#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 4.67 0.00 1.61 0.04 -1.26 -4.81 135.00 135.26 2kj1 s PRO 44 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kj1 s PRO 44 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2kj1 s PRO 44 CO 0.00 0.22 0.00 0.27 0.04 0.00 0.00 177.00 177.53 2kj1 n ASN 45 N 1.83 0.00 0.00 6.66 0.23 -1.26 -4.93 115.26 117.79 2kj1 n ASN 45 Ca 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2kj1 n ASN 45 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2kj1 n ASN 45 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2kj1 n LYS 46 N 0.00 0.00 -0.08 -3.83 2.85 -1.26 -0.90 118.16 114.95 2kj1 n LYS 46 Ca 0.00 0.19 -0.10 0.00 -1.05 0.00 0.00 58.31 57.35 2kj1 n LYS 46 Cb 0.00 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.63 2kj1 n LYS 46 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2kj1 h GLU 47 N 0.00 0.00 -0.97 -1.58 4.81 -1.92 -2.96 114.58 111.97 2kj1 h GLU 47 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 2kj1 h GLU 47 Cb 0.38 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.64 2kj1 h GLU 47 CO 0.00 0.46 0.54 1.15 -0.73 0.00 0.00 179.01 180.42 2kj1 h THR 48 N -1.00 0.56 0.58 0.32 2.02 -1.33 0.16 112.91 114.21 2kj1 h THR 48 Ca -0.10 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2kj1 h THR 48 Cb 0.70 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2kj1 h THR 48 CO -0.06 0.10 -0.28 0.16 0.37 0.00 0.00 175.52 175.82 2kj1 h ILE 49 N 0.57 0.20 -0.93 3.11 -0.00 -1.68 -2.47 117.51 116.30 2kj1 h ILE 49 Ca 0.60 -0.39 0.27 0.00 -0.00 0.00 0.00 64.86 65.34 2kj1 h ILE 49 Cb 1.10 0.28 -0.16 0.00 -0.00 0.00 0.00 36.82 38.04 2kj1 h ILE 49 CO -0.47 0.03 0.22 -1.13 -0.00 0.00 0.00 178.15 176.80 2kj1 h ASN 50 N -1.10 -0.10 0.10 2.16 -1.24 -0.95 0.65 115.58 115.10 2kj1 h ASN 50 Ca -0.08 0.23 0.02 0.00 0.71 0.00 0.00 56.30 57.18 2kj1 h ASN 50 Cb 0.65 0.33 -0.03 0.00 0.73 0.00 0.00 38.32 40.00 2kj1 h ASN 50 CO 0.13 -0.25 -0.23 -0.09 -1.29 0.00 0.00 177.43 175.70 2kj1 h ARG 51 N 0.12 -0.41 0.00 6.67 9.65 -0.63 -0.69 114.38 129.10 2kj1 h ARG 51 Ca 0.61 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.51 2kj1 h ARG 51 Cb 1.30 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2kj1 h ARG 51 CO -0.75 -0.27 0.00 -1.91 2.80 0.00 0.00 179.97 179.84 2kj1 n GLU 52 N -5.35 0.00 0.22 0.20 2.13 0.22 0.13 120.64 118.19 2kj1 n GLU 52 Ca -0.06 0.77 0.05 0.00 0.66 0.00 0.00 57.16 58.57 2kj1 n GLU 52 Cb 0.27 -1.42 0.25 0.00 0.27 0.00 0.00 31.44 30.81 2kj1 n GLU 52 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2kj1 h VAL 53 N 0.00 0.00 0.01 6.31 2.07 -1.19 0.34 116.25 123.80 2kj1 h VAL 53 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kj1 h VAL 53 Cb 0.00 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2kj1 h VAL 53 CO 0.00 0.00 -0.01 -1.28 0.02 0.00 0.00 177.57 176.30 2kj1 h SER 54 N 0.00 -0.01 -0.04 0.57 0.87 0.27 -2.91 113.55 112.30 2kj1 h SER 54 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2kj1 h SER 54 Cb 1.