#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n LEU 3 N 0.00 -2.07 0.00 2.45 4.32 -1.26 -4.91 117.00 115.53 3knm n LEU 3 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 3knm n LEU 3 Cb 0.00 -2.82 0.00 0.00 -1.62 0.00 0.00 43.42 38.98 3knm n LEU 3 CO 0.00 -0.11 0.00 -0.67 -1.22 0.00 0.00 177.39 175.39 3knm n ASP 4 N -1.88 0.00 -3.59 -1.43 -0.08 -1.26 -5.14 116.55 103.16 3knm n ASP 4 Ca -0.21 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.93 3knm n ASP 4 Cb 0.66 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.06 3knm n ASP 4 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3knm s VAL 5 N 0.00 0.03 0.15 5.18 -7.23 -1.26 -5.07 120.40 112.19 3knm s VAL 5 Ca 0.00 -0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 3knm s VAL 5 Cb 0.00 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 3knm s VAL 5 CO 0.00 -0.12 1.56 0.00 -0.31 0.00 0.00 175.10 176.23 3knm h ALA 6 N 3.00 -0.53 -0.41 1.32 0.00 -2.00 -2.69 119.26 117.96 3knm h ALA 6 Ca -0.30 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3knm h ALA 6 Cb 1.19 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.96 3knm h ALA 6 CO 0.41 -0.92 0.14 1.25 0.00 0.00 0.00 179.25 180.13 3knm h LEU 7 N -0.33 0.58 -0.62 0.00 6.46 -1.97 -0.43 115.31 119.01 3knm h LEU 7 Ca 0.13 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.76 3knm h LEU 7 Cb 0.58 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 3knm h LEU 7 CO -0.61 0.61 0.31 0.50 -0.62 0.00 0.00 178.44 178.63 3knm h LYS 8 N 0.51 0.55 0.23 1.25 3.64 -1.92 0.59 116.57 121.43 3knm h LYS 8 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3knm h LYS 8 Cb 0.23 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3knm h LYS 8 CO -0.01 0.37 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.29 3knm h ARG 9 N 0.57 -0.35 -0.28 1.90 2.43 -1.29 -2.13 114.38 115.22 3knm h ARG 9 Ca 0.29 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 3knm h ARG 9 Cb 0.23 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3knm h ARG 9 CO -0.21 -0.23 0.82 -0.22 -1.51 0.00 0.00 179.97 178.62 3knm h LYS 10 N -0.37 0.00 0.23 0.20 3.64 -0.71 -1.29 116.57 118.28 3knm h LYS 10 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3knm h LYS 10 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3knm h LYS 10 CO 0.02 0.00 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.17 3knm h TYR 11 N 0.00 -0.28 -0.23 1.91 3.20 -0.19 -2.82 116.97 118.55 3knm h TYR 11 Ca 0.13 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 3knm h TYR 11 Cb 1.78 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 3knm h TYR 11 CO 0.00 0.09 -0.07 1.88 -1.64 0.00 0.00 178.16 178.42 3knm h TYR 12 N -0.89 0.52 -2.37 -3.82 0.99 -1.17 0.76 116.97 110.99 3knm h TYR 12 Ca -0.03 -0.12 -0.81 0.00 2.00 0.00 0.00 58.73 59.78 3knm h TYR 12 Cb 0.51 -0.13 -0.26 0.00 1.00 0.00 0.00 36.73 37.85 3knm h TYR 12 CO 0.06 0.70 1.04 -0.85 -0.00 0.00 0.00 178.16 179.12 3knm n GLU 13 N -4.56 5.12 0.00 4.88 0.28 -1.07 -4.03 120.64 121.26 3knm n GLU 13 Ca -0.04 -4.57 0.00 0.00 -0.16 0.00 0.00 57.16 52.39 3knm n GLU 13 Cb 0.30 -2.50 0.00 0.00 1.43 0.00 0.00 31.44 30.68 3knm n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3knm n GLU 14 N 0.46 0.00 -0.05 3.44 2.13 -1.24 -4.81 120.64 120.57 3knm n GLU 14 Ca 0.42 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.23 3knm n GLU 14 Cb 0.28 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.98 3knm n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3knm h VAL 15 N 0.00 0.08 -0.20 6.31 2.07 -0.99 -3.23 116.25 120.29 3knm h VAL 15 Ca 0.00 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3knm h VAL 15 Cb 0.00 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 3knm h VAL 15 CO 0.00 0.03 -0.29 0.03 0.02 0.00 0.00 177.57 177.36 3knm h ARG 16 N -1.00 -0.20 0.00 1.57 2.47 0.32 -0.55 114.38 116.99 3knm h ARG 16 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3knm h ARG 16 Cb 0.08 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3knm h ARG 16 CO -0.00 -0.13 0.00 -0.35 0.56 0.00 0.00 179.97 180.04 3knm n PRO 17 N -4.07 0.00 -0.32 0.04 -0.04 -1.26 -1.45 135.00 127.90 3knm n PRO 17 Ca -0.02 0.77 0.22 0.00 -0.04 0.00 0.00 63.50 64.44 3knm n PRO 17 Cb 0.18 -1.44 0.43 0.00 -0.04 0.00 0.00 33.50 32.63 3knm n PRO 17 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3knm h GLU 18 N 0.00 0.13 -0.35 0.54 4.57 -1.56 0.87 114.58 118.77 3knm h GLU 18 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 3knm h GLU 18 Cb 0.00 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.48 3knm h GLU 18 CO 0.00 0.08 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.68 3knm h LEU 19 N 0.13 -0.56 -0.09 1.64 3.38 0.07 -2.32 115.31 117.57 3knm h LEU 19 Ca 0.70 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.85 3knm h LEU 19 Cb 1.64 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 42.64 3knm h LEU 19 CO -0.73 -0.20 -0.26 0.40 0.09 0.00 0.00 178.44 177.74 3knm h ILE 20 N -0.11 0.40 0.00 1.22 2.04 0.15 0.20 117.51 121.42 3knm h ILE 20 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 3knm h ILE 20 Cb 0.38 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3knm h ILE 20 CO -0.42 0.00 0.22 -1.14 0.00 0.00 0.00 178.15 176.81 3knm n ARG 21 N -5.37 0.10 0.02 2.37 0.00 -0.91 0.94 116.66 113.81 3knm n ARG 21 Ca -0.03 0.58 0.11 0.00 -0.00 0.00 0.00 57.85 58.51 3knm n ARG 21 Cb 0.29 -2.05 -0.07 0.00 0.00 0.00 0.00 32.46 30.63 3knm n ARG 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knm n ARG 22 N -2.09 0.40 0.00 -0.14 1.74 0.68 -4.50 116.66 112.74 3knm n ARG 22 Ca -0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3knm n ARG 22 Cb 0.24 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3knm n ARG 22 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3knm n PHE 23 N -2.05 0.00 -2.22 -1.55 3.01 -0.60 -5.01 117.46 109.04 3knm n PHE 23 Ca -0.00 -0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 3knm n PHE 23 Cb 0.48 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 3knm n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3knm n GLY 24 N -0.00 -0.10 2.40 1.37 0.00 0.27 -4.88 105.19 104.23 3knm n GLY 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3knm