#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s GLN 2 N 0.00 3.38 0.00 1.61 2.00 -1.26 -5.04 119.66 120.35 3kc4 s GLN 2 Ca 0.00 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 3kc4 s GLN 2 Cb 0.00 -3.17 0.00 0.00 0.80 0.00 0.00 33.01 30.64 3kc4 s GLN 2 CO 0.00 -0.25 0.00 1.17 -0.50 0.00 0.00 175.29 175.71 3kc4 n LYS 3 N 4.84 0.00 -4.11 1.67 3.00 -1.26 -5.17 118.16 117.13 3kc4 n LYS 3 Ca -0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.85 3kc4 n LYS 3 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.46 3kc4 n LYS 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kc4 s VAL 4 N -0.72 4.17 0.44 3.15 0.11 -1.26 -5.10 120.40 121.19 3kc4 s VAL 4 Ca 0.00 -0.97 -0.25 0.00 -2.93 0.00 0.00 61.98 57.83 3kc4 s VAL 4 Cb 0.00 -3.01 -0.08 0.00 -1.53 0.00 0.00 36.38 31.76 3kc4 s VAL 4 CO 0.00 0.09 1.38 -1.00 -3.33 0.00 0.00 175.10 172.23 3kc4 s HIS 5 N -1.39 2.59 -0.36 1.54 0.09 -1.26 -4.90 115.29 111.61 3kc4 s HIS 5 Ca 0.27 1.32 0.07 0.00 -0.00 0.00 0.00 55.06 56.72 3kc4 s HIS 5 Cb -0.12 -3.82 0.55 0.00 -0.00 0.00 0.00 32.58 29.20 3kc4 s HIS 5 CO 0.20 -2.61 1.61 -0.35 -0.00 0.00 0.00 174.74 173.59 3kc4 n PRO 6 N -0.11 2.05 -0.08 8.40 -0.04 -1.26 -3.91 135.00 140.05 3kc4 n PRO 6 Ca 0.05 -3.19 0.05 0.00 -0.04 0.00 0.00 63.50 60.37 3kc4 n PRO 6 Cb 0.43 -1.96 0.09 0.00 -0.04 0.00 0.00 33.50 32.02 3kc4 n PRO 6 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kc4 n ASN 7 N -1.11 2.36 -0.01 3.54 0.23 -1.23 -4.45 115.26 114.59 3kc4 n ASN 7 Ca 0.43 -1.71 -0.08 0.00 -0.53 0.00 0.00 54.58 52.69 3kc4 n ASN 7 Cb 1.20 -0.10 -0.14 0.00 -2.08 0.00 0.00 39.78 38.66 3kc4 n ASN 7 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3kc4 h GLY 8 N 2.01 0.00 0.08 4.83 0.00 -1.90 -2.10 103.07 106.00 3kc4 h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kc4 h GLY 8 CO 0.00 0.00 -0.86 4.51 0.00 0.00 0.00 176.54 180.19 3kc4 n ILE 9 N -3.07 0.00 -0.12 2.60 3.06 -1.26 -3.29 119.36 117.28 3kc4 n ILE 9 Ca -0.15 -0.02 -0.13 0.00 -2.50 0.00 0.00 62.75 59.95 3kc4 n ILE 9 Cb 1.04 0.89 -0.02 0.00 0.54 0.00 0.00 39.64 42.08 3kc4 n ILE 9 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 3kc4 h ARG 10 N 0.23 0.94 -6.67 9.51 2.47 -1.78 -3.45 114.38 115.63 3kc4 h ARG 10 Ca 0.00 -0.48 -0.56 0.00 -1.26 0.00 0.00 59.98 57.68 3kc4 h ARG 10 Cb 0.52 0.01 0.08 0.00 -1.65 0.00 0.00 29.97 28.93 3kc4 h ARG 10 CO 0.00 1.14 0.76 -0.11 0.56 0.00 0.00 179.97 182.32 3kc4 n LEU 11 N -4.08 3.68 0.00 3.04 0.00 -0.79 -1.34 117.00 117.51 3kc4 n LEU 11 Ca -0.02 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.12 3kc4 n LEU 11 Cb 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.45 3kc4 n LEU 11 CO 0.48 -0.17 0.00 0.61 0.00 0.00 0.00 177.39 178.31 3kc4 n GLY 12 N 2.37 0.56 1.59 -3.96 0.00 -1.26 -4.77 105.19 99.72 3kc4 n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3kc4 n GLY 12 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kc4 n ILE 13 N -2.00 0.00 -4.02 -0.61 5.41 -0.99 -5.10 119.36 112.05 3kc4 n ILE 13 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 3kc4 n ILE 13 Cb 0.00 -0.77 -0.00 0.00 -0.71 0.00 0.00 39.64 38.15 3kc4 n ILE 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3kc4 n VAL 14 N -2.61 0.00 -0.31 1.39 0.24 -0.45 -5.13 118.33 111.48 3kc4 n VAL 14 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3kc4 n VAL 14 Cb 0.16 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3kc4 n VAL 14 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kc4 n LYS 15 N -0.03 -0.86 -0.55 7.34 3.00 -1.26 -3.37 118.16 122.43 3kc4 n LYS 15 Ca -0.00 0.64 -0.24 0.00 -0.00 0.00 0.00 58.31 58.72 3kc4 n LYS 15 Cb 0.02 -0.75 0.17 0.00 