#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 0.98 0.25 -0.52 2.20 -1.26 -5.15 119.74 116.24 2klc s LYS 24 Ca 0.00 -1.05 -0.23 0.00 -0.36 0.00 0.00 55.97 54.33 2klc s LYS 24 Cb 0.00 -1.12 -0.09 0.00 -1.51 0.00 0.00 37.83 35.11 2klc s LYS 24 CO 0.00 0.26 0.81 -1.50 -0.36 0.00 0.00 175.35 174.56 2klc s ILE 25 N -1.20 4.40 -0.44 5.43 2.07 -1.26 -4.86 121.20 125.34 2klc s ILE 25 Ca 0.02 1.55 -0.29 0.00 -1.41 0.00 0.00 60.65 60.53 2klc s ILE 25 Cb -0.10 -3.96 0.03 0.00 0.13 0.00 0.00 42.46 38.55 2klc s ILE 25 CO 0.03 0.24 1.13 -0.32 -1.91 0.00 0.00 174.94 174.11 2klc s MET 26 N -1.86 3.80 -1.00 3.50 -2.45 0.31 -4.83 119.30 116.77 2klc s MET 26 Ca 0.44 0.68 -0.21 0.00 -1.25 0.00 0.00 55.69 55.35 2klc s MET 26 Cb -0.18 -3.87 0.08 0.00 1.25 0.00 0.00 34.83 32.11 2klc s MET 26 CO 0.23 -1.27 1.34 0.15 1.05 0.00 0.00 175.02 176.52 2klc s LYS 27 N 4.28 3.61 -0.37 4.11 -0.14 -1.26 -1.78 119.74 128.20 2klc s LYS 27 Ca 0.47 -1.40 -0.18 0.00 -1.36 0.00 0.00 55.97 53.50 2klc s LYS 27 Cb -0.08 -5.20 0.00 0.00 -1.68 0.00 0.00 37.83 30.87 2klc s LYS 27 CO 0.28 -2.05 0.52 0.08 -0.76 0.00 0.00 175.35 173.43 2klc s VAL 28 N 4.09 5.00 0.11 3.17 1.01 0.11 -1.41 120.40 132.48 2klc s VAL 28 Ca 0.41 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 2klc s VAL 28 Cb -0.02 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2klc s VAL 28 CO -0.09 -0.28 0.83 -0.89 0.00 0.00 0.00 175.10 174.67 2klc s THR 29 N 2.43 4.51 -0.11 3.92 2.01 -0.51 -0.91 115.64 126.97 2klc s THR 29 Ca 0.19 1.80 0.01 0.00 0.31 0.00 0.00 61.69 64.00 2klc s THR 29 Cb -0.15 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2klc s THR 29 CO 0.14 0.41 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.64 2klc s VAL 30 N -0.45 1.48 -0.29 3.82 1.01 0.04 -0.44 120.40 125.56 2klc s VAL 30 Ca 0.40 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2klc s VAL 30 Cb -0.22 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2klc s VAL 30 CO 0.26 0.44 0.37 -0.75 0.00 0.00 0.00 175.10 175.42 2klc s LYS 31 N 1.07 3.89 0.40 2.72 2.36 -0.27 -1.62 119.74 128.28 2klc s LYS 31 Ca -0.05 -0.10 0.08 0.00 -2.55 0.00 0.00 55.97 53.35 2klc s LYS 31 Cb -0.15 -3.70 -0.03 0.00 -1.05 0.00 0.00 37.83 32.91 2klc s LYS 31 CO -0.03 -0.35 0.31 0.95 1.55 0.00 0.00 175.35 177.79 2klc s THR 32 N 2.06 2.75 -2.00 3.43 -4.23 -0.09 -1.47 115.64 116.08 2klc s THR 32 Ca 0.14 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2klc s THR 32 Cb -0.16 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.77 2klc s THR 32 CO 0.11 -0.04 0.60 -0.81 -0.54 0.00 0.00 174.62 173.94 2klc n PRO 33 N -1.44 0.23 0.04 3.99 -0.04 -1.26 -3.23 135.00 133.29 2klc n PRO 33 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2klc n PRO 33 Cb 0.62 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2klc n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2klc n LYS 34 N -0.77 0.00 -0.84 0.54 4.01 -1.26 -5.05 118.16 114.79 2klc n LYS 34 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 2klc n LYS 34 Cb 0.01 -0.48 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 