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kj1 h SER 54 CO 0.00 0.15 0.07 0.40 -0.53 0.00 0.00 176.83 176.92 2kj1 h ILE 55 N -0.34 0.33 0.00 2.23 2.04 0.02 -2.32 117.51 119.46 2kj1 h ILE 55 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2kj1 h ILE 55 Cb 0.01 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2kj1 h ILE 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.04 2kj1 n LEU 56 N -3.55 0.00 0.33 1.44 -0.00 0.11 0.58 117.00 115.91 2kj1 n LEU 56 Ca -0.02 0.93 0.15 0.00 -0.00 0.00 0.00 56.01 57.07 2kj1 n LEU 56 Cb 0.16 -0.43 0.79 0.00 -0.00 0.00 0.00 43.42 43.94 2kj1 n LEU 56 CO 0.24 -0.43 1.12 -0.09 -0.00 0.00 0.00 177.39 178.24 2kj1 h ARG 57 N 0.00 0.00 0.21 1.96 2.43 -1.26 -1.57 114.38 116.16 2kj1 h ARG 57 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kj1 h ARG 57 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2kj1 h ARG 57 CO 0.00 0.00 -0.10 1.25 -1.51 0.00 0.00 179.97 179.61 2kj1 h HIS 58 N 0.00 -0.27 -1.13 2.20 2.76 -0.68 -2.88 115.15 115.16 2kj1 h HIS 58 Ca 0.01 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.49 2kj1 h HIS 58 Cb 0.72 0.09 -0.10 0.00 1.55 0.00 0.00 27.41 29.67 2kj1 h HIS 58 CO 0.00 -0.17 0.74 1.03 -1.30 0.00 0.00 177.93 178.23 2kj1 h SER 59 N -0.97 0.34 0.14 3.26 0.87 0.11 -0.99 113.55 116.31 2kj1 h SER 59 Ca -0.03 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2kj1 h SER 59 Cb 0.22 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2kj1 h SER 59 CO 0.05 0.01 -0.09 0.22 -0.53 0.00 0.00 176.83 176.49 2kj1 h TYR 60 N 0.27 -0.23 0.00 2.24 3.20 -1.36 0.54 116.97 121.63 2kj1 h TYR 60 Ca 0.65 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.51 2kj1 h TYR 60 Cb 1.87 0.08 0.00 0.00 1.54 0.00 0.00 36.73 40.23 2kj1 h TYR 60 CO -0.00 -0.13 0.65 0.37 -1.64 0.00 0.00 178.16 177.40 2kj1 h GLN 61 N -0.22 0.00 0.00 1.82 4.15 -0.98 0.12 115.11 120.00 2kj1 h GLN 61 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2kj1 h GLN 61 Cb 0.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 2kj1 h GLN 61 CO 0.02 0.00 -0.43 -0.22 -1.93 0.00 0.00 178.83 176.27 2kj1 h LYS 62 N 0.00 0.00 -0.95 1.69 3.64 -0.39 -2.84 116.57 117.72 2kj1 h LYS 62 Ca 0.00 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.68 2kj1 h LYS 62 Cb 1.29 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.95 2kj1 h LYS 62 CO 0.00 0.16 0.31 0.93 -2.27 0.00 0.00 179.45 178.58 2kj1 h GLU 63 N -1.00 0.13 0.46 1.90 5.08 0.26 0.53 114.58 121.95 2kj1 h GLU 63 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2kj1 h GLU 63 Cb 0.48 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kj1 h GLU 63 CO -0.02 0.09 -0.22 0.97 -1.00 0.00 0.00 179.01 178.82 2kj1 h ILE 64 N 0.14 0.00 -0.88 3.13 6.09 -1.51 -2.47 117.51 122.01 2kj1 h ILE 64 Ca 0.66 -0.40 0.19 0.00 -1.37 0.00 0.00 64.86 63.94 2kj1 h ILE 64 Cb 1.47 0.00 -0.16 0.00 0.47 0.00 0.00 36.82 38.60 2kj1 h ILE 64 CO -0.73 0.00 -0.12 -0.61 -3.07 0.00 0.00 178.15 173.61 2kj1 h GLN 65 N -1.02 0.02 -0.23 2.19 4.15 -0.85 0.43 115.11 119.80 2kj1 h GLN 65 Ca -0.06 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.41 2kj1 h GLN 65 Cb 0.48 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 2kj1 h GLN 65 CO 0.10 0.01 -0.39 0.00 -1.93 0.00 0.00 178.83 176.63 2kj1 h ALA 66 N 1.87 -0.45 -1.13 3.38 0.00 -0.00 0.42 119.26 123.34 2kj1 h ALA 66 Ca 0.46 0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.78 2kj1 h ALA 66 Cb 0.78 0.76 -0.14 0.00 0.00 0.00 0.00 17.79 19.19 2kj1 h ALA 66 CO -0.86 -0.86 0.69 -0.22 0.00 0.00 0.00 179.25 178.00 2kj1 h LYS 67 N -0.40 0.17 -0.22 0.00 3.64 0.34 2.25 116.57 122.35 2kj1 h LYS 67 Ca 0.11 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2kj1 h LYS 67 Cb 0.59 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2kj1 h LYS 67 CO -0.45 0.11 -0.02 1.49 -2.27 0.00 0.00 179.45 178.31 2kj1 h GLU 68 N 0.17 0.32 0.05 1.90 4.81 0.25 0.25 114.58 122.34 2kj1 h GLU 68 Ca 0.78 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.95 2kj1 h GLU 68 Cb 2.