0.00 0.00 0.00 35.03 34.47 3kc4 n LYS 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3kc4 n PRO 16 N -1.20 -2.30 -3.90 1.64 -0.02 -1.26 -4.59 135.00 123.37 3kc4 n PRO 16 Ca 0.00 -0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 60.71 3kc4 n PRO 16 Cb 0.03 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 3kc4 n PRO 16 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kc4 s TRP 17 N -2.12 0.26 0.00 6.00 0.51 -1.26 -4.78 118.94 117.55 3kc4 s TRP 17 Ca 0.45 -0.62 0.00 0.00 -2.12 0.00 0.00 56.10 53.81 3kc4 s TRP 17 Cb -0.08 0.05 0.00 0.00 -0.81 0.00 0.00 33.47 32.63 3kc4 s TRP 17 CO 0.46 -0.76 0.10 -1.71 -0.51 0.00 0.00 176.95 174.53 3kc4 n ASN 18 N -0.24 0.00 -1.82 2.95 2.85 -1.23 -4.31 115.26 113.47 3kc4 n ASN 18 Ca -0.08 -0.87 -0.04 0.00 -0.11 0.00 0.00 54.58 53.48 3kc4 n ASN 18 Cb 0.63 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.68 3kc4 n ASN 18 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3kc4 n SER 19 N 0.00 -1.22 -4.55 1.20 7.64 -0.85 -4.35 113.62 111.48 3kc4 n SER 19 Ca 0.00 -2.09 -0.36 0.00 1.01 0.00 0.00 58.87 57.42 3kc4 n SER 19 Cb 0.43 0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 64.09 3kc4 n SER 19 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3kc4 s THR 20 N 0.06 3.26 0.00 0.44 -1.32 -1.18 -4.59 115.64 112.31 3kc4 s THR 20 Ca 0.04 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 3kc4 s THR 20 Cb 0.22 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 3kc4 s THR 20 CO -0.06 -0.66 0.00 -2.67 -2.21 0.00 0.00 174.62 169.01 3kc4 n TRP 21 N 13.82 0.00 -4.32 9.09 4.27 -1.26 -3.49 117.44 135.55 3kc4 n TRP 21 Ca 0.27 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.61 3kc4 n TRP 21 Cb 0.52 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.39 3kc4 n TRP 21 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3kc4 s PHE 22 N -2.00 2.38 -0.04 -2.67 5.36 -1.26 -5.08 117.98 114.68 3kc4 s PHE 22 Ca 0.00 -0.69 0.01 0.00 -0.96 0.00 0.00 56.93 55.30 3kc4 s PHE 22 Cb 0.00 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.86 3kc4 s PHE 22 CO 0.00 0.20 0.58 0.00 -1.46 0.00 0.00 175.22 174.53 3kc4 n ALA 23 N -1.22 0.72 -0.97 11.12 0.00 -1.26 -4.97 120.51 123.94 3kc4 n ALA 23 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3kc4 n ALA 23 Cb 0.66 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3kc4 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kc4 n ASN 24 N -0.17 -3.51 -3.47 0.00 3.02 -1.26 -2.51 115.26 107.36 3kc4 n ASN 24 Ca -0.12 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.18 3kc4 n ASN 24 Cb 0.51 -1.59 0.04 0.00 -0.61 0.00 0.00 39.78 38.13 3kc4 n ASN 24 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kc4 n THR 25 N -2.50 -2.09 -0.35 3.41 -2.24 -1.26 -4.67 114.28 104.57 3kc4 n THR 25 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kc4 n THR 25 Cb 0.17 -3.16 0.00 0.00 -2.10 0.00 0.00 70.33 65.23 3kc4 n THR 25 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3kc4 n LYS 26 N -4.42 0.00 -0.02 -0.78 2.85 -1.25 -4.79 118.16 109.75 3kc4 n LYS 26 Ca -0.02 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.24 3kc4 n LYS 26 Cb 0.57 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.87 3kc4 n LYS 26 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3kc4 n GLU 27 N 0.00 1.28 -0.14 -1.58 1.02 -1.18 -4.01 120.64 116.04 3kc4 n GLU 27 Ca 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 57.05 3kc4 n GLU 27 Cb 0.00 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3kc4 n GLU 27 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kc4 n PHE 28 N -2.08 -0.14 -0.20 -0.32 -0.00 -1.04 -3.08 117.46 110.59 3kc4 n PHE 28 