#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klc s LYS 24 N 0.00 3.69 0.37 0.54 2.20 -1.26 -5.07 119.74 120.22 2klc s LYS 24 Ca 0.00 1.31 -0.16 0.00 -0.36 0.00 0.00 55.97 56.76 2klc s LYS 24 Cb 0.00 -2.08 -0.09 0.00 -1.51 0.00 0.00 37.83 34.15 2klc s LYS 24 CO 0.00 -0.52 0.81 -1.50 -0.36 0.00 0.00 175.35 173.79 2klc s ILE 25 N -2.11 4.61 -0.29 5.43 2.07 -1.26 -5.03 121.20 124.62 2klc s ILE 25 Ca 0.66 1.05 -0.27 0.00 -1.41 0.00 0.00 60.65 60.69 2klc s ILE 25 Cb -0.16 -3.63 0.01 0.00 0.13 0.00 0.00 42.46 38.81 2klc s ILE 25 CO 0.24 -0.30 0.97 -0.04 -1.91 0.00 0.00 174.94 173.90 2klc s MET 26 N -3.23 4.09 -0.96 3.50 -1.94 -0.78 -4.88 119.30 115.11 2klc s MET 26 Ca 0.56 0.99 -0.20 0.00 -1.71 0.00 0.00 55.69 55.33 2klc s MET 26 Cb -0.10 -3.71 0.11 0.00 2.01 0.00 0.00 34.83 33.15 2klc s MET 26 CO 0.19 -0.75 1.21 0.15 -0.01 0.00 0.00 175.02 175.82 2klc s LYS 27 N 3.30 3.60 -0.33 2.03 -0.14 -1.26 -1.95 119.74 124.99 2klc s LYS 27 Ca 0.41 -1.61 -0.18 0.00 -1.36 0.00 0.00 55.97 53.23 2klc s LYS 27 Cb -0.14 -5.03 -0.01 0.00 -1.68 0.00 0.00 37.83 30.97 2klc s LYS 27 CO 0.12 -1.89 0.50 0.08 -0.76 0.00 0.00 175.35 173.41 2klc s VAL 28 N 3.27 5.03 0.14 3.17 1.01 -0.01 -1.13 120.40 131.88 2klc s VAL 28 Ca 0.36 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.53 2klc s VAL 28 Cb -0.03 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 2klc s VAL 28 CO -0.09 -0.15 0.76 -0.89 0.00 0.00 0.00 175.10 174.73 2klc s THR 29 N 2.36 4.44 -0.12 3.92 2.01 -1.00 -0.78 115.64 126.47 2klc s THR 29 Ca 0.19 1.66 0.02 0.00 0.31 0.00 0.00 61.69 63.87 2klc s THR 29 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2klc s THR 29 CO 0.12 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.70 2klc s VAL 30 N -1.01 1.63 -0.18 3.82 1.01 -0.18 -1.22 120.40 124.27 2klc s VAL 30 Ca 0.36 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2klc s VAL 30 Cb -0.23 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2klc s VAL 30 CO 0.25 0.47 0.25 -0.75 0.00 0.00 0.00 175.10 175.32 2klc s LYS 31 N 0.95 4.21 0.28 2.72 2.36 -0.38 -2.00 119.74 127.88 2klc s LYS 31 Ca -0.07 -0.01 0.09 0.00 -2.55 0.00 0.00 55.97 53.44 2klc s LYS 31 Cb -0.15 -3.45 -0.05 0.00 -1.05 0.00 0.00 37.83 33.12 2klc s LYS 31 CO -0.02 0.20 -0.14 0.95 1.55 0.00 0.00 175.35 177.89 2klc s THR 32 N 0.61 2.10 -0.38 3.43 -4.23 -0.14 -0.85 115.64 116.19 2klc s THR 32 Ca 0.14 -2.27 0.15 0.00 -1.18 0.00 0.00 61.69 58.53 2klc s THR 32 Cb -0.13 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.52 2klc s THR 32 CO 0.03 -0.38 1.46 -0.81 -0.54 0.00 0.00 174.62 174.38 2klc n PRO 33 N -0.60 0.10 -0.03 3.99 -0.04 -1.26 -2.84 135.00 134.32 2klc n PRO 33 Ca -0.06 0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 63.98 2klc n PRO 33 Cb 0.61 -1.86 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2klc n PRO 33 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2klc h LYS 34 N 0.00 0.00 0.00 0.54 6.56 -1.95 -3.51 116.57 118.20 2klc h LYS 34 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2klc h LYS 34 Cb 0.05 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.72 