#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 1.18 0.36 -0.52 2.20 -1.26 -5.15 119.74 116.54 2klc s LYS 24 Ca 0.00 -1.27 -0.19 0.00 -0.36 0.00 0.00 55.97 54.16 2klc s LYS 24 Cb 0.00 -1.33 -0.10 0.00 -1.51 0.00 0.00 37.83 34.89 2klc s LYS 24 CO 0.00 0.29 0.84 -1.50 -0.36 0.00 0.00 175.35 174.62 2klc s ILE 25 N -1.59 4.52 -0.48 5.43 2.07 -1.26 -4.96 121.20 124.92 2klc s ILE 25 Ca 0.10 1.25 -0.29 0.00 -1.41 0.00 0.00 60.65 60.31 2klc s ILE 25 Cb -0.08 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.89 2klc s ILE 25 CO 0.05 -0.19 1.13 -0.32 -1.91 0.00 0.00 174.94 173.70 2klc s MET 26 N -2.94 3.70 -0.96 3.50 -2.45 0.05 -4.86 119.30 115.35 2klc s MET 26 Ca 0.56 0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 55.33 2klc s MET 26 Cb -0.11 -3.91 0.09 0.00 1.25 0.00 0.00 34.83 32.15 2klc s MET 26 CO 0.16 -1.39 1.26 0.15 1.05 0.00 0.00 175.02 176.25 2klc s LYS 27 N 4.45 3.58 -0.45 4.11 -0.14 -1.26 -1.61 119.74 128.41 2klc s LYS 27 Ca 0.47 -1.44 -0.18 0.00 -1.36 0.00 0.00 55.97 53.46 2klc s LYS 27 Cb -0.07 -5.08 0.03 0.00 -1.68 0.00 0.00 37.83 31.04 2klc s LYS 27 CO 0.32 -1.97 0.52 0.08 -0.76 0.00 0.00 175.35 173.54 2klc s VAL 28 N 3.75 4.99 0.17 3.17 1.01 -0.45 -0.90 120.40 132.14 2klc s VAL 28 Ca 0.38 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 2klc s VAL 28 Cb -0.03 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 2klc s VAL 28 CO -0.09 -0.56 0.78 -0.89 0.00 0.00 0.00 175.10 174.34 2klc s THR 29 N 2.37 4.37 -0.11 3.92 2.01 -0.43 -0.67 115.64 127.10 2klc s THR 29 Ca 0.15 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.86 2klc s THR 29 Cb -0.17 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.22 2klc s THR 29 CO 0.14 0.51 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.74 2klc s VAL 30 N -1.16 1.49 -0.30 3.82 1.01 0.07 -1.09 120.40 124.22 2klc s VAL 30 Ca 0.36 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2klc s VAL 30 Cb -0.23 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2klc s VAL 30 CO 0.26 0.44 0.30 -0.75 0.00 0.00 0.00 175.10 175.35 2klc s LYS 31 N 1.05 3.79 0.33 2.72 2.36 -0.09 -1.33 119.74 128.57 2klc s LYS 31 Ca -0.05 -0.29 0.08 0.00 -2.55 0.00 0.00 55.97 53.15 2klc s LYS 31 Cb -0.15 -3.72 -0.03 0.00 -1.05 0.00 0.00 37.83 32.88 2klc s LYS 31 CO -0.03 -0.35 0.27 0.95 1.55 0.00 0.00 175.35 177.74 2klc s THR 32 N 1.93 3.48 0.63 3.43 -4.23 -0.11 -0.73 115.64 120.03 2klc s THR 32 Ca 0.11 -1.42 0.35 0.00 -1.18 0.00 0.00 61.69 59.55 2klc s THR 32 Cb -0.16 -3.16 0.38 0.00 1.34 0.00 0.00 72.50 70.90 2klc s THR 32 CO 0.11 -0.18 2.23 1.55 -0.54 0.00 0.00 174.62 177.79 2klc h PRO 33 N 1.29 0.00 0.00 3.99 0.13 -1.99 -3.24 132.00 132.18 2klc h PRO 33 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2klc h PRO 33 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2klc h PRO 33 CO 0.59 0.00 -0.18 0.87 -0.23 0.00 0.00 178.00 179.05 2klc h LYS 34 N 0.00 0.00 0.00 0.86 6.56 -1.95 -3.51 116.57 118.53 2klc h LYS 34 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2klc h LYS 34 