Ca -0.08 0.41 -0.05 0.00 -0.00 0.00 0.00 57.45 57.72 3kc4 n PHE 28 Cb 0.51 -0.44 0.00 0.00 -0.00 0.00 0.00 39.48 39.55 3kc4 n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kc4 h ALA 29 N -0.20 -0.07 0.19 3.13 0.00 -1.87 -2.60 119.26 117.84 3kc4 h ALA 29 Ca 0.05 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kc4 h ALA 29 Cb 0.13 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3kc4 h ALA 29 CO -0.31 -0.69 -0.34 0.22 0.00 0.00 0.00 179.25 178.14 3kc4 h ASP 30 N -0.17 -0.97 -0.58 0.00 1.82 -1.72 -3.04 116.42 111.75 3kc4 h ASP 30 Ca 0.23 0.09 0.17 0.00 -0.39 0.00 0.00 57.03 57.13 3kc4 h ASP 30 Cb 0.55 0.34 -0.02 0.00 0.68 0.00 0.00 39.33 40.88 3kc4 h ASP 30 CO -0.68 -0.39 0.52 0.78 -1.61 0.00 0.00 179.24 177.86 3kc4 h ASN 31 N -0.56 0.00 0.00 2.28 4.21 -1.47 0.27 115.58 120.31 3kc4 h ASN 31 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3kc4 h ASN 31 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3kc4 h ASN 31 CO -0.12 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.20 3kc4 n LEU 32 N -3.92 0.11 -0.20 1.61 4.77 -1.05 -1.89 117.00 116.43 3kc4 n LEU 32 Ca 0.11 0.80 0.01 0.00 -0.03 0.00 0.00 56.01 56.90 3kc4 n LEU 32 Cb 0.75 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.57 3kc4 n LEU 32 CO 0.31 -0.38 0.91 -0.78 -1.33 0.00 0.00 177.39 176.12 3kc4 h ASP 33 N 0.00 -0.04 -0.53 -1.43 1.82 -1.31 -2.52 116.42 112.42 3kc4 h ASP 33 Ca 0.00 0.12 0.11 0.00 -0.39 0.00 0.00 57.03 56.86 3kc4 h ASP 33 Cb 0.00 0.17 -0.09 0.00 0.68 0.00 0.00 39.33 40.09 3kc4 h ASP 33 CO 0.00 -0.01 -0.03 0.28 -1.61 0.00 0.00 179.24 177.87 3kc4 h SER 34 N 0.24 -0.30 0.12 2.28 0.02 -1.06 -2.12 113.55 112.72 3kc4 h SER 34 Ca 0.31 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.42 3kc4 h SER 34 Cb 0.47 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3kc4 h SER 34 CO -0.42 -0.11 -0.26 -0.78 -1.14 0.00 0.00 176.83 174.12 3kc4 h ASP 35 N 0.08 -0.74 -0.65 3.07 3.58 -0.94 -2.89 116.42 117.93 3kc4 h ASP 35 Ca 0.27 0.09 0.15 0.00 0.42 0.00 0.00 57.03 57.95 3kc4 h ASP 35 Cb 0.41 0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 3kc4 h ASP 35 CO -0.47 -0.35 0.45 -0.26 -2.88 0.00 0.00 179.24 175.72 3kc4 h PHE 36 N -0.47 0.25 -0.42 0.28 0.05 -1.15 -2.89 116.94 112.59 3kc4 h PHE 36 Ca 0.03 0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.90 3kc4 h PHE 36 Cb 0.50 -0.08 -0.09 0.00 2.00 0.00 0.00 35.95 38.27 3kc4 h PHE 36 CO -0.24 0.10 -0.44 0.87 -0.18 0.00 0.00 178.31 178.42 3kc4 h LYS 37 N 0.22 -0.31 -0.66 1.51 1.57 -1.54 -1.86 116.57 115.50 3kc4 h LYS 37 Ca 0.31 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.22 3kc4 h LYS 37 Cb 0.92 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 3kc4 h LYS 37 CO -0.06 -0.21 0.26 0.28 -0.57 0.00 0.00 179.45 179.15 3kc4 h VAL 38 N -0.33 0.76 -0.04 0.50 2.07 -1.74 -2.97 116.25 114.50 3kc4 h VAL 38 Ca 0.13 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kc4 h VAL 38 Cb 0.58 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3kc4 h VAL 38 CO -0.59 0.08 -0.00 0.03 0.02 0.00 0.00 177.57 177.11 3kc4 h ARG 39 N 0.45 0.06 0.15 1.57 3.08 -1.49 -1.50 114.38 116.69 3kc4 h ARG 39 Ca 0.34 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3kc4 h ARG 39 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3kc4 h ARG 39 CO -0.32 0.07 -0.07 1.96 -1.07 0.00 0.00 179.97 180.53 3kc4 h GLN 40 N 0.06 -0.19 -0.42 0.04 4.20 -1.45 -3.24 115.11 114.10 3kc4 h GLN 40 Ca 0.01 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.76 3kc4 h GLN 40 Cb 0.05 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3kc4 h GLN 40 CO 0.00 0.09 0.23 1.88 -0.67 0.00 0.00 178.83 180.36 3kc4 h TYR 41 