Cb 0.51 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 2kj1 h SER 59 CO 0.11 -0.16 -0.41 0.22 -1.14 0.00 0.00 176.83 175.45 2kj1 h TYR 60 N 0.13 -1.18 -0.30 3.45 3.20 -1.08 -0.99 116.97 120.20 2kj1 h TYR 60 Ca 0.43 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.36 2kj1 h TYR 60 Cb 0.77 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2kj1 h TYR 60 CO -0.38 -0.46 -0.23 1.96 -1.64 0.00 0.00 178.16 177.41 2kj1 h GLN 61 N -0.59 -0.06 -0.95 1.82 4.20 -0.92 0.32 115.11 118.94 2kj1 h GLN 61 Ca -0.01 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.99 2kj1 h GLN 61 Cb 0.59 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.23 2kj1 h GLN 61 CO -0.21 -0.04 0.40 -0.22 -0.67 0.00 0.00 178.83 178.09 2kj1 h LYS 62 N -0.06 0.24 0.43 1.46 3.64 -1.22 -0.58 116.57 120.47 2kj1 h LYS 62 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2kj1 h LYS 62 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2kj1 h LYS 62 CO -0.31 0.16 -0.22 0.93 -2.27 0.00 0.00 179.45 177.74 2kj1 h GLU 63 N 0.24 -0.57 -0.57 1.90 4.39 0.99 0.72 114.58 121.70 2kj1 h GLU 63 Ca 0.65 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.51 2kj1 h GLU 63 Cb 1.43 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 30.11 2kj1 h GLU 63 CO -0.65 -0.38 -0.13 0.97 -1.16 0.00 0.00 179.01 177.66 2kj1 h ILE 64 N -0.59 0.44 -0.08 3.13 2.10 -0.54 -0.36 117.51 121.62 2kj1 h ILE 64 Ca -0.06 -0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.91 2kj1 h ILE 64 Cb 0.46 0.43 -0.06 0.00 -1.09 0.00 0.00 36.82 36.56 2kj1 h ILE 64 CO 0.09 0.00 -0.43 1.56 -1.08 0.00 0.00 178.15 178.29 2kj1 h GLN 65 N 0.01 -0.52 -1.06 2.19 1.08 -1.01 0.12 115.11 115.92 2kj1 h GLN 65 Ca 0.27 0.04 0.32 0.00 -1.45 0.00 0.00 58.65 57.83 2kj1 h GLN 65 Cb 0.42 0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 27.84 2kj1 h GLN 65 CO -0.57 -0.34 0.63 0.00 -0.95 0.00 0.00 178.83 177.60 2kj1 h ALA 66 N 0.02 2.09 -0.55 3.87 0.00 0.83 2.12 119.26 127.64 2kj1 h ALA 66 Ca 0.06 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2kj1 h ALA 66 Cb 0.64 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2kj1 h ALA 66 CO -0.37 -0.65 0.37 -0.22 0.00 0.00 0.00 179.25 178.38 2kj1 h LYS 67 N 0.34 0.60 0.21 0.00 3.64 0.10 -1.72 116.57 119.73 2kj1 h LYS 67 Ca 0.71 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 60.04 2kj1 h LYS 67 Cb 1.71 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2kj1 h LYS 67 CO -0.50 0.40 -0.10 0.93 -2.27 0.00 0.00 179.45 177.90 2kj1 h GLU 68 N 0.62 -0.27 0.00 1.90 5.08 0.39 -1.62 114.58 120.67 2kj1 h GLU 68 Ca 0.23 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2kj1 h GLU 68 Cb 0.13 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kj1 h GLU 68 CO -0.06 -0.05 0.03 1.15 -1.00 0.00 0.00 179.01 179.07 2kj1 h THR 69 N -0.44 0.00 0.02 1.13 2.02 -1.03 -2.10 112.91 112.51 2kj1 h THR 69 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2kj1 h THR 69 Cb 0.34 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2kj1 h THR 69 CO 0.05 0.00 -0.01 