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2klc h LYS 34 CO -0.00 0.00 0.00 -0.85 -2.06 0.00 0.00 179.45 176.54 2klc n GLU 35 N -3.16 1.00 -4.28 3.15 0.28 -1.22 -5.17 120.64 111.23 2klc n GLU 35 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.77 2klc n GLU 35 Cb 0.09 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.80 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 -1.21 1.03 -0.04 3.44 -2.85 -1.26 -0.93 119.74 117.92 2klc s LYS 36 Ca 0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 55.97 54.78 2klc s LYS 36 Cb 0.00 -0.96 0.02 0.00 -2.06 0.00 0.00 37.83 34.84 2klc s LYS 36 CO 0.00 -0.03 -0.03 -2.00 0.10 0.00 0.00 175.35 173.39 2klc s GLU 37 N 0.76 0.60 -0.33 1.78 2.56 -0.44 -4.97 118.70 118.66 2klc s GLU 37 Ca -0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 54.97 54.70 2klc s GLU 37 Cb -0.14 -0.68 -0.02 0.00 2.00 0.00 0.00 34.13 35.28 2klc s GLU 37 CO 0.01 -0.10 0.24 -2.00 -0.56 0.00 0.00 175.26 172.85 2klc s GLU 38 N 0.94 3.61 0.52 4.30 2.12 -1.26 -0.76 118.70 128.17 2klc s GLU 38 Ca -0.11 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 2klc s GLU 38 Cb -0.14 -3.77 -0.00 0.00 0.26 0.00 0.00 34.13 30.47 2klc s GLU 38 CO -0.01 -0.39 0.80 -0.06 -0.54 0.00 0.00 175.26 175.06 2klc s PHE 39 N 1.75 3.31 -0.20 5.30 0.40 0.16 -4.93 117.98 123.76 2klc s PHE 39 Ca 0.07 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 56.92 2klc s PHE 39 Cb -0.17 -2.50 0.06 0.00 0.51 0.00 0.00 43.02 40.92 2klc s PHE 39 CO 0.11 -0.55 0.00 0.00 0.70 0.00 0.00 175.22 175.48 2klc s ALA 40 N -2.79 1.34 -0.00 5.36 0.00 -1.26 -1.34 121.76 123.07 2klc s ALA 40 Ca 0.51 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.60 2klc s ALA 40 Cb -0.10 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2klc s ALA 40 CO 0.43 -1.15 -0.17 0.14 0.00 0.00 0.00 175.76 175.01 2klc s VAL 41 N 1.69 1.31 -0.08 0.00 -7.23 -0.64 -4.93 120.40 110.52 2klc s VAL 41 Ca -0.02 -0.76 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2klc s VAL 41 Cb -0.18 -1.10 -0.21 0.00 0.56 0.00 0.00 36.38 35.45 2klc s VAL 41 CO -0.07 0.32 3.48 -0.81 -0.31 0.00 0.00 175.10 177.71 2klc n PRO 42 N 2.55 2.07 -0.88 4.82 -0.04 -1.26 -0.77 135.00 141.49 2klc n PRO 42 Ca -0.15 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 2klc n PRO 42 Cb 0.54 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 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 2.23 -1.30 -0.03 0.54 1.02 -1.26 -4.69 120.64 117.15 2klc n GLU 43 Ca 0.44 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.87 2klc n GLU 43 Cb 0.86 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 27.58 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 -0.65 3.25 -4.55 1.62 2.85 -1.26 -4.92 115.26 111.59 2klc n ASN 44 Ca 0.00 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.10 2klc n ASN 44 Cb 0.33 0.69 -0.03 0.00 1.24 0.00 0.00 39.78 42.01 2klc n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2klc s SER 45 N -3.85 4.58 1.22 1.20 0.01 -1.26 -4.98 113.70 110.62 2klc s SER 45 Ca -0.03 0.94 -0.17 0.00 1.31 0.00 0.00 55.95 58.00 2klc s SER 45 Cb 0.02 -2.51 0.29 0.00 0.21 0.00 0.00 66.02 64.04 2klc s SER 45 CO 0.29 -2.79 1.03 -0.94 0.41 0.00 0.00 173.24 171.23 2klc s SER 46 N 11.45 0.64 0.39 2.44 1.04 -1.26 -4.63 113.70 123.78 2klc s SER 46 Ca 0.92 1.08 0.09 0.00 0.48 0.00 0.00 55.95 58.52 2klc s SER 46 Cb -0.16 -1.63 0.87 0.00 0.10 0.00 0.00 66.02 65.19 2klc s SER 46 CO 0.25 -4.35 1.97 0.58 0.98 0.00 0.00 173.24 172.67 2klc h VAL 47 N -2.73 0.97 -0.57 5.02 2.07 -1.74 0.24 116.25 119.52 2klc h VAL 47 Ca -0.53 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2klc h VAL 47 Cb 1.33 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2klc h VAL 47 CO 0.43 0.11 0.35 -0.61 0.02 0.00 0.00 177.57 177.87 2klc h GLN 48 N 0.60 0.77 0.00 1.57 4.15 -1.76 -2.76 115.11 117.68 2klc h GLN 48 Ca 0.29 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.65 2klc h GLN 48 Cb 0.36 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2klc h GLN 48 CO -0.09 0.54 -1.61 0.94 -1.93 0.00 0.00 178.83 176.68 2klc n GLN 49 N -4.42 0.63 0.08 1.69 -0.06 -0.66 -4.49 117.38 110.15 2klc n GLN 49 Ca 0.05 -0.08 -0.23 0.00 -2.00 0.00 0.00 57.00 54.75 2klc n GLN 49 Cb 0.07 -1.63 -0.15 0.00 -4.06 0.00 0.00 30.24 24.47 2klc n GLN 49 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 2klc h PHE 50 N 0.00 0.72 0.00 3.69 3.57 -0.36 -3.23 116.94 121.33 2klc h PHE 50 Ca 0.00 -0.52 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2klc h PHE 50 Cb 0.99 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.70 2klc h PHE 50 CO 0.00 1.50 0.00 1.57 -2.23 0.00 0.00 178.31 179.15 2klc h LYS 51 N -0.10 0.00 -0.30 1.11 -0.00 -1.74 -1.00 116.57 114.54 2klc h LYS 51 Ca -0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.40 2klc h LYS 51 Cb 1.93 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 34.14 2klc h LYS 51 CO 0.19 0.00 0.16 0.93 -0.00 0.00 0.00 179.45 180.73 2klc h GLU 52 N 0.00 0.42 0.00 0.07 4.39 -1.78 -2.41 114.58 115.27 2klc h GLU 52 Ca 0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2klc h GLU 52 Cb 0.39 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2klc h GLU 52 CO 0.00 0.37 -0.16 0.93 -1.16 0.00 0.00 179.01 178.99 2klc h GLU 53 N 0.36 0.00 -0.03 2.33 5.08 -1.25 -2.73 114.58 118.34 2klc h GLU 53 Ca 0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2klc h GLU 53 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2klc h GLU 53 CO -0.02 0.16 -0.64 0.82 -1.00 0.00 0.00 179.01 178.33 2klc h ILE 54 N 0.00 1.43 -0.80 3.13 2.04 -1.31 -3.33 117.51 118.67 2klc h ILE 54 Ca -0.00 -2.14 0.06 0.00 1.00 0.00 0.00 64.86 63.78 2klc h ILE 54 Cb 0.98 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 2klc h ILE 54 CO 0.02 0.62 0.53 -1.28 0.00 0.00 0.00 178.15 178.04 2klc h SER 55 N 0.08 0.78 0.09 1.72 0.87 -1.10 -1.87 113.55 114.12 2klc h SER 55 Ca -0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 2klc h SER 55 Cb 1.15 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2klc h SER 55 CO 0.09 0.51 -0.63 0.07 -0.53 0.00 0.00 176.83 176.34 2klc