N -0.47 0.44 0.00 2.96 0.99 -1.37 -2.94 116.97 116.57 3kc4 h TYR 41 Ca -0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kc4 h TYR 41 Cb 0.37 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 37.96 3kc4 h TYR 41 CO 0.01 0.24 0.00 1.28 -0.00 0.00 0.00 178.16 179.70 3kc4 n LEU 42 N -4.88 0.00 -0.19 3.88 4.77 -0.94 -1.33 117.00 118.32 3kc4 n LEU 42 Ca 0.02 0.91 0.30 0.00 -0.03 0.00 0.00 56.01 57.21 3kc4 n LEU 42 Cb 0.08 -0.41 0.72 0.00 -2.33 0.00 0.00 43.42 41.48 3kc4 n LEU 42 CO 0.31 -0.41 1.27 0.71 -1.33 0.00 0.00 177.39 177.94 3kc4 h THR 43 N 0.00 0.44 0.08 -5.08 1.35 -1.65 -2.09 112.91 105.96 3kc4 h THR 43 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.67 3kc4 h THR 43 Cb 0.00 0.48 0.02 0.00 -1.73 0.00 0.00 68.15 66.92 3kc4 h THR 43 CO 0.00 0.00 -0.80 0.50 -0.25 0.00 0.00 175.52 174.97 3kc4 h LYS 44 N 0.00 0.40 0.00 4.72 3.11 -1.16 -2.88 116.57 120.76 3kc4 h LYS 44 Ca 0.44 -0.54 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 3kc4 h LYS 44 Cb 1.88 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 33.29 3kc4 h LYS 44 CO -0.00 1.21 0.00 0.39 -2.81 0.00 0.00 179.45 178.23 3kc4 n GLU 45 N -4.11 0.28 -3.51 1.90 1.02 -0.44 -4.69 120.64 111.09 3kc4 n GLU 45 Ca -0.12 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 3kc4 n GLU 45 Cb 0.79 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 3kc4 n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kc4 s LEU 46 N -2.69 4.15 0.00 -4.62 1.43 -0.84 -4.89 118.68 111.22 3kc4 s LEU 46 Ca 0.22 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3kc4 s LEU 46 Cb 0.18 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3kc4 s LEU 46 CO 0.44 -0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.91 3kc4 n ALA 47 N -0.70 0.15 0.74 4.21 0.00 -1.26 -4.91 120.51 118.73 3kc4 n ALA 47 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3kc4 n ALA 47 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.11 3kc4 n ALA 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kc4 n LYS 48 N 0.00 0.18 -3.54 0.00 5.02 -1.26 -4.86 118.16 113.70 3kc4 n LYS 48 Ca 0.00 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.14 3kc4 n LYS 48 Cb 0.16 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3kc4 n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kc4 s ALA 49 N -3.11 -1.79 0.31 7.82 0.00 -1.26 -4.67 121.76 119.05 3kc4 s ALA 49 Ca 0.07 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 3kc4 s ALA 49 Cb 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 3kc4 s ALA 49 CO 0.75 -0.36 1.46 -1.54 0.00 0.00 0.00 175.76 176.07 3kc4 s SER 50 N -0.96 6.54 -0.00 0.00 1.04 -1.26 -4.65 113.70 114.40 3kc4 s SER 50 Ca -0.09 2.83 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 3kc4 s SER 50 Cb -0.01 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 3kc4 s SER 50 CO 0.08 -0.76 0.35 0.68 0.98 0.00 0.00 173.24 174.57 3kc4 s VAL 51 N -0.52 5.15 0.24 5.02 -7.23 -1.26 -0.42 120.40 121.37 3kc4 s VAL 51 Ca 0.56 0.60 0.06 0.00 -1.81 0.00 0.00 61.98 61.39 3kc4 s VAL 51 Cb -0.44 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 32.84 3kc4 s VAL 51 CO 0.51 0.51 0.30 -0.44 -0.31 0.00 0.00 175.10 175.67 3kc4 s SER 52 N -1.25 6.03 -0.33 4.85 0.01 -1.19 -3.89 113.70 117.92 3kc4 s SER 52 Ca 0.24 -0.04 -0.42 0.00 1.31 0.00 0.00 55.95 57.05 3kc4 s SER 52 Cb -0.15 -1.70 -0.16 0.00 0.21 0.00 0.00 66.02 64.22 3kc4 s SER 52 CO 0.13 -0.05 1.74 -1.14 0.41 0.00 0.00 173.24 174.33 3kc4 n ARG 53 N -1.26 0.90 -3.22 12.44 0.63 -1.26 -4.38 116.66 120.51 3kc4 n ARG 53 Ca -0.08 0.33 -0.40 0.00 -0.92 0.00 0.00 57.85 56.78 3kc4 n ARG 53 Cb 0.57 -1.98 -0.07 0.00 0.45 0.00 0.00 32.46 31.43 3kc4 