0.24 0.37 0.00 0.00 175.52 176.17 2kj1 h MET 70 N 0.00 -0.03 -0.44 6.66 2.86 -0.47 -2.57 114.93 120.95 2kj1 h MET 70 Ca 0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 2kj1 h MET 70 Cb 0.06 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2kj1 h MET 70 CO 0.00 0.70 0.36 -0.22 1.06 0.00 0.00 176.91 178.81 2kj1 h LYS 71 N -0.88 0.00 0.19 1.72 1.63 -0.68 -1.46 116.57 117.08 2kj1 h LYS 71 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2kj1 h LYS 71 Cb 0.74 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 2kj1 h LYS 71 CO 0.01 0.00 -0.09 0.93 -3.45 0.00 0.00 179.45 176.84 2kj1 h GLU 72 N 0.00 -0.25 -1.17 1.90 4.39 -1.44 -1.31 114.58 116.70 2kj1 h GLU 72 Ca 0.21 0.02 0.34 0.00 0.34 0.00 0.00 59.36 60.26 2kj1 h GLU 72 Cb 0.94 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.59 2kj1 h GLU 72 CO -0.00 0.15 0.83 0.28 -1.16 0.00 0.00 179.01 179.11 2kj1 h VAL 73 N -0.86 0.41 0.07 3.13 2.07 -0.85 -0.08 116.25 120.14 2kj1 h VAL 73 Ca -0.03 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 2kj1 h VAL 73 Cb 0.51 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2kj1 h VAL 73 CO 0.04 0.01 -0.71 -0.07 0.02 0.00 0.00 177.57 176.86 2kj1 h LEU 74 N 0.05 0.22 -1.71 2.57 3.38 -1.37 -2.00 115.31 116.44 2kj1 h LEU 74 Ca 0.57 -0.89 0.34 0.00 0.09 0.00 0.00 57.88 58.00 2kj1 h LEU 74 Cb 2.18 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.79 2kj1 h LEU 74 CO -0.05 1.31 0.83 0.28 0.09 0.00 0.00 178.44 180.90 2kj1 h SER 75 N -0.67 0.18 0.00 -0.43 0.02 0.18 0.52 113.55 113.35 2kj1 h SER 75 Ca -0.15 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2kj1 h SER 75 Cb 1.39 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 2kj1 h SER 75 CO 0.03 0.01 -0.30 0.44 -1.14 0.00 0.00 176.83 175.87 2kj1 h ASP 76 N 0.14 0.00 -0.58 3.07 5.19 -1.46 -2.46 116.42 120.33 2kj1 h ASP 76 Ca 0.63 -0.23 0.11 0.00 -0.62 0.00 0.00 57.03 56.92 2kj1 h ASP 76 Cb 2.14 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.54 2kj1 h ASP 76 CO -0.16 0.78 -0.25 -1.13 -3.12 0.00 0.00 179.24 175.36 2kj1 h ASN 77 N -1.00 -0.89 0.33 6.45 -0.73 -0.47 0.00 115.58 119.27 2kj1 h ASN 77 Ca -0.04 0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 2kj1 h ASN 77 Cb 0.48 0.48 -0.00 0.00 0.27 0.00 0.00 38.32 39.55 2kj1 h ASN 77 CO -0.03 -0.27 -0.18 0.24 -0.37 0.00 0.00 177.43 176.83 2kj1 h MET 78 N -0.11 -0.45 -0.89 6.67 2.86 -0.17 -2.34 114.93 120.50 2kj1 h MET 78 Ca 0.26 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 58.12 2kj1 h MET 78 Cb 0.51 0.10 -0.17 0.00 0.06 0.00 0.00 31.60 32.11 2kj1 h MET 78 CO -0.65 -0.30 -0.14 1.49 1.06 0.00 0.00 176.91 178.37 2kj1 h GLU 79 N -0.47 0.02 -0.53 1.72 4.81 -0.56 1.51 114.58 121.07 2kj1 h GLU 79 Ca -0.04 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2kj1 h GLU 79 Cb 0.38 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2kj1 h GLU 79 CO 0.05 0.01 0.26 0.28 -0.73 0.00 0.00 179.01 178.89 2kj1 h VAL 80 N 0.02 1.17 0.42 0.32 2.07 -0.78 0.56 116.25 120.03 2kj1 h VAL 80 Ca 0.46 