h LYS 56 N 0.89 0.53 -0.08 2.24 2.10 -1.68 -2.05 116.57 118.52 2klc h LYS 56 Ca 0.34 -0.37 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2klc h LYS 56 Cb 0.20 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2klc h LYS 56 CO -0.12 0.99 -0.03 -0.09 -2.00 0.00 0.00 179.45 178.21 2klc h ARG 57 N 0.39 0.16 -0.42 0.07 9.65 -1.48 -3.00 114.38 119.74 2klc h ARG 57 Ca -0.01 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2klc h ARG 57 Cb 1.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2klc h ARG 57 CO 0.12 0.50 0.00 1.19 2.80 0.00 0.00 179.97 184.57 2klc n PHE 58 N -4.78 0.55 -1.68 2.20 3.72 -1.09 -4.97 117.46 111.40 2klc n PHE 58 Ca -0.07 -0.32 -0.17 0.00 -0.05 0.00 0.00 57.45 56.84 2klc n PHE 58 Cb 0.24 -0.00 -0.06 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 1.31 -1.49 -4.12 -1.08 4.01 -0.81 -4.62 118.16 111.35 2klc n LYS 59 Ca 0.18 0.96 -0.25 0.00 -0.51 0.00 0.00 58.31 58.69 2klc n LYS 59 Cb 0.56 -5.34 -0.06 0.00 -0.51 0.00 0.00 35.03 29.68 2klc n LYS 59 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2klc s SER 60 N -2.35 5.32 0.50 4.39 0.15 -0.96 -4.98 113.70 115.76 2klc s SER 60 Ca 0.00 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.22 2klc s SER 60 Cb 0.00 -1.32 -0.08 0.00 -1.71 0.00 0.00 66.02 62.91 2klc s SER 60 CO 0.00 0.05 1.04 -1.00 1.20 0.00 0.00 173.24 174.53 2klc s HIS 61 N -1.85 3.00 0.39 3.44 3.76 -1.26 -4.37 115.29 118.41 2klc s HIS 61 Ca 0.31 1.57 0.07 0.00 -0.15 0.00 0.00 55.06 56.85 2klc s HIS 61 Cb -0.09 -3.05 0.80 0.00 1.11 0.00 0.00 32.58 31.34 2klc s HIS 61 CO 0.22 -0.86 2.00 1.79 -0.85 0.00 0.00 174.74 177.05 2klc h THR 62 N 1.41 1.13 -0.21 1.30 1.35 -1.88 -1.23 112.91 114.79 2klc h THR 62 Ca -0.49 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 64.93 2klc h THR 62 Cb 1.22 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2klc h THR 62 CO 0.59 0.15 -0.11 -0.78 -0.25 0.00 0.00 175.52 175.12 2klc h ASP 63 N 0.50 0.31 0.22 5.36 3.58 -1.94 -3.23 116.42 121.22 2klc h ASP 63 Ca 0.13 -0.07 -0.31 0.00 0.42 0.00 0.00 57.03 57.20 2klc h ASP 63 Cb 0.07 -0.08 0.04 0.00 1.72 0.00 0.00 39.33 41.08 2klc h ASP 63 CO -0.02 0.46 -1.37 1.56 -2.88 0.00 0.00 179.24 177.00 2klc h GLN 64 N 0.31 0.53 -5.44 0.28 4.20 -1.59 -3.44 115.11 109.96 2klc h GLN 64 Ca 0.06 -0.87 -0.60 0.00 0.06 0.00 0.00 58.65 57.30 2klc h GLN 64 Cb 0.39 0.32 -0.11 0.00 0.30 0.00 0.00 27.48 28.38 2klc h GLN 64 CO 0.02 1.41 -0.18 -0.48 -0.67 0.00 0.00 178.83 178.93 2klc s LEU 65 N -7.68 4.15 -0.03 1.46 0.05 -0.94 -1.09 118.68 114.60 2klc s LEU 65 Ca -0.10 0.53 0.05 0.00 0.05 0.00 0.00 54.13 54.66 2klc s LEU 65 Cb 0.04 -2.54 -0.01 0.00 -2.05 0.00 0.00 46.19 41.63 2klc s LEU 65 CO 0.93 -0.09 -0.17 0.68 -0.55 0.00 0.00 176.35 177.15 2klc s VAL 66 N 1.35 1.41 0.09 1.48 -7.23 -0.64 -4.82 120.40 112.04 2klc s VAL 66 Ca 0.20 -0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 59.41 2klc s VAL 66 Cb -0.15 -1.20 -0.07 0.00 0.56 0.00 0.00 36.38 35.53 2klc s VAL 66 CO 0.08 0.40 0.69 -0.76 -0.31 0.00 0.00 175.10 175.21 2klc