n ARG 53 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3kc4 s ILE 54 N 3.58 5.08 0.10 5.15 2.07 -1.26 -4.77 121.20 131.15 3kc4 s ILE 54 Ca 1.01 0.99 -0.09 0.00 -1.41 0.00 0.00 60.65 61.14 3kc4 s ILE 54 Cb -1.16 -3.86 -0.00 0.00 0.13 0.00 0.00 42.46 37.56 3kc4 s ILE 54 CO 0.69 0.14 0.21 0.68 -1.91 0.00 0.00 174.94 174.76 3kc4 s VAL 55 N 1.84 0.13 0.05 4.00 -7.23 -1.26 -5.10 120.40 112.83 3kc4 s VAL 55 Ca 0.24 -1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 3kc4 s VAL 55 Cb -0.16 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.43 3kc4 s VAL 55 CO 0.10 -0.58 0.43 0.27 -0.31 0.00 0.00 175.10 175.00 3kc4 s ILE 56 N -3.87 0.05 0.02 -0.62 -4.36 -1.26 -4.83 121.20 106.33 3kc4 s ILE 56 Ca 0.06 -0.42 -0.20 0.00 -0.26 0.00 0.00 60.65 59.83 3kc4 s ILE 56 Cb 0.04 -0.96 -0.18 0.00 1.25 0.00 0.00 42.46 42.62 3kc4 s ILE 56 CO -0.10 -0.23 1.22 -0.08 0.24 0.00 0.00 174.94 175.99 3kc4 h GLU 57 N 2.97 0.38 -5.22 0.37 4.81 -1.84 -3.34 114.58 112.70 3kc4 h GLU 57 Ca -0.31 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 3kc4 h GLU 57 Cb 1.21 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kc4 h GLU 57 CO 0.43 0.92 -0.63 0.54 -0.73 0.00 0.00 179.01 179.53 3kc4 n ARG 58 N -4.41 -2.68 -2.97 1.92 1.74 -1.22 -2.01 116.66 107.03 3kc4 n ARG 58 Ca -0.08 2.31 -0.43 0.00 -0.77 0.00 0.00 57.85 58.87 3kc4 n ARG 58 Cb 0.50 -5.58 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 3kc4 n ARG 58 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kc4 s PRO 59 N -2.33 3.17 -1.34 5.56 0.04 -1.26 -3.11 135.00 135.73 3kc4 s PRO 59 Ca 0.18 -0.74 -0.01 0.00 0.04 0.00 0.00 61.00 60.47 3kc4 s PRO 59 Cb -0.05 -4.15 0.01 0.00 0.04 0.00 0.00 34.50 30.35 3kc4 s PRO 59 CO 0.77 -1.52 0.69 0.00 0.04 0.00 0.00 177.00 176.98 3kc4 n ALA 60 N 7.04 -1.95 -2.22 8.56 0.00 -1.23 -4.17 120.51 126.54 3kc4 n ALA 60 Ca -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 3kc4 n ALA 60 Cb 0.46 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3kc4 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kc4 n LYS 61 N -4.32 -0.76 -3.73 0.00 5.02 -1.24 -5.07 118.16 108.06 3kc4 n LYS 61 Ca -0.27 1.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.92 3kc4 n LYS 61 Cb 0.67 -3.53 -0.15 0.00 -0.02 0.00 0.00 35.03 31.99 3kc4 n LYS 61 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3kc4 s SER 62 N -2.31 0.20 0.48 4.39 0.01 -1.26 -4.43 113.70 110.79 3kc4 s SER 62 Ca 0.03 0.23 -0.21 0.00 1.31 0.00 0.00 55.95 57.31 3kc4 s SER 62 Cb -0.01 0.12 -0.08 0.00 0.21 0.00 0.00 66.02 66.27 3kc4 s SER 62 CO 0.36 -0.17 1.08 -0.51 0.41 0.00 0.00 173.24 174.41 3kc4 s ILE 63 N 1.45 3.51 -0.08 1.44 2.07 -1.22 -3.44 121.20 124.94 3kc4 s ILE 63 Ca -0.06 1.01 0.13 0.00 -1.41 0.00 0.00 60.65 60.33 3kc4 s ILE 63 Cb -0.12 -3.45 0.25 0.00 0.13 0.00 0.00 42.46 39.27 3kc4 s ILE 63 CO -0.05 -0.13 1.12 0.54 -1.91 0.00 0.00 174.94 174.51 3kc4 n ARG 64 N -0.79 0.69 -3.40 3.50 1.74 -1.26 -3.36 116.66 113.77 3kc4 n ARG 64 Ca 0.09 -2.12 -0.23 0.00 -0.77 0.00 0.00 57.85 54.82 3kc4 n ARG 64 Cb 0.51 -0.92 0.07 0.00 -1.02 0.00 0.00 32.46 31.10 3kc4 n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kc4 n VAL 65 N -0.55 -2.66 -3.56 1.55 0.31 -1.22 -2.26 118.33 109.95 3kc4 n VAL 65 Ca 0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.03 3kc4 n VAL 65 Cb 0.77 -3.82 -0.11 0.00 -0.91 0.00 0.00 33.84 29.77 3kc4 n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kc4 s THR 66 N -3.27 5.22 -0.10 2.52 2.01 -1.26 -4.08 115.64 116.67 3kc4 s THR 66 Ca 0.49 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 3kc4 s THR 66 Cb -0.22 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.69 