2klc n LYS 34 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2klc n GLU 35 N -3.39 0.03 -4.49 1.97 0.28 -1.20 -5.18 120.64 108.67 2klc n GLU 35 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 2klc n GLU 35 Cb 0.10 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.84 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 -0.26 1.14 0.07 3.44 -2.85 -1.26 -0.91 119.74 119.10 2klc s LYS 36 Ca 0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2klc s LYS 36 Cb 0.00 -1.19 -0.04 0.00 -2.06 0.00 0.00 37.83 34.54 2klc s LYS 36 CO 0.00 0.30 -0.04 -2.00 0.10 0.00 0.00 175.35 173.71 2klc s GLU 37 N -1.12 0.71 -0.04 1.78 2.56 -0.64 -5.00 118.70 116.94 2klc s GLU 37 Ca 0.04 -1.27 0.05 0.00 0.00 0.00 0.00 54.97 53.80 2klc s GLU 37 Cb -0.08 0.05 -0.01 0.00 2.00 0.00 0.00 34.13 36.09 2klc s GLU 37 CO 0.01 -0.08 -0.21 -2.00 -0.56 0.00 0.00 175.26 172.43 2klc s GLU 38 N -3.89 2.08 0.03 4.30 -6.30 -1.26 -0.78 118.70 112.88 2klc s GLU 38 Ca 0.09 -0.76 0.07 0.00 -2.50 0.00 0.00 54.97 51.87 2klc s GLU 38 Cb 0.07 -1.82 -0.02 0.00 0.00 0.00 0.00 34.13 32.36 2klc s GLU 38 CO -0.08 0.34 -0.20 -0.06 0.02 0.00 0.00 175.26 175.28 2klc s PHE 39 N -0.14 1.74 -0.25 5.30 0.40 -0.09 -4.96 117.98 119.99 2klc s PHE 39 Ca -0.02 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 55.87 2klc s PHE 39 Cb -0.12 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 2klc s PHE 39 CO 0.02 0.05 0.11 0.00 0.70 0.00 0.00 175.22 176.11 2klc s ALA 40 N -0.71 3.34 -0.01 5.36 0.00 -1.26 -0.71 121.76 127.76 2klc s ALA 40 Ca 0.07 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2klc s ALA 40 Cb -0.08 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.86 2klc s ALA 40 CO 0.01 -0.38 -0.03 0.14 0.00 0.00 0.00 175.76 175.50 2klc s VAL 41 N 1.42 0.28 0.00 0.00 -7.23 -0.73 -4.94 120.40 109.19 2klc s VAL 41 Ca 0.06 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 2klc s VAL 41 Cb -0.15 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.51 2klc s VAL 41 CO 0.05 0.11 0.74 -0.81 -0.31 0.00 0.00 175.10 174.89 2klc n PRO 42 N 3.39 0.54 -1.03 4.82 -0.04 -1.26 -0.53 135.00 140.89 2klc n PRO 42 Ca -0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.27 2klc n PRO 42 Cb 0.56 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 1.11 -1.42 0.00 0.54 1.02 -1.26 -4.65 120.64 115.98 2klc n GLU 43 Ca 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2klc n GLU 43 Cb 0.27 -4.50 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 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 -0.71 1.40 -4.60 1.62 2.85 -1.26 -4.73 115.26 109.83 2klc n ASN 44 Ca -0.01 -0.06 -0.44 0.00 -0.11 0.00 0.00 54.58 53.96 2klc n ASN 44 Cb 0.37 0.39 -0.04 0.00 1.24 0.00 0.00 39.78 41.75 2klc n ASN 44 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2klc n SER 45 N -0.53 3.35 -4.65 1.20 7.64 -1.26 -4.97 113.62 114.40 2klc n SER 45 Ca 0.00 0.43 -0.30 0.00 1.01 0.00 0.00 58.87 60.01 2klc n SER 45 Cb 0.00 -1.50 0.17 0.00 -1.01 0.00 0.00 64.21 61.87 2klc n SER 45 