2klc h LYS 34 CO 0.00 0.00 0.28 -0.85 -2.06 0.00 0.00 179.45 176.82 2klc n GLU 35 N -3.55 1.05 -5.20 3.15 0.28 -1.13 -5.17 120.64 110.07 2klc n GLU 35 Ca -0.02 -2.07 -0.31 0.00 -0.16 0.00 0.00 57.16 54.60 2klc n GLU 35 Cb 0.07 2.60 -0.17 0.00 1.43 0.00 0.00 31.44 35.37 2klc n GLU 35 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2klc s LYS 36 N -2.08 2.78 0.06 3.44 -2.85 -1.26 -0.96 119.74 118.86 2klc s LYS 36 Ca 0.16 -0.86 0.08 0.00 -1.00 0.00 0.00 55.97 54.34 2klc s LYS 36 Cb -0.05 -2.19 -0.03 0.00 -2.06 0.00 0.00 37.83 33.50 2klc s LYS 36 CO 0.11 0.25 -0.22 -1.21 0.10 0.00 0.00 175.35 174.37 2klc s GLU 37 N 0.16 1.45 -0.15 1.78 0.41 -0.85 -4.92 118.70 116.58 2klc s GLU 37 Ca -0.13 -1.03 -0.07 0.00 -0.41 0.00 0.00 54.97 53.33 2klc s GLU 37 Cb -0.16 -1.62 -0.04 0.00 -1.78 0.00 0.00 34.13 30.53 2klc s GLU 37 CO 0.07 0.41 0.10 -2.00 -0.49 0.00 0.00 175.26 173.35 2klc s GLU 38 N -1.34 3.65 0.33 1.61 2.12 -1.26 -1.01 118.70 122.80 2klc s GLU 38 Ca 0.09 -0.24 0.10 0.00 0.36 0.00 0.00 54.97 55.28 2klc s GLU 38 Cb -0.09 -3.19 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 2klc s GLU 38 CO 0.02 0.56 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.17 2klc s PHE 39 N -0.41 2.44 -0.23 5.30 0.40 0.04 -4.94 117.98 120.58 2klc s PHE 39 Ca 0.11 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2klc s PHE 39 Cb -0.12 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.12 2klc s PHE 39 CO 0.02 0.57 -0.03 0.00 0.70 0.00 0.00 175.22 176.47 2klc s ALA 40 N -2.56 1.83 -0.02 5.36 0.00 -1.26 -0.83 121.76 124.28 2klc s ALA 40 Ca 0.33 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2klc s ALA 40 Cb 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2klc s ALA 40 CO 0.17 -1.21 -0.11 0.14 0.00 0.00 0.00 175.76 174.74 2klc s VAL 41 N 1.46 0.93 -0.04 0.00 -7.23 -0.82 -4.94 120.40 109.75 2klc s VAL 41 Ca -0.04 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 2klc s VAL 41 Cb -0.19 -0.79 0.05 0.00 0.56 0.00 0.00 36.38 36.01 2klc s VAL 41 CO -0.07 0.27 1.36 -0.81 -0.31 0.00 0.00 175.10 175.54 2klc n PRO 42 N 2.96 1.11 -0.75 4.82 -0.04 -1.26 -1.86 135.00 139.98 2klc n PRO 42 Ca -0.15 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 2klc n PRO 42 Cb 0.55 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2klc n PRO 42 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2klc n GLU 43 N 0.66 -0.89 -0.01 0.54 1.02 -1.26 -4.75 120.64 115.96 2klc n GLU 43 Ca 0.05 0.22 0.03 0.00 -0.02 0.00 0.00 57.16 57.44 2klc n GLU 43 Cb 0.57 -4.62 -0.07 0.00 -0.02 0.00 0.00 31.44 27.30 2klc n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2klc n ASN 44 N -0.44 3.06 -4.64 1.62 4.05 -1.26 -4.78 115.26 112.87 2klc n ASN 44 Ca 0.00 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 2klc n ASN 44 Cb 0.22 1.31 -0.03 0.00 1.23 0.00 0.00 39.78 42.51 2klc n ASN 44 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2klc s SER 45 N -3.09 6.19 0.85 1.20 0.01 -1.26 -5.00 113.70 112.58 2klc s SER 45 Ca -0.03 2.21 -0.12 0.00 1.31 0.00 0.00 55.95 59.32 2klc s SER 45 Cb 0.05 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 