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.47 2kj1 h GLU 68 CO -0.54 0.37 -0.02 1.79 -0.73 0.00 0.00 179.01 179.88 2kj1 h THR 69 N 0.31 1.30 -0.84 0.32 1.35 0.40 -2.84 112.91 112.91 2kj1 h THR 69 Ca 0.07 -1.42 0.17 0.00 -0.55 0.00 0.00 66.41 64.68 2kj1 h THR 69 Cb 0.25 2.20 -0.06 0.00 -1.73 0.00 0.00 68.15 68.81 2kj1 h THR 69 CO 0.01 0.34 0.56 -0.03 -0.25 0.00 0.00 175.52 176.15 2kj1 h MET 70 N -0.73 0.47 0.70 4.72 1.85 -0.90 -0.89 114.93 120.15 2kj1 h MET 70 Ca -0.01 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2kj1 h MET 70 Cb 0.62 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.54 2kj1 h MET 70 CO 0.01 0.31 -0.38 -0.22 -0.40 0.00 0.00 176.91 176.23 2kj1 h LYS 71 N 0.48 -0.97 -0.89 0.39 3.64 -0.87 -2.16 116.57 116.19 2kj1 h LYS 71 Ca 0.43 0.07 0.24 0.00 -1.27 0.00 0.00 60.65 60.12 2kj1 h LYS 71 Cb 0.94 0.22 -0.15 0.00 -0.41 0.00 0.00 32.23 32.83 2kj1 h LYS 71 CO -0.16 -0.65 0.21 1.49 -2.27 0.00 0.00 179.45 178.07 2kj1 h GLU 72 N -1.00 0.16 -0.01 1.90 4.81 -0.94 -0.48 114.58 119.02 2kj1 h GLU 72 Ca -0.09 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2kj1 h GLU 72 Cb 0.79 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2kj1 h GLU 72 CO 0.13 0.11 -0.27 0.28 -0.73 0.00 0.00 179.01 178.52 2kj1 h VAL 73 N 0.17 0.00 -0.72 0.32 2.07 -0.86 0.25 116.25 117.47 2kj1 h VAL 73 Ca 0.56 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.24 2kj1 h VAL 73 Cb 1.15 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.80 2kj1 h VAL 73 CO -0.70 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 176.86 2kj1 h LEU 74 N -0.33 -0.27 -1.03 2.57 3.38 -0.88 0.88 115.31 119.62 2kj1 h LEU 74 Ca 0.01 0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.35 2kj1 h LEU 74 Cb 0.36 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 2kj1 h LEU 74 CO -0.19 -0.14 0.61 0.28 0.09 0.00 0.00 178.44 179.09 2kj1 h SER 75 N 0.13 0.76 0.02 -0.43 0.02 -0.18 0.61 113.55 114.49 2kj1 h SER 75 Ca 0.40 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.38 2kj1 h SER 75 Cb 0.69 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2kj1 h SER 75 CO -0.61 0.25 -0.27 0.44 -1.14 0.00 0.00 176.83 175.50 2kj1 h ASP 76 N 0.73 0.21 -0.06 3.07 3.32 0.25 -2.71 116.42 121.22 2kj1 h ASP 76 Ca 0.58 -0.85 0.02 0.00 0.02 0.00 0.00 57.03 56.80 2kj1 h ASP 76 Cb 0.96 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2kj1 h ASP 76 CO -0.38 1.03 0.11 -1.13 -1.72 0.00 0.00 179.24 177.15 2kj1 h ASN 77 N -0.59 0.00 0.06 6.45 -0.73 0.11 -1.95 115.58 118.93 2kj1 h ASN 77 Ca -0.04 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 2kj1 h ASN 77 Cb 1.