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2klc s SER 46 N 7.06 2.78 0.53 6.43 1.04 -1.26 -4.19 113.70 126.10 2klc s SER 46 Ca 0.99 1.95 0.22 0.00 0.48 0.00 0.00 55.95 59.58 2klc s SER 46 Cb -0.44 -2.48 1.38 0.00 0.10 0.00 0.00 66.02 64.59 2klc s SER 46 CO 0.39 -3.15 2.09 0.58 0.98 0.00 0.00 173.24 174.13 2klc h VAL 47 N -1.90 0.82 -0.98 5.02 2.07 -1.49 -0.47 116.25 119.32 2klc h VAL 47 Ca -0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2klc h VAL 47 Cb 1.28 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2klc h VAL 47 CO 0.46 0.00 0.64 -0.61 0.02 0.00 0.00 177.57 178.08 2klc h GLN 48 N 0.00 1.23 0.00 1.57 4.15 -1.74 -1.66 115.11 118.66 2klc h GLN 48 Ca 0.11 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.26 2klc h GLN 48 Cb 0.46 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2klc h GLN 48 CO -0.00 0.81 -1.03 0.37 -1.93 0.00 0.00 178.83 177.05 2klc h GLN 49 N 1.26 0.00 0.02 1.69 4.15 -1.63 -3.39 115.11 117.21 2klc h GLN 49 Ca 0.38 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.74 2klc h GLN 49 Cb -0.05 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.64 2klc h GLN 49 CO -0.11 0.78 -0.24 0.35 -1.93 0.00 0.00 178.83 177.68 2klc h PHE 50 N 0.00 0.21 0.00 3.99 3.57 -0.63 -3.22 116.94 120.85 2klc h PHE 50 Ca -0.06 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2klc h PHE 50 Cb 1.72 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.44 2klc h PHE 50 CO 0.00 0.98 0.00 1.57 -2.23 0.00 0.00 178.31 178.63 2klc h LYS 51 N -0.62 0.00 0.12 1.11 -0.00 -1.54 -1.70 116.57 113.94 2klc h LYS 51 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 2klc h LYS 51 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 2klc h LYS 51 CO 0.05 0.00 -0.06 0.93 -0.00 0.00 0.00 179.45 180.37 2klc h GLU 52 N 0.00 -0.16 -0.80 0.07 4.39 -1.75 -0.29 114.58 116.04 2klc h GLU 52 Ca 0.00 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2klc h GLU 52 Cb 0.33 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 2klc h GLU 52 CO 0.00 0.01 0.52 0.93 -1.16 0.00 0.00 179.01 179.31 2klc h GLU 53 N -0.30 0.99 -0.14 2.33 4.39 -1.38 -2.89 114.58 117.58 2klc h GLU 53 Ca -0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2klc h GLU 53 Cb 0.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2klc h GLU 53 CO 0.03 0.65 0.04 0.82 -1.16 0.00 0.00 179.01 179.39 2klc h ILE 54 N 1.02 1.18 -0.17 3.13 2.04 -1.38 -2.81 117.51 120.51 2klc h ILE 54 Ca 0.32 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2klc h ILE 54 Cb -0.02 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2klc h ILE 54 CO -0.10 0.16 0.09 0.28 0.00 0.00 0.00 178.15 178.58 2klc h SER 55 N 0.04 0.22 0.65 1.72 0.02 -0.85 -1.46 113.55 113.90 2klc h SER 55 Ca 0.04 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 2klc h SER 55 Cb 0.22 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2klc h SER 55 CO -0.00 0.28 -0.27 0.07 -1.14 0.00 0.00 176.83 175.76 2klc h LYS 56 N 0.16 0.00 -0.45 3.45 2.10 -1.62 0.22 116.57 120.42 2klc h LYS 56 Ca 0.06 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.58 