63.85 2klc s SER 45 CO 0.35 -1.33 1.11 -0.44 0.41 0.00 0.00 173.24 173.34 2klc s SER 46 N 5.33 4.06 0.34 2.44 0.01 -1.26 -4.51 113.70 120.11 2klc s SER 46 Ca 0.87 1.18 0.03 0.00 1.31 0.00 0.00 55.95 59.33 2klc s SER 46 Cb -0.36 -1.85 0.64 0.00 0.21 0.00 0.00 66.02 64.67 2klc s SER 46 CO 0.36 -2.23 1.96 0.58 0.41 0.00 0.00 173.24 174.33 2klc h VAL 47 N -1.27 1.09 -1.00 3.43 2.07 -1.54 0.16 116.25 119.18 2klc h VAL 47 Ca -0.49 -0.30 0.17 0.00 0.82 0.00 0.00 66.70 66.90 2klc h VAL 47 Cb 1.29 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 2klc h VAL 47 CO 0.60 0.16 0.62 -0.61 0.02 0.00 0.00 177.57 178.36 2klc h GLN 48 N 0.87 0.82 0.00 1.57 4.15 -1.75 -2.26 115.11 118.51 2klc h GLN 48 Ca 0.31 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.56 2klc h GLN 48 Cb 0.12 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2klc h GLN 48 CO -0.09 0.54 -1.51 1.04 -1.93 0.00 0.00 178.83 176.87 2klc n GLN 49 N -4.71 0.63 -0.05 1.69 6.02 -0.65 -4.28 117.38 116.03 2klc n GLN 49 Ca 0.22 0.10 -0.15 0.00 -0.01 0.00 0.00 57.00 57.17 2klc n GLN 49 Cb 0.50 -1.73 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 2klc n GLN 49 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2klc h PHE 50 N 0.00 0.60 0.00 1.08 3.57 -0.12 -2.30 116.94 119.77 2klc h PHE 50 Ca -0.14 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2klc h PHE 50 Cb 1.41 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2klc h PHE 50 CO 0.00 0.96 0.00 1.57 -2.23 0.00 0.00 178.31 178.61 2klc h LYS 51 N 0.07 0.00 -0.00 1.11 -0.00 -1.73 -1.38 116.57 114.65 2klc h LYS 51 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.49 2klc h LYS 51 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.16 2klc h LYS 51 CO 0.07 0.00 -0.72 0.93 -0.00 0.00 0.00 179.45 179.74 2klc h GLU 52 N 0.00 0.01 -0.00 0.07 5.08 -1.67 -0.91 114.58 117.16 2klc h GLU 52 Ca 0.00 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2klc h GLU 52 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2klc h GLU 52 CO 0.00 0.72 -0.80 0.93 -1.00 0.00 0.00 179.01 178.86 2klc h GLU 53 N 0.00 0.06 -0.08 2.33 4.39 -0.79 -3.25 114.58 117.24 2klc h GLU 53 Ca -0.01 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2klc h GLU 53 Cb 1.27 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2klc h GLU 53 CO 0.09 0.82 -0.52 0.82 -1.16 0.00 0.00 179.01 179.07 2klc h ILE 54 N 0.04 1.36 -0.18 3.13 2.04 -1.11 -3.31 117.51 119.47 2klc h ILE 54 Ca -0.02 -1.78 0.02 0.00 1.00 0.00 0.00 64.86 64.08 2klc h ILE 54 Cb 1.40 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 2klc h ILE 54 CO 0.11 0.53 0.06 0.77 0.00 0.00 0.00 178.15 179.62 2klc h SER 55 N 0.18 0.06 1.12 1.72 4.64 -1.20 -0.97 113.55 119.10 2klc h SER 55 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2klc h SER 55 Cb 0.98 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2klc h SER 55 CO 0.08 0.06 -0.15 0.07 -0.87 0.00 0.00 176.83 176.02 2klc h LYS 56 N 0.14 0.00 0.10 4.77 2.10 -1.72 -0.48 116.57 121.49 2klc h LYS 56 Ca 0.08 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2klc h LYS 56 