n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knm n TYR 25 N -3.24 -3.20 0.00 1.61 4.01 -1.25 -5.01 117.16 110.08 3knm n TYR 25 Ca -0.17 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3knm n TYR 25 Cb 0.60 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 3knm n TYR 25 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3knm n GLN 26 N 2.00 0.00 -0.09 -0.72 1.13 -1.26 -4.90 117.38 113.53 3knm n GLN 26 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3knm n GLN 26 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 3knm n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3knm n ASN 27 N 0.00 0.00 0.00 1.08 3.02 -1.26 -4.75 115.26 113.35 3knm n ASN 27 Ca 0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3knm n ASN 27 Cb 0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3knm n ASN 27 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3knm n VAL 28 N 2.77 0.00 -0.08 2.41 0.31 -1.26 -3.68 118.33 118.81 3knm n VAL 28 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3knm n VAL 28 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 3knm n VAL 28 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3knm n TRP 29 N 0.00 0.17 -0.26 3.52 7.02 -1.26 0.07 117.44 126.70 3knm n TRP 29 Ca 0.00 0.27 0.24 0.00 -1.02 0.00 0.00 57.50 57.00 3knm n TRP 29 Cb 0.00 -0.68 0.44 0.00 -2.42 0.00 0.00 31.31 28.65 3knm n TRP 29 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3knm n GLU 30 N -3.97 -0.04 -1.87 -0.99 2.13 -1.24 -4.33 120.64 110.33 3knm n GLU 30 Ca 0.06 0.97 -0.42 0.00 0.66 0.00 0.00 57.16 58.44 3knm n GLU 30 Cb 0.20 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.10 3knm n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3knm s VAL 31 N -5.02 2.34 0.79 6.31 0.11 0.11 -4.95 120.40 120.09 3knm s VAL 31 Ca -0.06 0.27 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 3knm s VAL 31 Cb 0.24 -3.18 -0.12 0.00 -1.53 0.00 0.00 36.38 31.80 3knm s VAL 31 CO 0.57 0.04 -0.27 -2.65 -3.33 0.00 0.00 175.10 169.46 3knm n PRO 32 N 2.75 0.03 -3.88 1.54 -0.02 -1.26 -5.00 135.00 129.16 3knm n PRO 32 Ca 0.10 0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3knm n PRO 32 Cb 0.38 -1.21 -0.01 0.00 -0.02 0.00 0.00 33.50 32.64 3knm n PRO 32 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3knm s ARG 33 N -1.94 1.93 -0.23 -0.52 3.00 -1.26 -4.98 118.95 114.94 3knm s ARG 33 Ca 0.51 -1.26 -0.13 0.00 0.00 0.00 0.00 55.73 54.85 3knm s ARG 33 Cb -0.31 0.58 -0.04 0.00 0.00 0.00 0.00 34.95 35.17 3knm s ARG 33 CO 0.72 -0.87 0.28 -0.51 0.00 0.00 0.00 175.30 174.91 3knm s LEU 34 N -3.02 4.11 -0.02 2.53 1.43 -1.26 -1.97 118.68 120.48 3knm s LEU 34 Ca 0.16 0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3knm s LEU 34 Cb -0.04 -2.29 -0.27 0.00 0.03 0.00 0.00 46.19 43.61 3knm s LEU 34 CO 0.10 -0.03 0.78 -0.08 0.23 0.00 0.00 176.35 177.35 3knm h GLU 35 N 7.62 0.24 0.00 1.70 4.81 -1.52 -3.48 114.58 123.95 3knm h GLU 35 Ca -0.36 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 3knm h GLU 35 Cb 1.17 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3knm h GLU 35 CO 0.67 1.09 0.00 0.36 -0.73 0.00 0.00 179.01 180.40 3knm n LYS 36 N -3.43 0.00 -3.93 1.92 2.85 -1.16 -4.82 118.16 109.58 3knm n LYS 36 Ca -0.19 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.87 3knm n LYS 36 Cb 1.05 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 35.26 3knm n LYS 36 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3knm s VAL 37 N -2.00 0.36 -0.21 0.58 1.01 0.27 -1.13 120.40 119.28 3knm s VAL 37 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3knm s VAL 37 Cb 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 36.38 35.97 3knm s VAL 37 CO 0.00 0.22 -0.09 -0.69 0.00 0.00 0.00 175.10 174.54 3knm s VAL 38 N 1.41 1.62 -0.01 2.92 1.01 -0.89 0.12 120.40 126.58 3knm s VAL 38 Ca -0.04 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 3knm s VAL 38 Cb -0.13 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 3knm s VAL 38 CO -0.03 0.07 0.42 -0.51 0.00 0.00 0.00 175.10 175.05 3knm s ILE 39 N 1.39 5.04 -0.27 2.22 1.10 -0.96 -2.18 121.20 127.53 3knm s ILE 39 Ca -0.03 0.86 -0.03 0.00 -0.51 0.00 0.00 60.65 60.93 3knm s ILE 39 Cb -0.17 -3.73 0.10 0.00 0.15 0.00 0.00 42.46 38.81 3knm s ILE 39 CO -0.07 0.55 0.17 0.21 -2.11 0.00 0.00 174.94 173.69 3knm s ASN 40 N -0.89 2.77 -0.09 4.50 3.84 -0.99 -1.95 114.94 122.13 3knm s ASN 40 Ca 0.24 -0.99 -0.30 0.00 0.21 0.00 0.00 52.86 52.02 3knm s ASN 40 Cb -0.17 -0.07 -0.01 0.00 -0.55 0.00 0.00 41.25 40.45 3knm s ASN 40 CO 0.13 -0.41 1.00 -1.10 -2.79 0.00 0.00 177.10 173.94 3knm s GLN 41 N 2.19 4.44 0.06 0.43 -0.21 -0.65 -2.08 119.66 123.84 3knm s GLN 41 Ca 0.08 1.39 0.02 0.00 0.02 0.00 0.00 55.36 56.88 3knm s GLN 41 Cb -0.15 -3.53 -0.25 0.00 1.00 0.00 0.00 33.01 30.08 3knm s GLN 41 CO -0.31 -0.28 1.06 0.78 -2.12 0.00 0.00 175.29 174.42 3knm h GLY 42 N 7.85 0.15 0.00 3.09 0.00 -1.85 -2.80 103.07 109.52 3knm h GLY 42 Ca -0.32 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3knm h GLY 42 CO 0.84 0.34 0.00 1.04 0.00 0.00 0.00 176.54 178.76 3knm n LEU 43 N -3.38 0.00 0.00 3.11 7.99 -1.26 -3.81 117.00 119.65 3knm n LEU 43 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 3knm n LEU 43 Cb 1.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.31 3knm n LEU 43 CO 0.49 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.98 3knm n GLY 44 N 0.00 2.38 0.00 -0.72 0.00 -1.26 -4.99 105.19 100.60 3knm n GLY 44 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3knm n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knm n GLU 45 N 0.00 1.28 -0.45 1.61 -0.58 -1.26 -4.40 120.64 116.84 3knm n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knm n GLU 45 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3knm n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knm n ALA 46 N -3.00 0.00 -1.00 0.62 0.00 -1.26 -4.44 120.51 111.43 3knm n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 46 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3knm n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 47 N -2.00 0.00 -4.53 0.00 4.76 -1.26 -4.80 118.16 110.33 3knm n LYS 47 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 3knm n LYS 47 Cb 0.00 -0.22 -0.14 0.00 -1.84 0.00 0.00 35.03 32.83 3knm