2klc h LYS 56 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 2klc h LYS 56 CO -0.01 0.27 -0.22 -0.09 -2.00 0.00 0.00 179.45 177.40 2klc h ARG 57 N 0.00 0.95 -0.28 0.07 9.65 -1.10 -3.21 114.38 120.46 2klc h ARG 57 Ca -0.00 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2klc h ARG 57 Cb 0.67 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2klc h ARG 57 CO 0.04 1.08 0.00 1.19 2.80 0.00 0.00 179.97 185.08 2klc n PHE 58 N -4.14 0.97 -3.69 2.20 3.72 -0.62 -4.91 117.46 110.99 2klc n PHE 58 Ca -0.01 -0.85 -0.27 0.00 -0.05 0.00 0.00 57.45 56.27 2klc n PHE 58 Cb 0.46 -0.31 0.04 0.00 -0.94 0.00 0.00 39.48 38.72 2klc n PHE 58 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2klc n LYS 59 N -0.41 -5.75 -4.52 -1.08 4.76 0.61 -4.30 118.16 107.46 2klc n LYS 59 Ca 0.21 0.67 -0.24 0.00 -2.87 0.00 0.00 58.31 56.08 2klc n LYS 59 Cb 0.89 -5.58 -0.11 0.00 -1.84 0.00 0.00 35.03 28.39 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 -3.17 2.99 -0.17 4.39 0.01 -0.22 -4.95 113.70 112.58 2klc s SER 60 Ca 0.59 -1.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.37 2klc s SER 60 Cb -0.29 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 2klc s SER 60 CO 0.72 -0.54 0.18 -2.28 0.41 0.00 0.00 173.24 171.73 2klc s HIS 61 N -3.05 3.47 0.45 2.43 2.46 -1.26 -4.19 115.29 115.60 2klc s HIS 61 Ca 0.36 0.46 0.28 0.00 0.47 0.00 0.00 55.06 56.63 2klc s HIS 61 Cb 0.09 -2.16 1.33 0.00 -0.13 0.00 0.00 32.58 31.71 2klc s HIS 61 CO 0.17 0.38 1.73 1.79 -2.47 0.00 0.00 174.74 176.34 2klc h THR 62 N 4.49 0.35 -0.54 0.89 1.35 -1.93 -1.61 112.91 115.91 2klc h THR 62 Ca -0.44 -0.07 0.09 0.00 -0.55 0.00 0.00 66.41 65.44 2klc h THR 62 Cb 1.17 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 2klc h THR 62 CO 0.72 0.04 0.37 -0.78 -0.25 0.00 0.00 175.52 175.61 2klc h ASP 63 N 0.20 0.33 -0.12 5.36 3.58 -1.97 -2.03 116.42 121.76 2klc h ASP 63 Ca 0.67 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.13 2klc h ASP 63 Cb 2.10 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 43.09 2klc h ASP 63 CO -0.25 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.31 2klc n GLN 64 N -4.47 2.24 -3.69 0.28 10.64 -0.60 -4.85 117.38 116.93 2klc n GLN 64 Ca 0.08 -1.83 -0.37 0.00 -1.83 0.00 0.00 57.00 53.06 2klc n GLN 64 Cb 0.35 -1.47 -0.12 0.00 -0.86 0.00 0.00 30.24 28.14 2klc n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2klc s LEU 65 N -1.85 3.71 -0.10 2.61 1.02 -0.76 -1.90 118.68 121.41 2klc s LEU 65 Ca 0.32 -0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.40 2klc s LEU 65 Cb 0.21 -2.01 0.00 0.00 0.02 0.00 0.00 46.19 44.41 2klc s LEU 65 CO 0.31 -0.03 -0.21 0.68 0.02 0.00 0.00 176.35 177.11 2klc s VAL 66 N 1.63 1.87 0.31 -1.59 -7.23 -0.87 -4.97 120.40 109.55 2klc s VAL 66 Ca 0.07 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 2klc s VAL 66 Cb -0.15 -1.