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2klc h LYS 56 CO -0.09 0.15 -0.05 -0.09 -2.00 0.00 0.00 179.45 177.37 2klc h ARG 57 N 0.00 -0.13 -0.04 0.07 9.65 -1.40 -3.35 114.38 119.18 2klc h ARG 57 Ca -0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2klc h ARG 57 Cb 0.75 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 2klc h ARG 57 CO 0.02 0.02 0.00 1.19 2.80 0.00 0.00 179.97 184.00 2klc n PHE 58 N -4.85 0.05 -2.04 2.20 3.01 -0.46 -4.93 117.46 110.44 2klc n PHE 58 Ca -0.03 -0.02 -0.19 0.00 1.01 0.00 0.00 57.45 58.21 2klc n PHE 58 Cb 0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 2klc n PHE 58 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2klc n LYS 59 N -0.13 -1.46 -4.38 -1.08 4.76 -0.28 -4.84 118.16 110.75 2klc n LYS 59 Ca 0.19 1.04 -0.31 0.00 -2.87 0.00 0.00 58.31 56.35 2klc n LYS 59 Cb 0.27 -5.51 -0.10 0.00 -1.84 0.00 0.00 35.03 27.85 2klc n LYS 59 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2klc s SER 60 N -2.40 4.63 0.47 4.39 0.01 -0.67 -5.00 113.70 115.14 2klc s SER 60 Ca 0.00 -0.19 -0.22 0.00 1.31 0.00 0.00 55.95 56.85 2klc s SER 60 Cb 0.00 -1.05 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 2klc s SER 60 CO 0.00 0.25 1.14 -1.00 0.41 0.00 0.00 173.24 174.04 2klc s HIS 61 N -1.07 2.88 0.47 2.43 3.76 -1.26 -4.33 115.29 118.17 2klc s HIS 61 Ca 0.19 1.55 0.34 0.00 -0.15 0.00 0.00 55.06 56.99 2klc s HIS 61 Cb -0.11 -3.32 1.80 0.00 1.11 0.00 0.00 32.58 32.06 2klc s HIS 61 CO 0.10 -1.40 2.18 1.79 -0.85 0.00 0.00 174.74 176.55 2klc h THR 62 N 1.75 0.29 0.00 1.30 1.35 -1.92 -1.20 112.91 114.48 2klc h THR 62 Ca -0.49 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 2klc h THR 62 Cb 1.25 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2klc h THR 62 CO 0.60 0.04 -0.25 -2.24 -0.25 0.00 0.00 175.52 173.42 2klc h ASP 63 N 0.00 0.00 0.40 5.36 2.03 -1.97 -2.93 116.42 119.31 2klc h ASP 63 Ca -0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 2klc h ASP 63 Cb 0.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 2klc h ASP 63 CO 0.01 0.25 -0.79 1.56 -1.03 0.00 0.00 179.24 179.24 2klc h GLN 64 N 0.00 0.30 -6.24 4.15 4.20 -1.56 -3.44 115.11 112.52 2klc h GLN 64 Ca -0.00 -0.28 -0.57 0.00 0.06 0.00 0.00 58.65 57.86 2klc h GLN 64 Cb 1.03 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.79 2klc h GLN 64 CO 0.03 0.95 0.87 -0.51 -0.67 0.00 0.00 178.83 179.50 2klc s LEU 65 N -7.74 3.60 -0.23 1.46 1.43 -1.11 -1.57 118.68 114.53 2klc s LEU 65 Ca -0.04 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2klc s LEU 65 Cb 0.10 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.51 2klc s LEU 65 CO 0.83 -1.53 -0.08 0.68 0.23 0.00 0.00 176.35 176.47 2klc s VAL 66 N 4.89 2.81 -0.08 -1.59 -7.23 -1.00 -4.94 120.40 113.26 2klc s VAL 66 Ca 0.36 -0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 59.38 2klc s VAL 66 Cb -0.10 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2klc s VAL 66 CO 0.19 0.30 0.72 -0.76 -0.31 0.00 0.00 175.10 175.25 2klc s LEU 67 N 1.34 4.30 0.03 1.32 1.43 -1.26 -1.88 118.68 123.96 2klc s LEU 67 Ca 0.02 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 