n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3knm s GLU 48 N 0.00 1.31 -0.03 1.97 8.01 -1.26 -4.88 118.70 123.82 3knm s GLU 48 Ca 0.00 -1.02 -0.02 0.00 0.01 0.00 0.00 54.97 53.94 3knm s GLU 48 Cb 0.00 -1.48 0.01 0.00 -4.31 0.00 0.00 34.13 28.35 3knm s GLU 48 CO 0.00 0.37 0.04 -3.47 0.01 0.00 0.00 175.26 172.20 3knm n ASP 49 N 1.58 -1.91 -3.63 -0.19 2.03 -1.26 -4.78 116.55 108.40 3knm n ASP 49 Ca -0.18 0.24 -0.26 0.00 0.52 0.00 0.00 54.79 55.10 3knm n ASP 49 Cb 0.53 -1.71 0.03 0.00 -0.72 0.00 0.00 41.12 39.25 3knm n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3knm n ALA 50 N 0.29 -2.60 -0.70 -1.67 0.00 -1.26 -4.73 120.51 109.84 3knm n ALA 50 Ca -0.06 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 3knm n ALA 50 Cb 0.10 -3.06 -0.07 0.00 0.00 0.00 0.00 19.45 16.41 3knm n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knm n ARG 51 N -3.59 1.67 0.00 0.00 5.12 -1.26 -4.24 116.66 114.37 3knm n ARG 51 Ca -0.12 -1.00 0.00 0.00 -1.93 0.00 0.00 57.85 54.80 3knm n ARG 51 Cb 0.59 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 3knm n ARG 51 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3knm n ILE 52 N 3.28 0.00 -2.80 0.55 2.08 -1.26 -4.85 119.36 116.36 3knm n ILE 52 Ca 0.36 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.56 3knm n ILE 52 Cb 0.39 -0.27 0.05 0.00 -0.75 0.00 0.00 39.64 39.07 3knm n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3knm n LEU 53 N -0.03 -4.21 0.00 1.39 7.99 -1.26 -4.89 117.00 116.00 3knm n LEU 53 Ca 0.00 -0.47 0.11 0.00 -0.01 0.00 0.00 56.01 55.63 3knm n LEU 53 Cb 0.00 -2.37 -0.03 0.00 -0.11 0.00 0.00 43.42 40.91 3knm n LEU 53 CO 0.00 0.13 0.06 -0.62 -1.51 0.00 0.00 177.39 175.45 3knm n GLU 54 N -2.84 0.01 0.20 3.23 -0.58 -1.26 -2.47 120.64 116.93 3knm n GLU 54 Ca -0.09 -0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.79 3knm n GLU 54 Cb 0.59 -1.50 0.63 0.00 -0.57 0.00 0.00 31.44 30.59 3knm n GLU 54 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3knm h LYS 55 N 0.00 0.00 0.00 3.49 3.11 -1.97 0.39 116.57 121.59 3knm h LYS 55 Ca 0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 3knm h LYS 55 Cb 0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 3knm h LYS 55 CO 0.00 0.00 -1.43 0.00 -2.81 0.00 0.00 179.45 175.21 3knm n ALA 56 N -1.89 2.16 -0.27 5.00 0.00 -1.23 -3.93 120.51 120.36 3knm n ALA 56 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3knm n ALA 56 Cb 0.20 0.36 0.13 0.00 0.00 0.00 0.00 19.45 20.14 3knm n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm h ALA 57 N -0.14 1.04 0.00 0.00 0.00 -1.38 -1.10 119.26 117.68 3knm h ALA 57 Ca -0.18 0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.42 3knm h ALA 57 Cb 1.22 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3knm h ALA 57 CO -0.07 0.12 -2.09 0.00 0.00 0.00 0.00 179.25 177.21 3knm n GLN 58 N -4.73 0.66 0.28 0.00 10.64 0.14 -3.47 117.38 120.90 3knm n GLN 58 Ca 0.11 0.11 0.14 0.00 -1.83 0.00 0.00 57.00 55.53 3knm n GLN 58 Cb 0.20 -1.63 0.82 0.00 -0.86 0.00 0.00 30.24 28.77 3knm n GLN 58 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 3knm h GLU 59 N 0.00 0.00 -0.09 2.61 4.11 -1.52 1.05 114.58 120.75 3knm h GLU 59 Ca -0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 3knm h GLU 59 Cb 2.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 3knm h GLU 59 CO 0.05 0.06 -0.74 1.25 0.07 0.00 0.00 179.01 179.70 3knm h LEU 60 N 0.00 0.55 -1.24 3.06 7.12 -1.31 -2.69 115.31 120.80 3knm h LEU 60 Ca -0.00 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.65 3knm h LEU 60 Cb 0.17 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 3knm h LEU 60 CO 0.01 1.11 0.00 0.00 -0.13 0.00 0.00 178.44 179.43 3knm h ALA 61 N 0.88 1.00 0.00 1.25 0.00 0.11 -0.79 119.26 121.70 3knm h ALA 61 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3knm h ALA 61 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3knm h ALA 61 CO 0.13 0.00 -0.37 -0.07 0.00 0.00 0.00 179.25 178.94 3knm h LEU 62 N 0.00 0.00 -0.60 0.00 4.07 -1.07 -0.20 115.31 117.51 3knm h LEU 62 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3knm h LEU 62 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3knm h LEU 62 CO 0.00 0.75 0.05 2.30 -1.08 0.00 0.00 178.44 180.46 3knm n ILE 63 N -4.66 1.44 0.02 1.22 -5.35 -0.99 -3.35 119.36 107.70 3knm n ILE 63 Ca -0.07 0.61 -0.00 0.00 -0.27 0.00 0.00 62.75 63.02 3knm n ILE 63 Cb 0.23 -1.61 -0.00 0.00 -1.74 0.00 0.00 39.64 36.52 3knm n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3knm n THR 64 N -1.80 0.58 0.00 7.28 5.66 -0.34 -5.00 114.28 120.65 3knm n THR 64 Ca -0.01 0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 3knm n THR 64 Cb 0.06 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 3knm n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3knm n GLY 65 N 3.23 1.22 3.05 1.09 0.00 -0.09 -4.89 105.19 108.81 3knm n GLY 65 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3knm n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knm s GLN 66 N -0.55 1.11 0.11 1.61 -0.21 -1.22 -5.00 119.66 115.50 3knm s GLN 66 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 3knm s GLN 66 Cb 0.00 -1.03 -0.10 0.00 1.00 0.00 0.00 33.01 32.88 3knm s GLN 66 CO 0.00 0.19 1.80 0.15 -2.12 0.00 0.00 175.29 175.31 3knm s LYS 67 N -0.02 4.15 0.38 2.91 1.02 -1.26 -4.27 119.74 122.65 3knm s LYS 67 Ca -0.00 2.55 -0.06 0.00 0.02 0.00 0.00 55.97 58.47 3knm s LYS 67 Cb -0.08 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.57 3knm s LYS 67 CO 0.00 -0.83 0.68 -2.14 -0.92 0.00 0.00 175.35 172.15 3knm s PRO 68 N 2.78 3.64 0.26 -1.68 0.02 -1.26 -4.93 135.00 133.83 3knm s PRO 68 Ca 0.80 0.17 -0.06 0.00 0.02 0.00 0.00 61.00 61.93 3knm s PRO 68 Cb -0.45 -2.50 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 3knm s PRO 68 CO 0.36 0.02 0.54 0.00 -0.33 0.00 0.00 177.00 177.58 3knm s ALA 69 N -2.37 3.62 -0.65 -1.55 0.00 0.34 -4.88 121.76 116.27 3knm s ALA 69 Ca 0.47 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 3knm s ALA 69 Cb -0.10 -2.32 0.17 0.00 0.00 0.00 0.00 23.12 20.86 3knm s ALA 69 CO 0.35 0.35 0.55 0.14 0.00 0.00 0.00 175.76 177.15 3knm s VAL 70 N -1.97 4.78 0.84 0.00 -7.23 -1.26 0.12 120.40 115.67 3knm s VAL 70 Ca 0.45 -2.28 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3knm s VAL 70 Cb -0.11 -4.04 0.10 0.00 0.56 0.00 0.00 36.38 32.89 3knm s VAL 70 CO 0.27 -0.91 1.19 0.42 -0.31 0.00 0.00 175.10 175.76 3knm s THR 71 N 0.61 2.00 0.09 5.32 -4.23 0.27 -4.84 115.64 114.87 3knm s THR 71 Ca 0.13 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 3knm s THR 71 Cb -0.19 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3knm s THR 71 CO -0.04 -0.00 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.73 3knm s ARG 72 N -4.27 0.99 0.35 3.99 0.52 -1.26 -3.75 118.95 115.53 3knm s ARG 72 Ca 0.72 -1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.57 3knm s ARG 72 Cb -0.27 -1.