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2kj1 h VAL 80 Cb 0.77 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2kj1 h VAL 80 CO -0.88 0.20 -0.20 0.25 0.02 0.00 0.00 177.57 176.96 2kj1 h LEU 81 N 0.74 -0.48 0.00 2.57 6.46 0.24 -1.96 115.31 122.88 2kj1 h LEU 81 Ca 0.19 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2kj1 h LEU 81 Cb 0.07 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2kj1 h LEU 81 CO -0.03 -0.08 0.00 -1.54 -0.62 0.00 0.00 178.44 176.17 2kj1 n SER 82 N -5.19 0.00 -0.02 1.25 3.41 0.15 -2.34 113.62 110.88 2kj1 n SER 82 Ca -0.10 -0.63 -0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2kj1 n SER 82 Cb 0.29 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2kj1 n SER 82 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2kj1 h ASP 83 N 0.00 0.00 -0.28 4.04 1.82 0.91 -3.39 116.42 119.52 2kj1 h ASP 83 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 2kj1 h ASP 83 Cb 0.00 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.01 2kj1 h ASP 83 CO 0.00 0.22 -0.45 1.12 -1.61 0.00 0.00 179.24 178.52 2kj1 h HIS 84 N -0.39 0.99 -1.43 0.28 2.07 -1.50 -3.49 115.15 111.67 2kj1 h HIS 84 Ca 0.00 -0.34 0.09 0.00 -2.85 0.00 0.00 60.37 57.27 2kj1 h HIS 84 Cb 0.05 -0.19 -0.03 0.00 2.57 0.00 0.00 27.41 29.81 2kj1 h HIS 84 CO -0.02 1.14 -0.21 0.44 -3.07 0.00 0.00 177.93 176.21 2kj1 n ILE 85 N -4.12 0.00 -1.68 6.12 -5.35 -0.99 -4.38 119.36 108.97 2kj1 n ILE 85 Ca -0.04 0.10 -0.46 0.00 -0.27 0.00 0.00 62.75 62.07 2kj1 n ILE 85 Cb 0.57 -0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.21 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2kj1 n VAL 86 N -2.34 0.46 -5.23 7.28 3.14 -1.26 -4.23 118.33 116.15 2kj1 n VAL 86 Ca -0.01 -0.08 -0.31 0.00 -2.96 0.00 0.00 64.34 60.98 2kj1 n VAL 86 Cb 0.55 -1.89 -0.17 0.00 -1.06 0.00 0.00 33.84 31.27 2kj1 n VAL 86 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2kj1 s ILE 87 N 3.29 2.01 0.04 1.55 2.07 -1.23 -4.76 121.20 124.17 2kj1 s ILE 87 Ca 0.88 -1.03 -0.33 0.00 -1.41 0.00 0.00 60.65 58.76 2kj1 s ILE 87 Cb -0.63 -1.70 -0.11 0.00 0.13 0.00 0.00 42.46 40.14 2kj1 s ILE 87 CO 0.46 0.56 1.82 1.21 -1.91 0.00 0.00 174.94 177.08 2kj1 n GLU 88 N 3.05 2.45 0.00 3.50 2.13 -1.26 0.17 120.64 130.68 2kj1 n GLU 88 Ca -0.18 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2kj1 n GLU 88 Cb 0.52 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 4.18 3.08 2.39 8.31 0.00 -1.26 -4.74 105.19 117.15 2kj1 n GLY 89 Ca 0.20 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 1.83 -4.68 0.99 7.94 0.56 -5.01 117.00 118.64 2kj1 n LEU 90 Ca 0.00 -5.18 -0.51 0.00 -1.11 0.00 0.00 56.01 49.21 2kj1 n LEU 90 Cb 0.00 0.34 -0.05 0.00 0.53 0.00 0.00 43.42 44.24 2kj1 n LEU 90 CO 0.00 2.29 1.47 -0.24 -1.11 0.00 0.00 177.39 179.80 2kj1 n SER 91 N 0.22 3.15 -0.20 1.96 2.88 0.45 -3.50 113.62 118.59 2kj1 n SER 91 Ca 0.26 0.97 0.30 0.00 -1.33 0.00 0.00 58.87 59.08 2kj1 n SER 91 Cb 0.57 -1.31 0.68 0.00 -0.75 0.00 0.00 64.21 63.40 2kj1 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kj1 