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.06 2klc s VAL 66 CO 0.07 0.52 0.71 -0.76 -0.31 0.00 0.00 175.10 175.33 2klc s LEU 67 N 0.50 4.08 -0.03 1.32 1.43 -1.26 -1.54 118.68 123.18 2klc s LEU 67 Ca -0.16 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 2klc s LEU 67 Cb -0.17 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.03 2klc s LEU 67 CO 0.06 -0.19 -0.05 -0.63 0.23 0.00 0.00 176.35 175.77 2klc s ILE 68 N -1.96 0.51 -0.15 -0.59 1.09 -0.05 -0.37 121.20 119.67 2klc s ILE 68 Ca 0.53 -0.17 -0.13 0.00 -1.10 0.00 0.00 60.65 59.78 2klc s ILE 68 Cb -0.10 -0.50 0.04 0.00 -1.06 0.00 0.00 42.46 40.84 2klc s ILE 68 CO 0.18 0.19 0.40 0.12 -0.10 0.00 0.00 174.94 175.73 2klc s PHE 69 N 0.49 -0.45 -1.69 3.97 5.36 -0.57 -1.65 117.98 123.44 2klc s PHE 69 Ca -0.06 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 2klc s PHE 69 Cb -0.10 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 2klc s PHE 69 CO -0.00 -0.22 0.00 0.00 -1.46 0.00 0.00 175.22 173.53 2klc n ALA 70 N 3.03 -0.24 -0.16 11.12 0.00 -1.26 -2.55 120.51 130.44 2klc n ALA 70 Ca -0.14 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2klc n ALA 70 Cb 0.57 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.73 0.79 3.17 0.00 0.00 -1.26 -5.08 105.19 102.07 2klc n GLY 71 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.84 0.81 -0.10 1.61 0.00 -1.06 -5.13 119.74 115.04 2klc s LYS 72 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 55.97 54.65 2klc s LYS 72 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 37.83 37.11 2klc s LYS 72 CO 0.00 0.14 1.38 0.96 0.00 0.00 0.00 175.35 177.83 2klc s ILE 73 N -1.72 4.01 -0.19 3.79 -0.00 -1.26 -1.51 121.20 124.32 2klc s ILE 73 Ca 0.00 1.26 -0.29 0.00 -0.00 0.00 0.00 60.65 61.62 2klc s ILE 73 Cb -0.07 -3.81 -0.02 0.00 -0.00 0.00 0.00 42.46 38.56 2klc s ILE 73 CO 0.02 -0.09 1.37 -0.76 -0.00 0.00 0.00 174.94 175.48 2klc s LEU 74 N 3.39 4.09 0.42 0.37 1.43 0.50 -4.96 118.68 123.92 2klc s LEU 74 Ca 0.61 1.64 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 2klc s LEU 74 Cb -0.26 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.43 2klc s LEU 74 CO 0.21 -0.93 0.57 -0.54 0.23 0.00 0.00 176.35 175.89 2klc s LYS 75 N 3.90 2.86 0.53 1.70 -0.14 -1.26 -4.20 119.74 123.13 2klc s LYS 75 Ca 0.60 -1.15 0.25 0.00 -1.36 0.00 0.00 55.97 54.31 2klc s LYS 75 Cb -0.22 -2.75 1.48 0.00 -1.68 0.00 0.00 37.83 34.66 2klc s LYS 75 CO 0.21 -0.25 2.12 0.38 -0.76 0.00 0.00 175.35 177.04 2klc h ASP 76 N 0.63 0.00 1.21 2.83 2.03 -1.96 -1.20 116.42 119.97 2klc h ASP 76 Ca -0.41 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.86 2klc h ASP 76 Cb 1.28 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2klc h ASP 76 CO 0.47 0.09 -0.14 0.06 -1.03 0.00 0.00 179.24 178.70 2klc h GLN 77 N 0.00 0.00 -7.22 4.15 3.07 -1.97 -3.25 115.11 109.89 2klc h GLN 77 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 2klc h GLN 77 Cb 0.22 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.81 2klc h GLN 77 CO 0.01 0.14 0.36 -0.51 0.09 0.00 0.00 178.83 178.92 2klc s ASP 78 N -6.06 6.47 0.05 0.06 1.11 -0.45 -4.99 116.67 112.85 2klc s ASP 78 Ca 0.02 1.46 0.07 0.00 0.18 0.00 0.00 52.55 54.29 2klc s ASP 78 Cb 0.09 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 2klc