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.94 3knm s ARG 72 CO 0.53 0.26 1.49 0.00 0.02 0.00 0.00 175.30 177.60 3knm s ALA 73 N -1.20 3.61 -0.23 2.13 0.00 -1.13 -4.92 121.76 120.02 3knm s ALA 73 Ca 0.03 1.53 0.06 0.00 0.00 0.00 0.00 51.96 53.58 3knm s ALA 73 Cb -0.10 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.24 3knm s ALA 73 CO 0.03 -0.99 -0.14 1.63 0.00 0.00 0.00 175.76 176.30 3knm n LYS 74 N 0.95 0.68 0.00 0.00 5.02 -1.26 -2.98 118.16 120.58 3knm n LYS 74 Ca 0.03 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3knm n LYS 74 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3knm n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3knm n LYS 75 N -3.08 1.25 0.00 1.97 5.02 -1.26 -4.71 118.16 117.34 3knm n LYS 75 Ca -0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3knm n LYS 75 Cb 1.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.02 3knm n LYS 75 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3knm n SER 76 N 0.00 0.00 0.00 4.39 3.41 -1.26 -0.75 113.62 119.41 3knm n SER 76 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knm n SER 76 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knm n SER 76 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3knm n ILE 77 N 0.00 0.00 0.00 -1.33 2.08 -1.26 -4.29 119.36 114.56 3knm n ILE 77 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3knm n ILE 77 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3knm n ILE 77 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3knm n SER 78 N 0.00 0.00 0.00 4.38 2.88 -1.26 -4.11 113.62 115.51 3knm n SER 78 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3knm n SER 78 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3knm n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3knm n ASN 79 N 0.00 0.00 -3.60 -3.46 4.13 -1.26 -0.47 115.26 110.59 3knm n ASN 79 Ca 0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.99 3knm n ASN 79 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 3knm n ASN 79 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3knm n PHE 80 N 0.00 3.36 0.00 3.10 3.72 -1.26 -5.09 117.46 121.29 3knm n PHE 80 Ca 0.00 -4.20 0.00 0.00 -0.05 0.00 0.00 57.45 53.20 3knm n PHE 80 Cb 0.00 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 3knm n PHE 80 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3knm n LYS 81 N 1.31 0.00 -0.30 -1.08 5.02 0.38 -4.94 118.16 118.55 3knm n LYS 81 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3knm n LYS 81 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 3knm n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3knm n LEU 82 N 0.00 0.00 -3.88 -0.35 4.77 -1.26 -4.59 117.00 111.69 3knm n LEU 82 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3knm n LEU 82 Cb 0.00 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.64 3knm n LEU 82 CO 0.00 0.00 0.43 0.00 -1.33 0.00 0.00 177.39 176.49 3knm s ARG 83 N -1.10 2.13 0.00 3.23 1.04 -1.26 -4.60 118.95 118.39 3knm s ARG 83 Ca 0.00 -1.50 0.00 0.00 -1.04 0.00 0.00 55.73 53.19 3knm s ARG 83 Cb 0.00 0.58 0.00 0.00 -2.04 0.00 0.00 34.95 33.49 3knm s ARG 83 CO 0.00 -0.97 0.00 1.63 -0.04 0.00 0.00 175.30 175.92 3knm n LYS 84 N -0.54 0.00 0.00 3.89 5.02 0.07 -4.62 118.16 121.99 3knm n LYS 84 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3knm n LYS 84 Cb 0.60 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3knm n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knm n GLY 85 N 0.09 2.97 0.00 0.72 0.00 -1.16 -4.68 105.19 103.13 3knm n GLY 85 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3knm n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knm n MET 86 N 0.00 0.00 0.00 1.61 2.81 -1.26 -2.82 117.12 117.45 3knm n MET 86 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3knm n MET 86 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3knm n MET 86 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3knm n PRO 87 N -0.57 0.00 -1.82 0.03 -0.02 -1.26 -4.39 135.00 126.96 3knm n PRO 87 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 3knm n PRO 87 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.51 3knm n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3knm s ILE 88 N 0.00 3.80 0.00 4.25 1.10 -1.26 -4.87 121.20 124.22 3knm s ILE 88 Ca 0.00 0.74 0.00 0.00 -0.51 0.00 0.00 60.65 60.88 3knm s ILE 88 Cb 0.00 -3.33 0.00 0.00 0.15 0.00 0.00 42.46 39.28 3knm s ILE 88 CO 0.00 -0.61 0.00 0.61 -2.11 0.00 0.00 174.94 172.83 3knm n GLY 89 N -1.27 2.47 2.98 1.50 0.00 -1.25 -3.49 105.19 106.13 3knm n GLY 89 Ca 0.08 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 3knm n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knm s LEU 90 N 0.00 0.40 0.08 0.99 0.20 -1.06 -0.57 118.68 118.72 3knm s LEU 90 Ca 0.00 0.43 -0.06 0.00 0.69 0.00 0.00 54.13 55.19 3knm s LEU 90 Cb 0.00 0.55 -0.01 0.00 -0.43 0.00 0.00 46.19 46.30 3knm s LEU 90 CO 0.00 -0.18 0.13 -0.60 -0.29 0.00 0.00 176.35 175.41 3knm s ARG 91 N 1.46 0.77 -0.06 1.98 3.00 0.31 -1.63 118.95 124.78 3knm s ARG 91 Ca -0.07 -1.03 -0.21 0.00 -1.00 0.00 0.00 55.73 53.42 3knm s ARG 91 Cb -0.11 0.30 0.05 0.00 0.00 0.00 0.00 34.95 35.19 3knm s ARG 91 CO -0.07 -0.22 0.48 0.54 0.00 0.00 0.00 175.30 176.03 3knm s VAL 92 N -3.87 0.03 -0.13 7.11 0.11 -0.82 0.12 120.40 122.95 3knm s VAL 92 Ca 0.05 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3knm s VAL 92 Cb 0.06 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 3knm s VAL 92 CO -0.11 -0.12 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.54 3knm s THR 93 N -0.97 3.17 -0.13 5.04 2.01 -1.26 -2.27 115.64 121.23 3knm s