3kc4 s THR 66 CO 0.61 0.05 0.01 -0.51 -0.69 0.00 0.00 174.62 174.10 3kc4 s ILE 67 N 1.72 0.38 0.13 1.82 1.10 -1.25 -4.75 121.20 120.35 3kc4 s ILE 67 Ca 0.06 -0.03 -0.10 0.00 -0.51 0.00 0.00 60.65 60.07 3kc4 s ILE 67 Cb -0.17 -0.64 -0.06 0.00 0.15 0.00 0.00 42.46 41.74 3kc4 s ILE 67 CO 0.10 0.13 0.45 -1.00 -2.11 0.00 0.00 174.94 172.52 3kc4 s HIS 68 N 1.96 3.54 -0.06 3.50 3.76 -1.18 -4.23 115.29 122.58 3kc4 s HIS 68 Ca 0.04 0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 55.65 3kc4 s HIS 68 Cb -0.13 -2.19 0.02 0.00 1.11 0.00 0.00 32.58 31.39 3kc4 s HIS 68 CO -0.06 0.45 0.29 0.95 -0.85 0.00 0.00 174.74 175.52 3kc4 s THR 69 N -1.52 0.03 0.08 1.30 -4.23 -1.26 -3.19 115.64 106.86 3kc4 s THR 69 Ca 0.37 -0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 60.43 3kc4 s THR 69 Cb -0.13 -0.51 -0.10 0.00 1.34 0.00 0.00 72.50 73.10 3kc4 s THR 69 CO 0.20 -0.14 1.60 0.00 -0.54 0.00 0.00 174.62 175.74 3kc4 h ALA 70 N 4.82 0.22 -3.41 3.99 0.00 -0.94 -0.15 119.26 123.79 3kc4 h ALA 70 Ca -0.28 -0.12 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 3kc4 h ALA 70 Cb 1.18 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 18.54 3kc4 h ALA 70 CO 0.36 -0.17 -0.64 1.03 0.00 0.00 0.00 179.25 179.83 3kc4 s ARG 71 N -5.45 1.84 0.29 0.00 3.00 -1.26 -3.75 118.95 113.63 3kc4 s ARG 71 Ca -0.14 -1.78 0.23 0.00 0.00 0.00 0.00 55.73 54.05 3kc4 s ARG 71 Cb 0.07 -3.38 1.07 0.00 0.00 0.00 0.00 34.95 32.71 3kc4 s ARG 71 CO 0.71 -0.96 1.71 -0.35 0.00 0.00 0.00 175.30 176.40 3kc4 n PRO 72 N 4.46 0.18 0.07 3.54 -0.04 -1.25 -3.91 135.00 138.04 3kc4 n PRO 72 Ca -0.01 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 64.03 3kc4 n PRO 72 Cb 0.42 -1.92 0.34 0.00 -0.04 0.00 0.00 33.50 32.30 3kc4 n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kc4 n GLY 73 N -0.47 -0.93 0.02 0.55 0.00 -1.26 -1.12 105.19 101.97 3kc4 n GLY 73 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 3kc4 n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kc4 n ILE 74 N -1.85 0.25 -0.09 -0.61 5.41 -1.25 -3.39 119.36 117.83 3kc4 n ILE 74 Ca 0.01 -0.14 -0.08 0.00 1.00 0.00 0.00 62.75 63.54 3kc4 n ILE 74 Cb 0.12 -0.86 0.09 0.00 -0.71 0.00 0.00 39.64 38.28 3kc4 n ILE 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kc4 h VAL 75 N 0.00 1.27 0.00 1.39 2.07 -1.61 -3.24 116.25 116.13 3kc4 h VAL 75 Ca -0.10 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3kc4 h VAL 75 Cb 1.21 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3kc4 h VAL 75 CO 0.00 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.03 3kc4 n ILE 76 N -4.12 0.00 1.55 4.57 0.13 -0.64 -4.72 119.36 116.13 3kc4 n ILE 76 Ca 0.00 0.00 0.15 0.00 -1.10 0.00 0.00 62.75 61.80 3kc4 n ILE 76 Cb 0.43 0.10 0.73 0.00 -0.84 0.00 0.00 39.64 40.06 3kc4 n ILE 76 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3kc4 n GLY 77 N 0.00 -1.03 2.97 4.50 0.00 -0.28 -4.32 105.19 107.04 3kc4 n GLY 77 Ca 0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3kc4 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 s LYS 78 N -2.38 1.71 0.24 1.61 1.02 -1.22 -4.75 119.74 115.97 3kc4 s LYS 78 Ca 0.33 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.96 3kc4 s LYS 78 Cb 0.21 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 3kc4 s LYS 78 CO 0.44 -0.13 0.00 1.63 -0.92 0.00 0.00 175.35 176.37 3kc4 n LYS 79 N 4.42 -1.66 0.00 1.68 5.02 -1.26 -4.64 118.16 121.72 3kc4 n LYS 79 Ca -0.18 1.30 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 3kc4 n LYS 79 Cb 0.51 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3kc4 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kc4 n GLY 80 N -2.02 0.26 0.24 0.72 