s LEU 67 N -0.13 4.53 -0.02 1.32 1.43 -1.26 -1.52 118.68 123.02 2klc s LEU 67 Ca 0.00 1.44 0.06 0.00 -1.03 0.00 0.00 54.13 54.61 2klc s LEU 67 Cb -0.10 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2klc s LEU 67 CO 0.01 0.18 -0.22 -0.63 0.23 0.00 0.00 176.35 175.92 2klc s ILE 68 N -0.80 1.74 -0.21 -0.59 1.09 -0.38 -0.95 121.20 121.10 2klc s ILE 68 Ca 0.34 -0.93 -0.28 0.00 -1.10 0.00 0.00 60.65 58.68 2klc s ILE 68 Cb -0.21 -1.45 0.12 0.00 -1.06 0.00 0.00 42.46 39.86 2klc s ILE 68 CO 0.22 0.49 1.00 0.12 -0.10 0.00 0.00 174.94 176.68 2klc s PHE 69 N -0.43 -0.42 -1.72 3.97 5.36 -0.06 -1.70 117.98 122.97 2klc s PHE 69 Ca 0.06 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 2klc s PHE 69 Cb -0.09 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 2klc s PHE 69 CO -0.00 -0.30 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 2klc n ALA 70 N 1.40 -0.30 -0.53 11.12 0.00 -1.26 -2.49 120.51 128.46 2klc n ALA 70 Ca -0.12 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2klc n ALA 70 Cb 0.57 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.93 0.72 3.23 0.00 0.00 -1.26 -5.06 105.19 101.88 2klc n GLY 71 Ca -0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.65 1.08 0.15 1.61 -2.85 -1.04 -5.15 119.74 112.89 2klc s LYS 72 Ca 0.00 -1.42 -0.27 0.00 -1.00 0.00 0.00 55.97 53.28 2klc s LYS 72 Cb 0.00 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 35.98 2klc s LYS 72 CO 0.00 -0.35 0.83 0.96 0.10 0.00 0.00 175.35 176.89 2klc s ILE 73 N -4.06 4.38 0.23 3.79 -0.00 -1.26 -0.88 121.20 123.40 2klc s ILE 73 Ca 0.26 1.81 -0.30 0.00 -0.00 0.00 0.00 60.65 62.42 2klc s ILE 73 Cb 0.06 -4.19 -0.09 0.00 -0.00 0.00 0.00 42.46 38.24 2klc s ILE 73 CO 0.04 0.47 1.12 -0.76 -0.00 0.00 0.00 174.94 175.81 2klc s LEU 74 N -0.84 4.51 0.35 0.37 1.43 -0.12 -4.91 118.68 119.47 2klc s LEU 74 Ca 0.38 2.20 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 2klc s LEU 74 Cb -0.23 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 2klc s LEU 74 CO 0.27 -0.22 0.37 -0.54 0.23 0.00 0.00 176.35 176.47 2klc s LYS 75 N -0.83 2.83 0.31 1.70 -0.14 -1.26 -4.71 119.74 117.63 2klc s LYS 75 Ca 0.48 -1.23 0.06 0.00 -1.36 0.00 0.00 55.97 53.91 2klc s LYS 75 Cb -0.31 -2.59 0.50 0.00 -1.68 0.00 0.00 37.83 33.75 2klc s LYS 75 CO 0.38 0.03 1.74 0.38 -0.76 0.00 0.00 175.35 177.13 2klc h ASP 76 N 1.08 0.33 0.73 2.83 2.03 -1.97 -1.88 116.42 119.57 2klc h ASP 76 Ca -0.44 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2klc h ASP 76 Cb 1.26 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2klc h ASP 76 CO 0.56 0.63 0.00 0.00 -1.03 0.00 0.00 179.24 179.39 2klc n GLN 77 N -4.10 0.20 -3.61 4.15 10.64 -1.26 -4.03 117.38 119.37 2klc n GLN 77 Ca -0.01 0.03 -0.32 0.00 -1.83 0.00 0.00 57.00 54.87 2klc n GLN 77 Cb 0.42 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.25 2klc n GLN 77 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2klc s ASP 78 N -2.78 6.53 0.07 2.61 2.15 -0.71 -5.07 116.67 119.47 2klc s ASP 78 Ca 0.20 0.68 0.06 0.00 0.43 0.00 0.00 52.55 53.92 