THR 93 Ca -0.10 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3knm s THR 93 Cb -0.03 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3knm s THR 93 CO 0.06 0.52 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.63 3knm s LEU 94 N 0.31 2.82 0.30 4.42 1.43 0.12 -5.00 118.68 123.08 3knm s LEU 94 Ca -0.09 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3knm s LEU 94 Cb -0.16 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3knm s LEU 94 CO 0.05 0.18 0.24 -0.13 0.23 0.00 0.00 176.35 176.92 3knm s ARG 95 N 0.28 1.61 0.00 1.70 0.52 -1.26 -0.56 118.95 121.24 3knm s ARG 95 Ca -0.08 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.20 3knm s ARG 95 Cb -0.15 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.62 3knm s ARG 95 CO 0.05 -0.58 0.00 0.54 0.02 0.00 0.00 175.30 175.33 3knm n ARG 96 N -0.53 0.00 0.05 3.54 5.12 -1.26 -0.81 116.66 122.76 3knm n ARG 96 Ca 0.06 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 3knm n ARG 96 Cb 0.63 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.85 3knm n ARG 96 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3knm h ASP 97 N 0.00 -0.09 0.00 0.55 3.32 -1.99 -1.84 116.42 116.38 3knm h ASP 97 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3knm h ASP 97 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3knm h ASP 97 CO 0.00 0.21 0.41 0.03 -1.72 0.00 0.00 179.24 178.17 3knm h ARG 98 N -0.39 0.00 0.00 3.56 2.47 -1.91 -2.21 114.38 115.91 3knm h ARG 98 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3knm h ARG 98 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3knm h ARG 98 CO 0.02 0.00 -0.09 1.98 0.56 0.00 0.00 179.97 182.44 3knm h MET 99 N 0.00 0.00 -0.27 0.04 1.85 -0.66 -3.38 114.93 112.52 3knm h MET 99 Ca 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 3knm h MET 99 Cb 0.82 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.82 3knm h MET 99 CO 0.00 0.00 -0.16 0.91 -0.40 0.00 0.00 176.91 177.26 3knm n TRP 100 N -2.68 -0.12 -0.33 1.39 7.02 -0.72 0.42 117.44 122.43 3knm n TRP 100 Ca -0.01 0.33 0.22 0.00 -1.02 0.00 0.00 57.50 57.02 3knm n TRP 100 Cb 0.04 -0.45 0.41 0.00 -2.42 0.00 0.00 31.31 28.90 3knm n TRP 100 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3knm n ILE 101 N -3.53 -0.41 0.27 -0.99 -0.00 -1.00 -0.24 119.36 113.47 3knm n ILE 101 Ca 0.01 2.07 -0.16 0.00 -0.00 0.00 0.00 62.75 64.67 3knm n ILE 101 Cb 0.07 -3.17 -0.08 0.00 -0.00 0.00 0.00 39.64 36.46 3knm n ILE 101 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 3knm h PHE 102 N 0.00 -0.61 -0.96 4.28 3.04 -0.21 -1.83 116.94 120.65 3knm h PHE 102 Ca 0.69 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.77 3knm h PHE 102 Cb 1.64 0.20 -0.09 0.00 2.56 0.00 0.00 35.95 40.26 3knm h PHE 102 CO -0.28 -0.34 0.58 -0.07 -2.02 0.00 0.00 178.31 176.18 3knm h LEU 103 N -0.75 0.79 0.17 0.59 3.38 -0.14 0.10 115.31 119.47 3knm h LEU 103 Ca -0.07 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3knm h LEU 103 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3knm h LEU 103 CO 0.11 0.37 -0.25 -0.08 0.09 0.00 0.00 178.44 178.68 3knm h GLU 104 N 0.84 -0.43 -0.09 1.13 4.81 -0.72 -0.15 114.58 119.98 3knm h GLU 104 Ca 0.51 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.79 3knm h GLU 104 Cb 0.63 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3knm h GLU 104 CO -0.32 -0.28 0.09 0.87 -0.73 0.00 0.00 179.01 178.64 3knm h LYS 105 N -0.44 0.00 0.04 1.92 1.57 -0.87 -2.29 116.57 116.49 3knm h LYS 105 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3knm h LYS 105 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3knm h LYS 105 CO -0.07 0.00 -0.02 1.25 -0.57 0.00 0.00 179.45 180.04 3knm h LEU 106 N 0.00 -0.04 -0.41 2.94 5.85 0.02 0.12 115.31 123.79 3knm h LEU 106 Ca 0.04 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3knm h LEU 106 Cb 0.22 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3knm h LEU 106 CO -0.00 0.43 0.00 -0.07 -0.34 0.00 0.00 178.44 178.46 3knm h LEU 107 N -0.52 0.00 0.00 2.25 3.38 -0.70 0.72 115.31 120.44 3knm h LEU 107 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3knm h LEU 107 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3knm h LEU 107 CO 0.01 0.00 -2.37 0.59 0.09 0.00 0.00 178.44 176.76 3knm n ASN 108 N -2.79 2.03 -0.05 -0.43 4.13 -0.89 -4.64 115.26 112.61 3knm n ASN 108 Ca 0.03 0.02 -0.11 0.00 1.68 0.00 0.00 54.58 56.21 3knm n ASN 108 Cb 0.42 -0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 38.12 3knm n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3knm n VAL 109 N -3.52 1.00 0.00 2.41 0.31 -0.64 -4.70 118.33 113.19 3knm n VAL 109 Ca -0.45 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3knm n VAL 109 Cb 0.91 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3knm n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knm n ALA 110 N -3.76 0.00 -0.27 3.52 0.00 0.34 -2.90 120.51 117.45 3knm n ALA 110 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 3knm n ALA 110 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3knm n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knm n LEU 111 N -0.15 -0.51 -0.25 0.00 4.77 0.25 -0.62 117.00 120.49 3knm n LEU 111 Ca 0.00 1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 57.10 3knm n LEU 111 Cb 0.00 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3knm n LEU 111 CO 0.00 -1.04 0.44 -2.65 -1.33 0.00 0.00 177.39 172.81 3knm n PRO 112 N -4.96 -0.26 -2.43 3.23 -0.02 -1.24 -2.83 135.00 126.48 3knm n PRO 112 Ca 0.05 1.21 -0.42 0.00 -2.02 0.00 0.00 63.50 62.32 3knm n PRO 112 Cb 0.25 -1.79 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3knm n PRO 112 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3knm n ARG 113 N -4.38 3.10 -5.17 -0.52 5.12 0.21 -4.82 116.66 110.21 3knm n ARG 113 Ca 0.01 -3.15 -0.30 0.00 -1.93 0.00 0.00 57.85 52.48 3knm n ARG 113 Cb 0.16 -3.47 -0.16 0.00 -1.16 0.00 0.00 32.46 27.82 3knm n ARG 113 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3knm s ILE 114 N 4.24 1.90 0.03 0.55 1.01 -1.13 -4.71 121.20 123.10 3knm s ILE 114 Ca 0.53 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3knm s ILE 114 Cb 0.05 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3knm s ILE 114 CO 0.06 0.53 0.22 0.54 0.00 0.00 0.00 