2klc s LEU 67 Cb -0.16 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2klc s LEU 67 CO -0.06 -0.15 -0.18 -0.63 0.23 0.00 0.00 176.35 175.56 2klc s ILE 68 N 0.96 2.78 -0.26 -0.59 1.09 0.06 -0.64 121.20 124.61 2klc s ILE 68 Ca 0.38 -1.13 -0.25 0.00 -1.10 0.00 0.00 60.65 58.55 2klc s ILE 68 Cb -0.18 -2.15 0.07 0.00 -1.06 0.00 0.00 42.46 39.14 2klc s ILE 68 CO 0.18 0.38 0.71 0.12 -0.10 0.00 0.00 174.94 176.23 2klc s PHE 69 N -0.89 -0.78 -0.92 3.97 5.36 -0.34 -2.19 117.98 122.19 2klc s PHE 69 Ca 0.14 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 58.00 2klc s PHE 69 Cb -0.10 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 2klc s PHE 69 CO 0.04 -0.39 0.00 0.00 -1.46 0.00 0.00 175.22 173.42 2klc n ALA 70 N 2.63 -0.13 -0.86 11.12 0.00 -1.26 -2.24 120.51 129.76 2klc n ALA 70 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2klc n ALA 70 Cb 0.55 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2klc n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klc n GLY 71 N -0.69 0.52 3.13 0.00 0.00 -1.26 -5.08 105.19 101.82 2klc n GLY 71 Ca -0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2klc n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2klc s LYS 72 N -1.74 0.72 -0.13 1.61 0.00 -0.95 -5.15 119.74 114.10 2klc s LYS 72 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 55.97 54.50 2klc s LYS 72 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 37.83 37.77 2klc s LYS 72 CO 0.00 -0.06 0.61 0.96 0.00 0.00 0.00 175.35 176.86 2klc s ILE 73 N -3.65 5.08 -0.17 3.79 -0.00 -1.26 -1.20 121.20 123.79 2klc s ILE 73 Ca 0.09 1.21 -0.29 0.00 -0.00 0.00 0.00 60.65 61.66 2klc s ILE 73 Cb 0.06 -3.94 -0.01 0.00 -0.00 0.00 0.00 42.46 38.56 2klc s ILE 73 CO -0.07 0.23 1.27 -0.76 -0.00 0.00 0.00 174.94 175.60 2klc s LEU 74 N 1.12 4.17 0.00 0.37 1.43 0.19 -4.97 118.68 120.98 2klc s LEU 74 Ca 0.31 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 2klc s LEU 74 Cb -0.16 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.65 2klc s LEU 74 CO 0.13 -0.78 0.97 0.29 0.23 0.00 0.00 176.35 177.19 2klc n LYS 75 N 6.65 0.09 0.22 1.70 4.76 -1.26 -4.60 118.16 125.71 2klc n LYS 75 Ca 0.14 -2.93 0.05 0.00 -2.87 0.00 0.00 58.31 52.70 2klc n LYS 75 Cb 0.45 -0.55 0.49 0.00 -1.84 0.00 0.00 35.03 33.58 2klc n LYS 75 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2klc h ASP 76 N -0.40 0.00 0.48 4.39 2.03 -1.96 -2.30 116.42 118.66 2klc h ASP 76 Ca -0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 2klc h ASP 76 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2klc h ASP 76 CO 0.38 0.21 0.00 0.00 -1.03 0.00 0.00 179.24 178.80 2klc n GLN 77 N -4.25 0.13 -4.01 4.15 10.64 -1.26 -4.23 117.38 118.55 2klc n GLN 77 Ca -0.02 0.16 -0.26 0.00 -1.83 0.00 0.00 57.00 55.04 2klc n GLN 77 Cb 0.27 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.11 2klc n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2klc s ASP 78 N -2.79 5.96 -0.00 2.61 1.01 -0.86 -5.06 116.67 117.54 2klc s ASP 78 Ca 0.13 0.03 0.07 0.00 0.71 0.00 0.00 52.55 53.49 2klc s ASP 78 Cb 0.12 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 