h ALA 92 N 8.94 2.84 0.21 -1.46 0.00 -1.80 -0.97 119.26 127.02 2kj1 h ALA 92 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2kj1 h ALA 92 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kj1 h ALA 92 CO 0.96 -1.36 -0.10 0.93 0.00 0.00 0.00 179.25 179.67 2kj1 h GLU 93 N 0.00 -0.28 -0.84 0.00 3.07 -1.93 -1.26 114.58 113.34 2kj1 h GLU 93 Ca 0.46 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.48 2kj1 h GLU 93 Cb 2.18 0.06 -0.14 0.00 -0.84 0.00 0.00 28.75 30.01 2kj1 h GLU 93 CO -0.00 -0.18 -0.36 1.49 -1.40 0.00 0.00 179.01 178.55 2kj1 h GLU 94 N -0.65 -0.06 0.33 2.33 4.81 -1.56 -0.04 114.58 119.74 2kj1 h GLU 94 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2kj1 h GLU 94 Cb 0.22 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kj1 h GLU 94 CO 0.05 -0.04 -0.16 0.97 -0.73 0.00 0.00 179.01 179.10 2kj1 h ILE 95 N -0.06 0.70 -0.99 2.32 2.10 -1.49 -2.66 117.51 117.43 2kj1 h ILE 95 Ca 0.31 -0.22 0.20 0.00 1.08 0.00 0.00 64.86 66.23 2kj1 h ILE 95 Cb 0.58 0.82 -0.19 0.00 -1.09 0.00 0.00 36.82 36.94 2kj1 h ILE 95 CO -0.87 0.05 -0.25 0.40 -1.08 0.00 0.00 178.15 176.39 2kj1 h ILE 96 N -0.56 0.01 0.51 2.19 2.04 0.19 0.24 117.51 122.14 2kj1 h ILE 96 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2kj1 h ILE 96 Cb 0.41 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2kj1 h ILE 96 CO 0.07 0.00 -0.36 0.50 0.00 0.00 0.00 178.15 178.37 2kj1 h LYS 97 N -0.00 -0.81 -0.97 2.37 3.64 -0.98 -1.55 116.57 118.26 2kj1 h LYS 97 Ca 0.47 0.06 0.20 0.00 -1.27 0.00 0.00 60.65 60.11 2kj1 h LYS 97 Cb 0.72 0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 32.54 2kj1 h LYS 97 CO -1.02 -0.54 -0.21 0.52 -2.27 0.00 0.00 179.45 175.92 2kj1 h MET 98 N -0.84 0.00 0.00 1.90 2.86 -0.20 2.48 114.93 121.12 2kj1 h MET 98 Ca -0.06 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2kj1 h MET 98 Cb 0.71 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2kj1 h MET 98 CO 0.03 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.78 2kj1 h GLY 99 N 0.00 0.00 1.27 8.32 0.00 -0.94 -2.84 103.07 108.88 2kj1 h GLY 99 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.68 2kj1 h GLY 99 CO -0.99 0.00 -0.29 -2.09 0.00 0.00 0.00 176.54 173.16 2kj1 h GLU 100 N 0.00 0.82 -0.62 4.80 4.81 0.53 1.72 114.58 126.64 2kj1 h GLU 100 Ca 0.00 -0.37 0.13 0.00 -0.13 0.00 0.00 59.36 58.99 2kj1 h GLU 100 Cb 0.50 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2kj1 h GLU 100 CO 0.00 1.01 0.42 1.15 -0.73 0.00 0.00 179.01 180.86 2kj1 h THR 101 N 0.70 0.81 0.00 0.32 2.02 -1.18 -3.28 112.91 112.30 2kj1 h THR 101 Ca 0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2kj1 h THR 101 Cb 0.84 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2kj1 h THR 101 CO 0.07 0.05 -0.83 0.52 0.37 0.00 0.00 175.52 175.70 2kj1 n VAL 102 N -4.45 1.41 0.00 3.16 0.31 -0.98 -5.17 118.33 112.63 2kj1 n VAL 102 Ca 0.11 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 2kj1 n VAL 102 Cb 0.49 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40