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.68 2kj1 h ASN 77 CO 0.05 0.00 -0.03 0.24 -0.37 0.00 0.00 177.43 177.32 2kj1 h MET 78 N 0.00 -0.08 -0.80 6.67 2.86 0.23 -2.64 114.93 121.16 2kj1 h MET 78 Ca 0.03 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.83 2kj1 h MET 78 Cb 0.24 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.82 2kj1 h MET 78 CO -0.00 0.24 0.36 0.93 1.06 0.00 0.00 176.91 179.50 2kj1 h GLU 79 N -0.99 0.49 -0.39 1.72 3.07 -1.12 0.33 114.58 117.69 2kj1 h GLU 79 Ca -0.01 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2kj1 h GLU 79 Cb 0.36 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2kj1 h GLU 79 CO 0.01 0.32 0.18 0.28 -1.40 0.00 0.00 179.01 178.41 2kj1 h VAL 80 N 0.50 1.18 -0.43 3.13 2.07 -1.47 0.39 116.25 121.63 2kj1 h VAL 80 Ca 0.45 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2kj1 h VAL 80 Cb 0.68 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2kj1 h VAL 80 CO -0.40 0.19 0.17 0.25 0.02 0.00 0.00 177.57 177.80 2kj1 h LEU 81 N 0.48 0.20 0.00 2.57 6.46 -0.63 0.22 115.31 124.62 2kj1 h LEU 81 Ca 0.13 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2kj1 h LEU 81 Cb 0.14 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2kj1 h LEU 81 CO -0.02 0.15 0.00 -1.54 -0.62 0.00 0.00 178.44 176.41 2kj1 n SER 82 N -4.98 0.00 0.06 1.25 3.41 -0.22 -2.36 113.62 110.77 2kj1 n SER 82 Ca 0.03 -0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.21 2kj1 n SER 82 Cb 0.15 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.52 0.26 4.04 1.82 0.31 -3.35 116.42 120.03 2kj1 h ASP 83 Ca 0.00 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.71 2kj1 h ASP 83 Cb 0.22 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2kj1 h ASP 83 CO 0.00 1.49 -1.15 0.00 -1.61 0.00 0.00 179.24 177.98 2kj1 n HIS 84 N -4.01 0.15 -0.30 0.28 1.44 -1.01 -4.95 115.22 106.82 2kj1 n HIS 84 Ca -0.16 0.04 -0.09 0.00 -2.01 0.00 0.00 57.72 55.50 2kj1 n HIS 84 Cb 0.89 -0.33 -0.03 0.00 0.12 0.00 0.00 29.99 30.64 2kj1 n HIS 84 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 2kj1 n ILE 85 N -1.88 0.00 -2.03 0.61 3.06 -1.00 -4.73 119.36 113.40 2kj1 n ILE 85 Ca 0.02 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.88 2kj1 n ILE 85 Cb 0.43 -0.10 0.00 0.00 0.54 0.00 0.00 39.64 40.51 2kj1 n ILE 85 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 2kj1 s VAL 86 N 1.75 2.57 0.17 9.51 1.01 -1.26 -5.02 120.40 129.14 2kj1 s VAL 86 Ca 0.27 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 2kj1 s VAL 86 Cb -0.26 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 32.89 2kj1 s VAL 86 CO 0.10 0.05 0.76 0.27 0.00 0.00 0.00 175.10 176.29 2kj1 s ILE 87 N -1.30 0.00 -0.19 2.22 -4.36 -1.09 -3.79 121.20 112.68 2kj1 s ILE 87 Ca 0.60 -0.46 -0.10 0.00 -0.26 0.00 0.00 60.65 60.43 2kj1 s ILE 87 Cb -0.37 -1.53 0.04 0.00 1.25 0.00 0.00 42.46 41.84 2kj1 s ILE 87 CO 0.47 0.00 0.19 1.21 0.24 0.00 0.00 174.94 177.06 2kj1 n GLU 88 N -0.40 -4.18 0.00 0.37 4.07 -1.26 -4.29 120.64 114.94 2kj1 n GLU 88 Ca -0.09 3.19 0.00 0.00 -0.06 0.00 0.00 57.16 60.20 2kj1 n GLU 88 Cb 0.62 -4.81 0.00 0.00 -0.06 0.00 0.00 31.44 27.19 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kj1 n GLY 89 N 1.60 2.78 3.06 8.31 0.00 -1.26 -4.93 105.19 114.76 2kj1 n GLY 89 Ca -0.33 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 1.78 0.95 0.99 0.20 -1.26 -5.13 118.68 116.21 2kj1 s LEU 90 Ca 0.00 -0.49 -0.14 0.00 0.69 0.00 0.00 54.13 54.19 2kj1 s LEU 90 Cb 0.00 -1.19 0.21 0.00 -0.43 0.00 0.00 46.19 44.78 2kj1 s LEU 90 CO 0.00 -0.01 1.30 -0.55 -0.29 0.00 0.00 176.35 176.80 2kj1 