0.00 -1.26 -4.48 105.19 98.64 3kc4 n GLY 80 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3kc4 n GLY 80 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kc4 h GLU 81 N 0.00 0.18 0.00 1.61 5.08 -1.96 -3.38 114.58 116.12 3kc4 h GLU 81 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kc4 h GLU 81 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kc4 h GLU 81 CO 0.00 0.12 0.00 -0.25 -1.00 0.00 0.00 179.01 177.88 3kc4 n ASP 82 N -5.22 0.00 -0.30 1.42 8.00 -1.26 -3.08 116.55 116.10 3kc4 n ASP 82 Ca 0.10 0.90 0.14 0.00 0.71 0.00 0.00 54.79 56.65 3kc4 n ASP 82 Cb 0.37 -0.40 0.38 0.00 -0.02 0.00 0.00 41.12 41.45 3kc4 n ASP 82 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3kc4 h VAL 83 N 0.00 0.75 0.25 2.53 -1.51 -1.93 -1.91 116.25 114.43 3kc4 h VAL 83 Ca 0.00 -0.23 0.01 0.00 -1.23 0.00 0.00 66.70 65.25 3kc4 h VAL 83 Cb 0.00 0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.15 3kc4 h VAL 83 CO 0.00 0.12 -0.40 -0.33 -1.23 0.00 0.00 177.57 175.73 3kc4 h GLU 84 N 0.67 -0.70 -0.93 5.19 5.08 -1.76 -0.22 114.58 121.91 3kc4 h GLU 84 Ca 0.51 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.07 3kc4 h GLU 84 Cb 0.90 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 3kc4 h GLU 84 CO -0.27 -0.47 0.54 0.87 -1.00 0.00 0.00 179.01 178.68 3kc4 h LYS 85 N -0.72 0.74 -0.26 2.33 1.57 -1.32 -2.76 116.57 116.15 3kc4 h LYS 85 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3kc4 h LYS 85 Cb 0.70 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kc4 h LYS 85 CO -0.15 0.49 0.01 -0.07 -0.57 0.00 0.00 179.45 179.16 3kc4 h LEU 86 N 0.77 0.43 -1.51 2.94 3.38 -0.57 -2.58 115.31 118.17 3kc4 h LEU 86 Ca 0.50 -0.29 0.29 0.00 0.09 0.00 0.00 57.88 58.47 3kc4 h LEU 86 Cb 0.66 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 3kc4 h LEU 86 CO -0.33 0.62 0.71 0.03 0.09 0.00 0.00 178.44 179.55 3kc4 h ARG 87 N 0.23 0.28 0.23 1.13 3.08 -0.78 0.27 114.38 118.82 3kc4 h ARG 87 Ca 0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3kc4 h ARG 87 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3kc4 h ARG 87 CO 0.01 0.19 -0.11 -0.22 -1.07 0.00 0.00 179.97 178.77 3kc4 h LYS 88 N 0.29 -0.30 -0.85 0.04 3.64 -1.44 -2.96 116.57 114.99 3kc4 h LYS 88 Ca 0.60 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 60.20 3kc4 h LYS 88 Cb 1.71 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 33.47 3kc4 h LYS 88 CO -0.24 0.06 0.28 0.28 -2.27 0.00 0.00 179.45 177.56 3kc4 h VAL 89 N -0.92 0.43 0.49 2.00 2.07 -0.86 -2.38 116.25 117.09 3kc4 h VAL 89 Ca -0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3kc4 h VAL 89 Cb 0.50 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3kc4 h VAL 89 CO 0.05 0.05 -0.37 0.58 0.02 0.00 0.00 177.57 177.90 3kc4 h VAL 90 N 0.30 0.24 -0.95 2.57 2.07 -0.57 -2.00 116.25 117.91 3kc4 h VAL 90 Ca 0.51 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.28 3kc4 h VAL 90 Cb 0.97 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.86 3kc4 h VAL 90 CO -0.57 0.00 0.49 0.00 0.02 0.00 0.00 177.57 177.51 3kc4 h ALA 91 N -0.47 1.63 0.41 1.67 0.00 -1.33 -2.08 119.26 119.10 3kc4 h ALA 91 Ca -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kc4 h ALA 91 Cb 0.72 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kc4 h ALA 91 CO 0.01 -0.34 -0.20 -0.44 0.00 0.00 0.00 179.25 178.27 3kc4 h ASP 92 N 0.46 -0.47 0.31 0.00 3.45 -0.91 -3.39 116.42 115.86 3kc4 h ASP 92 Ca 0.61 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.95 3kc4 h ASP 92 Cb 1.20 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 3kc4 h ASP 92 CO -0.52 -0.11 -0.15 0.40 -1.57 0.00 0.00 179.24 177.29 3kc4 h ILE 93 N -0.87 0.00 -4.01 