s ASP 78 CO 0.62 -0.67 -0.19 0.42 1.18 0.00 0.00 175.17 176.54 2klc s THR 79 N -2.80 2.76 0.31 -1.27 -4.23 -1.26 -1.55 115.64 107.59 2klc s THR 79 Ca 0.57 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 2klc s THR 79 Cb -0.10 -2.17 0.28 0.00 1.34 0.00 0.00 72.50 71.84 2klc s THR 79 CO 0.40 0.30 1.93 0.17 -0.54 0.00 0.00 174.62 176.87 2klc h LEU 80 N 4.43 0.90 -0.76 4.79 8.10 -1.88 -2.52 115.31 128.36 2klc h LEU 80 Ca -0.48 -0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.45 2klc h LEU 80 Cb 1.16 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 41.15 2klc h LEU 80 CO 0.47 0.59 0.25 -1.28 -4.11 0.00 0.00 178.44 174.36 2klc h SER 81 N 1.03 1.09 0.33 0.17 0.87 -1.85 -1.74 113.55 113.45 2klc h SER 81 Ca 0.37 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 2klc h SER 81 Cb 0.14 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2klc h SER 81 CO -0.13 1.00 -0.40 -0.61 -0.53 0.00 0.00 176.83 176.17 2klc h GLN 82 N 1.12 0.10 -0.68 2.24 4.15 -1.78 -3.03 115.11 117.23 2klc h GLN 82 Ca 0.25 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2klc h GLN 82 Cb 0.29 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2klc h GLN 82 CO -0.01 0.48 0.00 1.58 -1.93 0.00 0.00 178.83 178.95 2klc n HIS 83 N -4.05 1.54 -0.59 3.99 -0.00 -0.98 -4.90 115.22 110.24 2klc n HIS 83 Ca -0.02 -0.54 0.00 0.00 0.46 0.00 0.00 57.72 57.63 2klc n HIS 83 Cb 0.45 -0.39 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2klc n HIS 83 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2klc n GLY 84 N 0.53 0.69 3.83 1.57 0.00 -1.14 -4.91 105.19 105.75 2klc n GLY 84 Ca 0.21 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 4.83 0.37 -0.61 1.01 -0.69 -5.04 121.20 119.08 2klc s ILE 85 Ca 0.00 1.00 -0.06 0.00 0.00 0.00 0.00 60.65 61.58 2klc s ILE 85 Cb 0.00 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.69 2klc s ILE 85 CO 0.00 0.42 0.60 -2.28 0.00 0.00 0.00 174.94 173.68 2klc s HIS 86 N -1.26 0.78 0.15 3.97 2.46 -1.26 -4.11 115.29 116.01 2klc s HIS 86 Ca 0.32 -1.17 -0.31 0.00 0.47 0.00 0.00 55.06 54.37 2klc s HIS 86 Cb -0.17 0.25 -0.10 0.00 -0.13 0.00 0.00 32.58 32.43 2klc s HIS 86 CO 0.18 -1.33 1.69 0.16 -2.47 0.00 0.00 174.74 172.97 2klc s ASP 87 N -3.20 6.49 0.00 9.88 -4.77 -1.26 -2.00 116.67 121.82 2klc s ASP 87 Ca 0.25 2.69 0.00 0.00 -3.30 0.00 0.00 52.55 52.20 2klc s ASP 87 Cb -0.02 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2klc s ASP 87 CO 0.18 -0.92 0.00 0.61 0.70 0.00 0.00 175.17 175.74 2klc n GLY 88 N 3.98 0.77 3.93 2.12 0.00 -0.50 -4.89 105.19 110.59 2klc n GLY 88 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2klc n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klc s LEU 89 N 0.00 3.63 0.17 0.99 1.43 -0.85 -4.91 118.68 119.15 2klc s LEU 89 Ca 0.00 0.56 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 2klc s LEU 89 Cb 0.00 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2klc s LEU 89 CO 0.00 -0.67 -0.13 -0.89 0.23 0.00 0.00 176.35 174.90 2klc s THR 90 N -2.64 3.04 0.05 5.49 2.01 -1.26 -1.43 115.64 120.90 2klc s