174.94 176.29 3knm n ARG 115 N 2.91 0.00 0.00 2.79 1.74 -1.26 -3.71 116.66 119.13 3knm n ARG 115 Ca -0.17 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3knm n ARG 115 Cb 0.52 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 3knm n ARG 115 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3knm n ASP 116 N -0.51 0.00 -0.06 0.55 2.03 -1.26 -5.18 116.55 112.11 3knm n ASP 116 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3knm n ASP 116 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 3knm n ASP 116 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3knm n PHE 117 N 0.00 0.00 -2.02 -0.67 7.35 -1.24 -4.94 117.46 115.94 3knm n PHE 117 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3knm n PHE 117 Cb 0.00 -0.79 -0.00 0.00 0.35 0.00 0.00 39.48 39.04 3knm n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3knm n ARG 118 N 1.36 0.00 0.00 -4.13 1.74 -1.26 -5.08 116.66 109.30 3knm n ARG 118 Ca 0.00 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 3knm n ARG 118 Cb 0.00 -0.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 3knm n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 119 N 0.02 3.43 3.66 -0.13 0.00 -1.26 -4.40 105.19 106.51 3knm n GLY 119 Ca -0.01 -1.18 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 3knm n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knm n LEU 120 N 0.00 3.00 -4.68 0.99 4.77 0.22 -4.16 117.00 117.14 3knm n LEU 120 Ca 0.00 1.14 -0.46 0.00 -0.03 0.00 0.00 56.01 56.66 3knm n LEU 120 Cb 0.00 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 39.64 3knm n LEU 120 CO 0.00 -0.52 1.41 -3.20 -1.33 0.00 0.00 177.39 173.76 3knm n ASN 121 N 2.28 3.53 0.00 -1.43 2.85 -1.26 -2.88 115.26 118.35 3knm n ASN 121 Ca 0.12 1.00 0.09 0.00 -0.11 0.00 0.00 54.58 55.68 3knm n ASN 121 Cb 0.31 -1.43 0.39 0.00 1.24 0.00 0.00 39.78 40.29 3knm n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3knm n PRO 122 N 5.61 0.00 -0.68 1.20 -0.04 -1.26 -3.05 135.00 136.78 3knm n PRO 122 Ca 0.20 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 3knm n PRO 122 Cb 0.32 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 3knm n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3knm n ASN 123 N -1.50 3.97 -1.93 3.54 4.13 -1.26 -4.58 115.26 117.62 3knm n ASN 123 Ca 0.04 -3.21 0.03 0.00 1.68 0.00 0.00 54.58 53.12 3knm n ASN 123 Cb 0.22 -0.62 0.37 0.00 -1.54 0.00 0.00 39.78 38.21 3knm n ASN 123 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3knm n SER 124 N -0.48 5.44 0.00 6.41 2.88 -1.17 -4.54 113.62 122.16 3knm n SER 124 Ca 0.29 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 3knm n SER 124 Cb 1.06 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3knm n SER 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3knm n PHE 125 N 0.38 0.00 -1.81 0.66 3.01 -1.26 -1.54 117.46 116.90 3knm n PHE 125 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.78 3knm n PHE 125 Cb 1.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.73 3knm n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3knm n ASP 126 N -0.29 -7.20 0.00 4.37 8.00 -1.26 -4.56 116.55 115.61 3knm n ASP 126 Ca 0.00 1.28 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3knm n ASP 126 Cb 0.00 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 3knm n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knm n GLY 127 N 0.44 0.55 3.52 0.44 0.00 -1.26 -4.76 105.19 104.12 3knm n GLY 127 Ca 0.00 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 3knm n GLY 127 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knm n ARG 128 N 0.00 0.10 -0.26 1.61 0.00 -1.26 -4.45 116.66 112.40 3knm n ARG 128 Ca 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 57.85 57.92 3knm n ARG 128 Cb 0.00 -2.02 0.08 0.00 -0.00 0.00 0.00 32.46 30.51 3knm n ARG 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knm n GLY 129 N 1.27 2.21 3.41 2.89 0.00 -1.20 -4.47 105.19 109.31 3knm n GLY 129 Ca 0.10 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3knm n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3knm s ASN 130 N 0.08 3.36 0.08 1.61 0.01 -1.26 -3.52 114.94 115.29 3knm s ASN 130 Ca 0.14 -0.87 0.05 0.00 -0.71 0.00 0.00 52.86 51.48 3knm s ASN 130 Cb 0.11 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 3knm s ASN 130 CO 0.03 0.11 -0.15 -0.47 -1.51 0.00 0.00 177.10 175.11 3knm s TYR 131 N -1.71 1.28 0.11 2.20 5.04 -0.78 -4.31 117.35 119.20 3knm s TYR 131 Ca 0.20 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.42 3knm s TYR 131 Cb -0.08 -0.72 -0.04 0.00 0.35 0.00 0.00 41.96 41.48 3knm s TYR 131 CO 0.09 0.08 -0.13 -0.80 -1.34 0.00 0.00 175.55 173.45 3knm s ASN 132 N -1.82 1.83 0.03 4.32 -0.87 -0.59 -0.60 114.94 117.24 3knm s ASN 132 Ca -0.00 -0.81 -0.06 0.00 -1.57 0.00 0.00 52.86 50.42 3knm s ASN 132 Cb -0.10 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.25 41.08 3knm s ASN 132 CO 0.02 -0.18 0.10 -1.48 -2.57 0.00 0.00 177.10 173.00 3knm s LEU 133 N -2.46 1.75 0.01 0.60 0.05 0.07 -4.83 118.68 113.87 3knm s LEU 133 Ca 0.08 -0.46 0.01 0.00 0.05 0.00 0.00 54.13 53.81 3knm s LEU 133 Cb -0.04 0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 44.67 3knm s LEU 133 CO 0.02 -0.47 0.05 -0.83 -0.55 0.00 0.00 176.35 174.57 3knm s GLY 134 N -1.94 1.97 -0.17 -3.48 0.00 -1.26 -1.69 107.32 100.75 3knm s GLY 134 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3knm s GLY 134 CO -0.03 -0.80 -0.12 1.08 0.00 0.00 0.00 173.10 173.23 3knm s LEU 135 N -1.76 1.89 0.00 0.66 1.02 -0.82 -5.00 118.68 114.67 3knm s LEU 135 Ca 0.22 -0.64 0.00 0.00 0.02 0.00 0.00 54.13 53.74 3knm s LEU 135 Cb -0.12 -1.18 0.00 0.00 0.02 0.00 0.00 46.19 44.91 3knm s LEU 135 CO 0.14 -0.10 0.18 0.54 0.02 0.00 0.00 176.35 177.13 3knm n ARG 136 N 4.75 0.00 -2.66 1.70 1.74 -1.26 -2.23 116.66 118.69 3knm n ARG 136 Ca -0.16 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.64 3knm n ARG 136 Cb 0.49 -0.62 -0.01 0.00 -1.02 0.00 0.00 32.46 31.30 3knm n ARG 136 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3knm s GLU 137 N -0.37 3.61 0.00 5.56 2.02 -1.26 -2.96 118.70 125.30 3knm s GLU 137 Ca 0.00 0.30 0.13 0.00 0.02 0.00 0.00 54.97 55.42 3knm s GLU 137 Cb 0.00 -2.37 0.14 0.00 0.10 0.00 0.00 34.13 32.00 3knm s GLU 137 CO 0.00 -0.17 0.98 