2klc s ASP 78 CO 0.30 0.06 -0.21 0.42 0.21 0.00 0.00 175.17 175.95 2klc s THR 79 N -1.75 2.48 0.27 -1.27 -4.23 -1.26 -1.59 115.64 108.30 2klc s THR 79 Ca 0.33 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2klc s THR 79 Cb -0.11 -1.95 0.27 0.00 1.34 0.00 0.00 72.50 72.05 2klc s THR 79 CO 0.26 0.49 1.92 0.17 -0.54 0.00 0.00 174.62 176.92 2klc h LEU 80 N 5.11 1.03 -1.25 4.79 -0.00 -1.89 -2.89 115.31 120.22 2klc h LEU 80 Ca -0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2klc h LEU 80 Cb 1.14 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.53 2klc h LEU 80 CO 0.47 0.71 0.47 -1.28 -0.00 0.00 0.00 178.44 178.81 2klc h SER 81 N 1.20 0.86 0.21 0.17 0.87 -1.87 -1.44 113.55 113.55 2klc h SER 81 Ca 0.38 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.86 2klc h SER 81 Cb 0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2klc h SER 81 CO -0.12 0.63 -0.22 -0.61 -0.53 0.00 0.00 176.83 175.99 2klc h GLN 82 N 1.00 0.02 -0.01 2.24 5.75 -1.83 -2.20 115.11 120.07 2klc h GLN 82 Ca 0.27 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 2klc h GLN 82 Cb -0.09 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.46 2klc h GLN 82 CO -0.06 0.23 0.00 0.72 -2.65 0.00 0.00 178.83 177.08 2klc n HIS 83 N -4.28 0.02 -0.51 3.99 8.25 -0.59 -4.87 115.22 117.23 2klc n HIS 83 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2klc n HIS 83 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2klc n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2klc n GLY 84 N 0.95 0.75 3.56 -1.41 0.00 -0.83 -5.03 105.19 103.18 2klc n GLY 84 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2klc n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2klc s ILE 85 N -2.26 4.27 -0.25 -0.61 1.01 -0.91 -4.98 121.20 117.47 2klc s ILE 85 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 60.65 61.22 2klc s ILE 85 Cb 0.00 -4.58 0.07 0.00 0.01 0.00 0.00 42.46 37.96 2klc s ILE 85 CO 0.00 -1.11 0.61 -1.38 0.00 0.00 0.00 174.94 173.06 2klc s HIS 86 N 4.29 -0.94 -0.05 3.97 -3.43 -1.26 -3.75 115.29 114.13 2klc s HIS 86 Ca 0.38 1.89 -0.03 0.00 -0.80 0.00 0.00 55.06 56.51 2klc s HIS 86 Cb -0.10 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 31.60 2klc s HIS 86 CO 0.25 -0.48 0.05 -3.47 -2.00 0.00 0.00 174.74 169.09 2klc n ASP 87 N 4.32 -6.05 0.00 7.38 2.03 -1.25 -3.63 116.55 119.36 2klc n ASP 87 Ca -0.21 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2klc n ASP 87 Cb 0.58 -2.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.56 2klc n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2klc n GLY 88 N 2.22 2.92 3.81 0.27 0.00 -0.28 -4.88 105.19 109.25 2klc n GLY 88 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2klc n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2klc s LEU 89 N 0.00 3.70 0.11 0.99 2.96 -1.24 -4.79 118.68 120.41 2klc s LEU 89 Ca 0.00 1.78 0.06 0.00 -0.22 0.00 0.00 54.13 55.75 2klc s LEU 89 Cb 0.00 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.11 2klc s LEU 89 CO 0.00 -0.80 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.31 2klc s THR 90 N -2.31 3.76 0.19 3.68 2.01 -1.26 -2.38 115.64 119.34 2klc s THR 90 Ca 0.63 -1.16 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2klc s THR 90 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2klc s THR 90 CO 0.27 0.07 0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 2klc s VAL 91 N -1.36 4.22 -0.13 3.82 1.01 -0.35 -4.98 120.40 122.62 2klc s VAL 91 Ca 0.25 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 2klc s VAL 91 Cb -0.11 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2klc s VAL 91 CO 0.17 -0.17 0.55 -1.00 0.00 0.00 0.00 175.10 174.65 2klc s HIS 92 N -1.85 3.49 -0.05 5.22 3.76 -0.93 -1.25 115.29 123.68 2klc s HIS 92 Ca 0.30 0.95 0.02 0.00 -0.15 0.00 0.00 55.06 56.19 2klc s HIS 92 Cb -0.09 -2.66 0.01 0.00 1.11 0.00 0.00 32.58 30.95 2klc s HIS 92 CO 0.22 0.06 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.90 2klc s LEU 93 N 0.99 1.64 -0.24 0.89 2.96 -0.03 -0.76 118.68 124.13 2klc s LEU 93 Ca 0.28 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2klc s LEU 93 Cb -0.16 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 45.85 2klc s LEU 93 CO 0.12 0.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.39 2klc s VAL 94 N 0.55 2.50 -0.10 1.68 1.01 -0.79 -4.16 120.40 121.10 2klc s VAL 94 Ca -0.11 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 2klc s VAL 94 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2klc s VAL 94 CO 0.02 0.18 0.55 -0.63 0.00 0.00 0.00 175.10 175.23 2klc s ILE 95 N 1.24 5.14 -1.39 2.22 1.01 -1.26 -2.38 121.20 125.78 2klc s ILE 95 Ca -0.02 1.12 -0.08 0.00 0.00 0.00 0.00 60.65 61.67 2klc s ILE 95 Cb -0.17 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.48 2klc s ILE 95 CO -0.06 0.30 2.36 1.17 0.00 0.00 0.00 174.94 178.71 2klc n LYS 96 N 3.70 3.96 -3.86 2.79 3.00 -0.61 -4.87 118.16 122.27 2klc n LYS 96 Ca -0.05 -3.11 -0.10 0.00 -0.00 0.00 0.00 58.31 55.05 2klc n LYS 96 Cb 0.51 -2.82 -0.08 0.00 0.00 0.00 0.00 35.03 32.65 2klc n LYS 96 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2klc s THR 97 N 0.44 0.12 -0.01 3.15 -1.32 -1.26 -4.87 115.64 111.90 2klc s THR 97 Ca 0.53 -1.03 -0.25 0.00 -1.21 0.00 0.00 61.69 59.73 2klc s THR 97 Cb 0.16 -1.06 -0.18 0.00 -1.51 0.00 0.00 72.50 69.90 2klc s THR 97 CO -0.06 -0.57 1.24 0.06 -2.21 0.00 0.00 174.62 173.08 2klc h GLN 98 N 3.25 -0.16 -2.64 7.08 3.07 -2.06 -3.48 115.11 120.17 2klc h GLN 98 Ca -0.33 0.01 0.07 0.00 0.09 0.00 0.00 58.65 58.49 2klc h GLN 98 Cb 1.19 0.04 -0.12 0.00 0.08 0.00 0.00 27.48 28.67 2klc h GLN 98 CO 0.51 0.23 0.36 -0.80 0.09 0.00 0.00 178.83 179.22 2klc s ASN 99 N -5.43 -0.41 -0.57 0.06 0.01 -1.26 -5.12 114.94 102.23 2klc s ASN 99 Ca -0.15 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 51.93 2klc s ASN 99 Cb 0.02 0.52 0.14 0.00 0.41 0.00 0.00 41.25 42.34 2klc s ASN 99 CO 0.60 -0.87 0.32 -0.13 -1.51 0.00 0.00 177.10 175.52 2klc s ARG 100 N -3.47 2.08 0.00 -0.60 1.81 -1.26 -5.14 118.95 112.37 2klc s ARG 100 Ca 0.05 -2.80 0.24 0.00 -1.72 0.00 0.00 55.73 51.50 2klc s ARG 100 Cb -0.02 -3.30 1.43 0.00 -0.45 0.00 0.00 34.95 32.61 2klc s ARG 100 CO -0.07 -1.16 1.80 -0.35 -0.68 0.00 0.00 175.30 174.83