2klc s ASP 78 Cb 0.18 -2.13 -0.04 0.00 -0.30 0.00 0.00 42.92 40.64 2klc s ASP 78 CO 0.46 0.03 -0.11 0.42 -0.17 0.00 0.00 175.17 175.80 2klc s THR 79 N -1.68 3.28 0.26 1.71 -4.23 -1.26 -2.56 115.64 111.15 2klc s THR 79 Ca 0.42 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 2klc s THR 79 Cb -0.12 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.50 2klc s THR 79 CO 0.23 0.22 1.91 0.17 -0.54 0.00 0.00 174.62 176.61 2klc h LEU 80 N 4.01 1.10 -1.68 4.79 8.10 -1.86 -1.92 115.31 127.85 2klc h LEU 80 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.46 2klc h LEU 80 Cb 1.16 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.13 2klc h LEU 80 CO 0.51 0.75 -0.15 -1.28 -4.11 0.00 0.00 178.44 174.16 2klc h SER 81 N 1.27 0.00 -0.11 0.17 0.87 -1.84 -1.03 113.55 112.88 2klc h SER 81 Ca 0.40 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.84 2klc h SER 81 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2klc h SER 81 CO -0.13 0.15 -0.32 -0.61 -0.53 0.00 0.00 176.83 175.40 2klc h GLN 82 N 0.00 0.59 -0.12 2.24 5.75 -1.64 -2.09 115.11 119.85 2klc h GLN 82 Ca -0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 2klc h GLN 82 Cb 0.46 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2klc h GLN 82 CO 0.02 0.84 0.00 0.72 -2.65 0.00 0.00 178.83 177.76 2klc n HIS 83 N -4.08 0.15 -0.75 3.99 8.25 -0.83 -4.89 115.22 117.07 2klc n HIS 83 Ca -0.01 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2klc n HIS 83 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.78 0.71 3.61 -1.41 0.00 -0.78 -5.02 105.19 103.08 2klc n GLY 84 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.52 4.70 0.00 -0.61 1.01 -0.45 -4.94 121.20 118.40 2klc s ILE 85 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2klc s ILE 85 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2klc s ILE 85 CO 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 174.94 174.58 2klc n HIS 86 N 6.43 0.00 -1.35 3.97 1.44 -1.26 -2.54 115.22 121.91 2klc n HIS 86 Ca 0.06 0.00 -0.54 0.00 -2.01 0.00 0.00 57.72 55.23 2klc n HIS 86 Cb 0.48 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.49 2klc n HIS 86 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2klc n ASP 87 N 0.00 1.22 0.00 4.39 9.92 -1.26 -1.49 116.55 129.33 2klc n ASP 87 Ca 0.00 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 2klc n ASP 87 Cb 0.00 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 2klc n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2klc n GLY 88 N 7.01 2.63 3.87 0.44 0.00 -0.08 -4.91 105.19 114.15 2klc n GLY 88 Ca 0.51 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 3.22 -0.04 0.99 2.01 -0.55 -4.78 118.68 119.52 2klc s LEU 89 Ca 0.00 1.44 0.05 0.00 0.01 0.00 0.00 54.13 55.63 2klc s LEU 89 Cb 0.00 -4.47 -0.01 0.00 0.01 0.00 0.00 46.19 41.72 2klc s LEU 89 CO 0.00 -0.92 -0.19 -0.89 1.01 0.00 0.00 176.35 175.36 2klc s THR 90 N -3.17 1.55 0.27 5.49 2.01 -1.26 -1.32 115.64 119.23 2klc s THR 90 Ca 0.55 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.82 2klc s THR 90 