0.00 0.02 0.00 0.00 175.26 176.08 3knm n GLN 138 N -2.01 1.13 -0.06 1.61 0.00 -1.04 -4.42 117.38 112.58 3knm n GLN 138 Ca 0.01 -1.42 0.05 0.00 0.00 0.00 0.00 57.00 55.65 3knm n GLN 138 Cb 0.55 -1.27 0.22 0.00 0.00 0.00 0.00 30.24 29.74 3knm n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3knm n LEU 139 N 0.75 0.71 -0.03 2.61 -0.00 -1.26 -3.75 117.00 116.03 3knm n LEU 139 Ca 0.09 -0.34 -0.10 0.00 -0.00 0.00 0.00 56.01 55.66 3knm n LEU 139 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 43.42 43.67 3knm n LEU 139 CO 0.09 0.17 0.91 0.40 -0.00 0.00 0.00 177.39 178.96 3knm h ILE 140 N 0.84 0.98 -3.65 1.47 2.04 -1.84 -3.44 117.51 113.90 3knm h ILE 140 Ca 0.00 -0.06 -0.54 0.00 1.00 0.00 0.00 64.86 65.26 3knm h ILE 140 Cb 0.19 0.79 0.19 0.00 -0.74 0.00 0.00 36.82 37.25 3knm h ILE 140 CO 0.00 0.03 -0.15 0.49 0.00 0.00 0.00 178.15 178.52 3knm n PHE 141 N -5.03 -0.15 0.00 1.37 0.99 -1.25 -4.59 117.46 108.81 3knm n PHE 141 Ca -0.03 0.34 -0.03 0.00 -0.00 0.00 0.00 57.45 57.73 3knm n PHE 141 Cb 0.06 -1.96 -0.02 0.00 -1.00 0.00 0.00 39.48 36.56 3knm n PHE 141 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3knm h PRO 142 N -0.88 -0.12 0.00 -1.08 0.13 -1.93 -3.32 132.00 124.80 3knm h PRO 142 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3knm h PRO 142 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3knm h PRO 142 CO 0.42 -0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.31 3knm n GLU 143 N -4.86 0.13 -3.63 0.86 0.00 -1.26 -3.56 120.64 108.31 3knm n GLU 143 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.86 3knm n GLU 143 Cb 0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 31.44 30.42 3knm n GLU 143 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 3knm n ILE 144 N -0.50 2.10 -0.12 3.84 0.13 -1.25 -4.72 119.36 118.83 3knm n ILE 144 Ca 0.00 -5.08 -0.06 0.00 -1.10 0.00 0.00 62.75 56.51 3knm n ILE 144 Cb 0.00 -2.14 0.05 0.00 -0.84 0.00 0.00 39.64 36.71 3knm n ILE 144 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3knm n THR 145 N 1.35 0.00 -0.05 9.51 -2.24 -1.23 -4.77 114.28 116.84 3knm n THR 145 Ca 0.25 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3knm n THR 145 Cb 0.38 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 3knm n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knm n TYR 146 N -3.26 0.00 0.00 4.78 9.36 -1.26 -4.72 117.16 122.05 3knm n TYR 146 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3knm n TYR 146 Cb 0.11 -0.41 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 3knm n TYR 146 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3knm n ASP 147 N -3.87 0.00 -4.10 2.98 5.68 -1.26 -2.60 116.55 113.37 3knm n ASP 147 Ca -0.19 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.77 3knm n ASP 147 Cb 0.49 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.33 3knm n ASP 147 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3knm s MET 148 N -4.27 2.26 -0.50 0.11 0.00 -1.26 -4.95 119.30 110.70 3knm s MET 148 Ca 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 55.69 54.39 3knm s MET 148 Cb 0.00 -3.00 0.21 0.00 0.00 0.00 0.00 34.83 32.04 3knm s MET 148 CO 0.00 -0.61 0.82 1.33 0.00 0.00 0.00 175.02 176.56 3knm n VAL 149 N 4.49 0.00 -0.22 10.11 0.24 -1.07 -4.90 118.33 126.96 3knm n VAL 149 Ca -0.13 -1.11 0.08 0.00 -2.04 0.00 0.00 64.34 61.14 3knm n VAL 149 Cb 0.42 1.14 0.15 0.00 -1.47 0.00 0.00 33.84 34.09 3knm n VAL 149 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3knm n ASP 150 N 2.46 -0.13 -3.64 -1.34 5.75 -1.26 -4.55 116.55 113.85 3knm n ASP 150 Ca 0.14 1.09 -0.09 0.00 -0.01 0.00 0.00 54.79 55.93 3knm n ASP 150 Cb 0.59 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 40.24 3knm n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3knm s ALA 151 N -5.62 -1.99 1.03 2.12 0.00 -1.26 -5.17 121.76 110.87 3knm s ALA 151 Ca -0.09 1.96 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 3knm s ALA 151 Cb 0.18 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3knm s ALA 151 CO 0.50 -0.27 -0.49 -0.11 0.00 0.00 0.00 175.76 175.39 3knm n LEU 152 N 2.57 -2.74 -3.56 0.00 0.00 -1.26 -5.05 117.00 106.95 3knm n LEU 152 Ca -0.14 0.05 -0.13 0.00 0.00 0.00 0.00 56.01 55.79 3knm n LEU 152 Cb 0.56 -0.85 -0.06 0.00 0.00 0.00 0.00 43.42 43.08 3knm n LEU 152 CO 0.02 -3.55 0.64 -0.13 0.00 0.00 0.00 177.39 174.37 3knm s ARG 153 N -2.84 0.77 0.00 1.96 3.00 -1.26 -5.03 118.95 115.56 3knm s ARG 153 Ca 0.48 0.24 0.00 0.00 0.00 0.00 0.00 55.73 56.45 3knm s ARG 153 Cb -0.08 0.37 0.00 0.00 0.00 0.00 0.00 34.95 35.23 3knm s ARG 153 CO 0.69 -0.23 0.00 0.41 0.00 0.00 0.00 175.30 176.17 3knm n GLY 154 N 0.93 1.91 0.00 -3.53 0.00 -1.16 -2.51 105.19 100.83 3knm n GLY 154 Ca -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3knm n GLY 154 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3knm n MET 155 N 0.00 0.00 -3.93 1.61 0.00 -0.95 -4.69 117.12 109.16 3knm n MET 155 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 3knm n MET 155 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.08 3knm n MET 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3knm s ASP 156 N 0.00 4.94 -0.06 3.17 1.01 -0.88 -1.95 116.67 122.90 3knm s ASP 156 Ca 0.00 -2.06 -0.22 0.00 0.71 0.00 0.00 52.55 50.98 3knm s ASP 156 Cb 0.00 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 3knm s ASP 156 CO 0.00 -0.43 0.65 -0.63 0.21 0.00 0.00 175.17 174.97 3knm s ILE 157 N 1.01 5.02 -0.25 0.77 1.01 -0.68 -2.34 121.20 125.73 3knm s ILE 157 Ca 0.09 1.34 0.02 0.00 0.00 0.00 0.00 60.65 62.10 3knm s ILE 157 Cb -0.20 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.34 3knm s ILE 157 CO -0.06 0.30 -0.05 0.00 0.00 0.00 0.00 174.94 175.13 3knm s ALA 158 N 0.53 2.19 -0.48 9.38 0.00 -0.93 -0.75 121.76 131.70 3knm s ALA 158 Ca 0.35 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 3knm s ALA 158 Cb -0.18 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.45 3knm s ALA 158 CO 0.17 -1.26 0.67 0.54 0.00 0.00 0.00 175.76 175.88 3knm s VAL 159 N 1.28 4.80 -0.30 0.00 0.11 0.23 -2.10 120.40 124.41 3knm s VAL 159 Ca -0.04 -0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 58.69 3knm s VAL 159 Cb -0.19 -4.28 -0.01 0.00 -1.53 0.00 0.00 36.38 30.37 3knm s VAL 159 CO -0.07 -0.74 0.65 -0.69 -3.33 0.00 0.00 175.10 170.92 3knm s VAL 160 N 2.87 4.92 0.03 2.04 1.01 -0.28 -1.86 120.40 129.13 3knm s VAL 160 Ca 0.20 0.91 0.04 0.00 0.00 0.00 0.00 61.98 63.13 3knm s VAL 160 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3knm s VAL 160 CO 0.16 -0.16 -0.06 -0.89 0.00 0.00 0.00 175.10 174.16 3knm s THR 161 N 2.66 3.70 -0.77 3.92 2.01 -1.23 -1.27 115.64 124.67 3knm s THR 161 Ca 0.26 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3knm s THR 161 Cb -0.15 -2.66 0.19 0.00 0.01 0.00 0.00 72.50 69.90 3knm s THR 161 CO 0.12 0.30 0.83 0.35 -0.69 0.00 0.00 174.62 175.53 3knm n THR 162 N 1.25 0.72 -3.51 -0.82 -2.24 -0.83 -4.47 114.28 104.38 3knm n THR 162 Ca -0.14 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 3knm n THR 162 Cb 0.52 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 3knm n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knm s ALA 163 N -1.37 3.69 -0.07 6.98 0.00 -1.26 -4.62 121.76 125.11 3knm s ALA 163 Ca 0.13 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 3knm s ALA 163 Cb 0.10 -2.36 -0.30 0.00 0.00 0.00 0.00 23.12 20.56 3knm s ALA 163 CO 0.04 0.51 0.72 0.93 0.00 0.00 0.00 175.76 177.95 3knm h GLU 164 N 4.22 0.31 -7.00 0.00 5.08 -1.90 -3.16 114.58 112.14 3knm h GLU 164 Ca -0.50 -0.52 -0.47 0.00 -1.00 0.00 0.00 59.36 56.87 3knm h GLU 164 Cb 1.21 0.20 0.07 0.00 0.50 0.00 0.00 28.75 30.72 3knm h GLU 164 CO 0.64 1.25 0.05 0.95 -1.00 0.00 0.00 179.01 180.90 3knm s THR 165 N -2.48 2.22 -0.02 1.13 -4.23 -1.26 -3.77 115.64 107.22 3knm s THR 165 Ca -0.16 -0.67 -0.13 0.00 -1.18 0.00 0.00 61.69 59.55 3knm s THR 165 Cb 0.03 -2.55 -0.32 0.00 1.34 0.00 0.00 72.50 71.00 3knm s THR 165 CO 0.81 0.00 0.78 0.44 -0.54 0.00 0.00 174.62 176.11 3knm h ASP 166 N -0.33 0.70 -0.68 3.99 3.45 -1.78 -2.76 116.42 119.01 3knm h ASP 166 Ca -0.36 -0.93 0.10 0.00 0.43 0.00 0.00 57.03 56.27 3knm h ASP 166 Cb 1.27 -0.23 -0.12 0.00 -0.56 0.00 0.00 39.33 39.70 3knm h ASP 166 CO 0.42 1.76 -0.41 -0.33 -1.57 0.00 0.00 179.24 179.11 3knm h GLU 167 N 0.11 -0.15 0.14 3.56 5.08 -1.95 1.40 114.58 122.76 3knm h GLU 167 Ca -0.32 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3knm h GLU 167 Cb 2.12 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.40 3knm h GLU 167 CO 0.21 -0.10 -0.07 0.93 -1.00 0.00 0.00 179.01 178.98 3knm h GLU 168 N -0.16 -0.18 -0.93 2.33 5.08 -1.98 0.36 114.58 119.10 3knm h GLU 168 Ca 0.22 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.72 3knm h GLU 168 Cb 0.56 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 3knm h GLU 168 CO -0.76 -0.02 0.56 0.00 -1.00 0.00 0.00 179.01 177.79 3knm h ALA 169 N 0.55 1.41 0.72 3.43 0.00 -0.97 0.18 119.26 124.59 3knm h ALA 169 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3knm h ALA 169 Cb 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3knm h ALA 169 CO 0.03 0.12 -0.35 -0.09 0.00 0.00 0.00 179.25 178.96 3knm h ARG 170 N 0.86 -0.94 -0.68 0.00 9.65 0.23 -1.83 114.38 121.68 3knm h ARG 170 Ca 0.48 0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.48 3knm h ARG 170 Cb 0.53 0.21 -0.08 0.00 -1.39 0.00 0.00 29.97 29.24 3knm h ARG 170 CO -0.29 -0.62 -0.43 0.00 2.80 0.00 0.00 179.97 181.43 3knm h ALA 171 N -1.55 -0.44 -3.00 2.80 0.00 0.46 0.33 119.26 117.86 3knm h ALA 171 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3knm h ALA 171 Cb 0.74 1.24 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3knm h ALA 171 CO 0.16 -0.73 0.00 -0.11 0.00 0.00 0.00 179.25 178.57 3knm n LEU 172 N -4.65 0.00 -0.32 0.00 7.94 0.57 -1.06 117.00 119.47 3knm n LEU 172 Ca 0.01 0.49 0.22 0.00 -1.11 0.00 0.00 56.01 55.61 3knm n LEU 172 Cb 0.20 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.58 3knm n LEU 172 CO -0.10 0.00 1.03 -0.07 -1.11 0.00 0.00 177.39 177.14 3knm h LEU 173 N 0.00 0.25 0.03 -1.96 3.38 -0.89 -0.99 115.31 115.14 3knm h LEU 173 Ca 0.00 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3knm h LEU 173 Cb 0.00 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3knm h LEU 173 CO 0.00 -0.22 -0.07 -0.08 0.09 0.00 0.00 178.44 178.17 3knm h GLU 174 N 0.21 -0.13 0.00 1.13 4.81 0.53 -2.05 114.58 119.08 3knm h GLU 174 Ca 0.69 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 3knm h GLU 174 Cb 1.59 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.00 3knm h GLU 174 CO -0.68 -0.09 0.00 -0.07 -0.73 0.00 0.00 179.01 177.45 3knm h LEU 175 N -0.13 0.00 0.00 1.64 4.07 0.29 -1.72 115.31 119.45 3knm h LEU 175 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3knm h LEU 175 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3knm h LEU 175 CO -0.05 0.00 -0.50 -0.07 -1.08 0.00 0.00 178.44 176.74 3knm h LEU 176 N 0.00 0.00 0.00 1.67 3.38 -1.08 -3.46 115.31 115.82 3knm h LEU 176 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3knm h LEU 176 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3knm h LEU 176 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3knm n GLY 177 N 1.19 1.66 3.65 0.83 0.00 -0.65 -5.09 105.19 106.78 3knm n GLY 177 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3knm n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3knm s PHE 178 N -2.00 2.48 -0.37 1.61 0.40 -0.90 -4.95 117.98 114.24 3knm s PHE 178 Ca 0.00 0.69 -0.29 0.00 -0.60 0.00 0.00 56.93 56.73 3knm s PHE 178 Cb 0.00 -3.72 -0.00 0.00 0.51 0.00 0.00 43.02 39.81 3knm s PHE 178 CO 0.00 -2.51 1.56 -2.14 0.70 0.00 0.00 175.22 172.83 3knm s PRO 179 N 3.86 3.50 -0.32 0.24 0.02 -1.26 -4.63 135.00 136.41 3knm s PRO 179 Ca 0.63 1.15 -0.04 0.00 0.02 0.00 0.00 61.00 62.75 3knm s PRO 179 Cb -0.25 -4.09 0.04 0.00 0.02 0.00 0.00 34.50 30.22 3knm s PRO 179 CO 0.22 -1.65 0.06 -0.06 -0.33 0.00 0.00 177.00 175.23 3knm s PHE 180 N 5.93 3.24 0.43 6.54 0.40 -1.26 0.69 117.98 133.95 3knm s PHE 180 Ca 0.68 -1.58 0.26 0.00 -0.60 0.00 0.00 56.93 55.69 3knm s PHE 180 Cb -0.17 -2.20 1.30 0.00 0.51 0.00 0.00 43.02 42.45 3knm s PHE 180 CO 0.33 -0.75 1.70 -0.09 0.70 0.00 0.00 175.22 177.10 3knm h ARG 181 N 8.13 0.21 0.00 0.44 2.43 -1.69 -3.47 114.38 120.43 3knm h ARG 181 Ca -0.23 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3knm h ARG 181 Cb 1.08 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3knm h ARG 181 CO 0.57 0.14 0.00 1.17 -1.51 0.00 0.00 179.97 180.34