THR 90 Ca 0.48 -1.67 0.07 0.00 0.31 0.00 0.00 61.69 60.87 2klc s THR 90 Cb -0.10 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2klc s THR 90 CO 0.41 -0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.39 2klc s VAL 91 N -1.61 1.49 0.09 3.82 1.01 0.42 -4.94 120.40 120.68 2klc s VAL 91 Ca 0.23 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 2klc s VAL 91 Cb -0.09 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.90 2klc s VAL 91 CO 0.14 0.11 0.72 -1.00 0.00 0.00 0.00 175.10 175.07 2klc s HIS 92 N -0.86 3.80 -0.04 5.22 3.76 -0.66 -1.12 115.29 125.40 2klc s HIS 92 Ca 0.05 1.46 0.04 0.00 -0.15 0.00 0.00 55.06 56.47 2klc s HIS 92 Cb -0.09 -2.72 -0.00 0.00 1.11 0.00 0.00 32.58 30.88 2klc s HIS 92 CO 0.02 0.42 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.99 2klc s LEU 93 N -0.63 1.93 -0.24 0.89 2.96 -0.54 -0.87 118.68 122.18 2klc s LEU 93 Ca 0.35 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2klc s LEU 93 Cb -0.21 -0.95 0.06 0.00 0.50 0.00 0.00 46.19 45.59 2klc s LEU 93 CO 0.23 0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.64 2klc s VAL 94 N -0.04 1.83 -0.15 1.68 1.01 -0.59 -4.19 120.40 119.95 2klc s VAL 94 Ca -0.02 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 2klc s VAL 94 Cb -0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2klc s VAL 94 CO 0.02 -0.02 0.11 -0.63 0.00 0.00 0.00 175.10 174.58 2klc s ILE 95 N 1.27 5.23 -1.07 2.22 1.01 -1.26 -2.05 121.20 126.55 2klc s ILE 95 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2klc s ILE 95 Cb -0.19 -3.31 0.31 0.00 0.01 0.00 0.00 42.46 39.28 2klc s ILE 95 CO -0.06 0.54 1.53 1.17 0.00 0.00 0.00 174.94 178.12 2klc n LYS 96 N 2.68 4.62 0.00 2.79 0.00 -0.80 -4.75 118.16 122.69 2klc n LYS 96 Ca -0.18 -4.57 0.00 0.00 0.00 0.00 0.00 58.31 53.56 2klc n LYS 96 Cb 0.54 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 33.06 2klc n LYS 96 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2klc n THR 97 N 1.14 0.00 0.00 3.15 -2.24 -1.26 -4.98 114.28 110.09 2klc n THR 97 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2klc n THR 97 Cb 0.32 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2klc n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2klc n GLN 98 N 0.00 0.00 -3.23 -0.78 10.64 -1.26 -5.10 117.38 117.65 2klc n GLN 98 Ca 0.00 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.21 2klc n GLN 98 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 2klc n GLN 98 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2klc s ASN 99 N 0.00 -0.87 -0.05 2.61 4.22 -1.26 -5.07 114.94 114.52 2klc s ASN 99 Ca 0.00 0.69 0.02 0.00 -2.14 0.00 0.00 52.86 51.42 2klc s ASN 99 Cb 0.00 1.79 0.02 0.00 1.28 0.00 0.00 41.25 44.33 2klc s ASN 99 CO 0.00 -0.16 -0.08 -0.13 -2.04 0.00 0.00 177.10 174.68 2klc s ARG 100 N 2.83 1.23 0.00 3.55 1.81 -1.26 -5.17 118.95 121.94 2klc s ARG 100 Ca 0.06 -0.26 0.31 0.00 -1.72 0.00 0.00 55.73 54.12 2klc s ARG 100 Cb -0.11 -1.09 1.82 0.00 -0.45 0.00 0.00 34.95 35.12 2klc s ARG 100 CO -0.16 -0.01 2.15 -0.35 -0.68 0.00 0.00 175.30 176.25