Cb -0.11 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 2klc s THR 90 CO 0.54 0.44 0.37 -0.69 -0.69 0.00 0.00 174.62 174.60 2klc s VAL 91 N -0.06 4.74 0.09 3.82 1.01 -0.25 -4.97 120.40 124.79 2klc s VAL 91 Ca -0.02 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 2klc s VAL 91 Cb -0.11 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2klc s VAL 91 CO 0.02 -0.27 0.36 -1.00 0.00 0.00 0.00 175.10 174.21 2klc s HIS 92 N -2.07 3.53 -0.02 5.22 3.76 -0.69 -0.92 115.29 124.11 2klc s HIS 92 Ca 0.37 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 55.92 2klc s HIS 92 Cb -0.09 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.56 2klc s HIS 92 CO 0.29 0.50 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.48 2klc s LEU 93 N -2.23 1.65 -0.23 0.89 2.96 0.09 -1.25 118.68 120.56 2klc s LEU 93 Ca 0.36 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2klc s LEU 93 Cb -0.13 -0.26 0.06 0.00 0.50 0.00 0.00 46.19 46.36 2klc s LEU 93 CO 0.21 -0.01 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 2klc s VAL 94 N 0.39 1.42 -0.11 1.68 1.01 -0.58 -4.05 120.40 120.17 2klc s VAL 94 Ca -0.04 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 2klc s VAL 94 Cb -0.07 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2klc s VAL 94 CO -0.01 -0.09 0.16 -0.63 0.00 0.00 0.00 175.10 174.53 2klc s ILE 95 N 1.45 5.48 -1.14 2.22 1.01 -1.26 -1.63 121.20 127.33 2klc s ILE 95 Ca -0.05 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 2klc s ILE 95 Cb -0.18 -3.42 0.26 0.00 0.01 0.00 0.00 42.46 39.12 2klc s ILE 95 CO -0.06 0.61 1.77 1.17 0.00 0.00 0.00 174.94 178.42 2klc n LYS 96 N 1.95 4.53 -3.52 2.79 4.81 -0.25 -4.89 118.16 123.58 2klc n LYS 96 Ca -0.20 -4.22 -0.09 0.00 -0.87 0.00 0.00 58.31 52.94 2klc n LYS 96 Cb 0.55 -2.61 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 2klc n LYS 96 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2klc s THR 97 N -2.24 0.00 0.00 3.15 -1.32 -1.26 -4.91 115.64 109.06 2klc s THR 97 Ca 0.38 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2klc s THR 97 Cb 0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2klc s THR 97 CO 0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.42 2klc n GLN 98 N -0.06 0.76 -0.52 7.08 10.64 -1.26 -4.81 117.38 129.22 2klc n GLN 98 Ca -0.09 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.02 2klc n GLN 98 Cb 0.61 -0.75 0.12 0.00 -0.86 0.00 0.00 30.24 29.36 2klc n GLN 98 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2klc n ASN 99 N -1.73 3.31 -3.68 2.61 4.13 -1.26 -4.72 115.26 113.92 2klc n ASN 99 Ca 0.00 -2.63 -0.29 0.00 1.68 0.00 0.00 54.58 53.33 2klc n ASN 99 Cb 0.25 -0.63 -0.13 0.00 -1.54 0.00 0.00 39.78 37.73 2klc n ASN 99 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2klc s ARG 100 N -1.65 1.23 0.00 3.52 6.06 -1.26 -5.22 118.95 121.64 2klc s ARG 100 Ca 0.26 -1.98 0.28 0.00 -2.50 0.00 0.00 55.73 51.79 2klc s ARG 100 Cb 0.21 -2.24 1.00 0.00 0.06 0.00 0.00 34.95 33.98 2klc s ARG 100 CO 0.06 -1.18 1.71 -0.35 -2.50 0.00 0.00 175.30 173.05