s SER 91 N 1.19 3.08 0.04 3.68 0.15 -1.26 -2.69 113.70 117.89 2kj1 s SER 91 Ca -0.01 0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.75 2kj1 s SER 91 Cb -0.14 -0.09 -0.25 0.00 -1.71 0.00 0.00 66.02 63.83 2kj1 s SER 91 CO -0.06 -2.74 0.99 0.00 1.20 0.00 0.00 173.24 172.63 2kj1 h ALA 92 N -1.57 0.38 -0.04 5.45 0.00 -1.97 -3.10 119.26 118.41 2kj1 h ALA 92 Ca -0.43 -1.09 0.01 0.00 0.00 0.00 0.00 54.91 53.41 2kj1 h ALA 92 Cb 1.22 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2kj1 h ALA 92 CO 0.34 1.25 -0.04 1.49 0.00 0.00 0.00 179.25 182.29 2kj1 h GLU 93 N 0.03 -0.05 0.10 0.00 4.57 -1.93 0.13 114.58 117.43 2kj1 h GLU 93 Ca -0.16 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2kj1 h GLU 93 Cb 1.93 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.53 2kj1 h GLU 93 CO 0.14 -0.03 -0.05 0.93 -1.18 0.00 0.00 179.01 178.82 2kj1 h GLU 94 N -0.05 -0.12 -0.90 1.92 5.08 -1.96 0.24 114.58 118.79 2kj1 h GLU 94 Ca 0.03 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.70 2kj1 h GLU 94 Cb 0.09 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.21 2kj1 h GLU 94 CO -0.07 -0.08 0.20 -0.89 -1.00 0.00 0.00 179.01 177.17 2kj1 n ILE 95 N -2.36 -0.38 -0.10 3.13 2.08 -1.17 0.29 119.36 120.86 2kj1 n ILE 95 Ca -0.02 1.91 -0.10 0.00 0.56 0.00 0.00 62.75 65.11 2kj1 n ILE 95 Cb 0.05 -2.91 0.04 0.00 -0.75 0.00 0.00 39.64 36.07 2kj1 n ILE 95 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2kj1 h ILE 96 N 0.00 1.28 -0.63 1.39 5.03 -0.46 -2.57 117.51 121.54 2kj1 h ILE 96 Ca 0.63 -1.45 0.12 0.00 -0.12 0.00 0.00 64.86 64.03 2kj1 h ILE 96 Cb 1.48 1.30 -0.12 0.00 -3.03 0.00 0.00 36.82 36.45 2kj1 h ILE 96 CO -0.78 0.48 -0.29 0.50 -0.68 0.00 0.00 178.15 177.38 2kj1 h LYS 97 N 0.70 -0.11 0.00 2.37 3.64 0.79 2.26 116.57 126.22 2kj1 h LYS 97 Ca 0.08 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2kj1 h LYS 97 Cb 0.85 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2kj1 h LYS 97 CO 0.07 -0.07 -0.19 1.98 -2.27 0.00 0.00 179.45 178.97 2kj1 h MET 98 N -0.12 0.00 -0.00 1.90 4.05 -1.35 0.11 114.93 119.53 2kj1 h MET 98 Ca 0.26 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.68 2kj1 h MET 98 Cb 0.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2kj1 h MET 98 CO -0.70 0.19 -0.01 0.41 0.23 0.00 0.00 176.91 177.03 2kj1 n GLY 99 N -0.70 -0.98 0.13 1.39 0.00 0.70 -3.56 105.19 102.17 2kj1 n GLY 99 Ca -0.02 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.97 0.65 0.02 1.61 -0.58 0.24 -4.10 120.64 117.52 2kj1 n GLU 100 Ca 0.21 0.22 0.03 0.00 -0.42 0.00 0.00 57.16 57.20 2kj1 n GLU 100 Cb 0.16 -1.56 0.15 0.00 -0.57 0.00 0.00 31.44 29.62 2kj1 n GLU 100 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2kj1 n THR 101 N -3.55 1.62 -4.04 2.62 -2.24 -1.04 -4.91 114.28 102.74 2kj1 n THR 101 Ca -0.44 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2kj1 n THR 101 Cb 0.96 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2kj1 n THR 101 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kj1 n VAL 102 N -1.60 0.00 1.27 2.28 0.31 -1.24 -5.14 118.33 114.21 2kj1 n VAL 102 Ca 0.01 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.47 2kj1 n VAL 102 Cb 0.05 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.31 2kj1 n VAL 102 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69