0.35 1.08 -1.10 -3.46 117.51 109.50 3kc4 h ILE 93 Ca -0.06 -0.56 -0.54 0.00 -0.39 0.00 0.00 64.86 63.31 3kc4 h ILE 93 Cb 0.55 0.00 0.12 0.00 -3.07 0.00 0.00 36.82 34.42 3kc4 h ILE 93 CO 0.09 0.00 0.64 0.00 -0.69 0.00 0.00 178.15 178.20 3kc4 s ALA 94 N -3.66 3.08 -0.44 1.87 0.00 -0.80 -4.89 121.76 116.91 3kc4 s ALA 94 Ca -0.06 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.32 3kc4 s ALA 94 Cb 0.01 -3.56 0.49 0.00 0.00 0.00 0.00 23.12 20.06 3kc4 s ALA 94 CO 0.18 -1.17 1.39 0.41 0.00 0.00 0.00 175.76 176.57 3kc4 n GLY 95 N 0.63 2.82 3.06 0.00 0.00 -1.09 -4.69 105.19 105.91 3kc4 n GLY 95 Ca 0.07 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3kc4 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kc4 s VAL 96 N -2.10 0.16 0.19 1.61 -7.23 -1.26 -4.81 120.40 106.96 3kc4 s VAL 96 Ca 0.35 -1.33 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 3kc4 s VAL 96 Cb 0.28 -0.93 -0.07 0.00 0.56 0.00 0.00 36.38 36.22 3kc4 s VAL 96 CO 0.09 -0.73 0.49 -2.16 -0.31 0.00 0.00 175.10 172.48 3kc4 s PRO 97 N -2.76 3.75 0.22 4.82 0.04 -1.26 -4.51 135.00 135.30 3kc4 s PRO 97 Ca -0.04 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 60.85 3kc4 s PRO 97 Cb -0.00 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 3kc4 s PRO 97 CO -0.06 0.38 1.50 0.00 0.04 0.00 0.00 177.00 178.86 3kc4 s ALA 98 N -1.74 3.69 -0.06 8.56 0.00 -1.26 -3.44 121.76 127.51 3kc4 s ALA 98 Ca 0.45 1.36 -0.07 0.00 0.00 0.00 0.00 51.96 53.70 3kc4 s ALA 98 Cb -0.12 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.43 3kc4 s ALA 98 CO 0.22 -0.77 0.18 -0.65 0.00 0.00 0.00 175.76 174.74 3kc4 s GLN 99 N 0.22 0.25 -0.15 0.00 -1.52 -1.22 -4.90 119.66 112.36 3kc4 s GLN 99 Ca 0.64 0.19 -0.29 0.00 -1.95 0.00 0.00 55.36 53.94 3kc4 s GLN 99 Cb -0.43 0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 32.46 3kc4 s GLN 99 CO 0.39 -0.04 1.25 -1.50 -0.25 0.00 0.00 175.29 175.14 3kc4 s ILE 100 N -0.07 4.28 -0.05 1.08 2.07 -1.26 -3.44 121.20 123.81 3kc4 s ILE 100 Ca -0.02 1.56 0.02 0.00 -1.41 0.00 0.00 60.65 60.80 3kc4 s ILE 100 Cb -0.02 -4.00 0.06 0.00 0.13 0.00 0.00 42.46 38.63 3kc4 s ILE 100 CO 0.00 -0.11 0.59 -3.20 -1.91 0.00 0.00 174.94 170.31 3kc4 n ASN 101 N 6.35 -0.25 -4.77 4.50 5.15 -0.96 -5.03 115.26 120.25 3kc4 n ASN 101 Ca 0.13 -1.05 -0.41 0.00 -0.60 0.00 0.00 54.58 52.65 3kc4 n ASN 101 Cb 0.45 0.11 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 3kc4 n ASN 101 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3kc4 s ILE 102 N 0.02 2.16 -0.09 -1.44 2.07 -1.07 -4.61 121.20 118.25 3kc4 s ILE 102 Ca 0.01 0.15 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 3kc4 s ILE 102 Cb 0.07 -3.10 0.03 0.00 0.13 0.00 0.00 42.46 39.58 3kc4 s ILE 102 CO -0.02 0.03 0.22 0.00 -1.91 0.00 0.00 174.94 173.27 3kc4 s ALA 103 N -0.73 -0.54 -0.09 1.50 0.00 -1.26 -4.98 121.76 115.66 3kc4 s ALA 103 Ca 0.56 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 3kc4 s ALA 103 Cb -0.46 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.29 3kc4 s ALA 103 CO 0.57 -0.12 0.39 -1.83 0.00 0.00 0.00 175.76 174.77 3kc4 s GLU 104 N 0.33 0.61 0.52 0.00 -1.05 -1.26 -3.12 118.70 114.72 3kc4 s GLU 104 Ca -0.02 0.24 -0.22 0.00 -0.15 0.00 0.00 54.97 54.82 3kc4 s GLU 104 Cb -0.03 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 33.88 3kc4 s GLU 104 CO -0.01 -0.13 1.33 0.08 0.95 0.00 0.00 175.26 177.47 3kc4 s VAL 105 N -0.52 2.28 -0.57 1.83 1.01 -0.07 -4.80 120.40 119.56 3kc4 s VAL 105 Ca -0.06 0.21 0.14 0.00 0.00 0.00 0.00 61.98 62.27 3kc4 s VAL 105 Cb -0.04 -3.11 -0.16 0.00 0.00 0.00 0.00 36.38 33.08 3kc4 s VAL 105 CO 0.03 0.00 0.55 0.54 0.00 0.00 0.00 175.10 176.22 3kc4 n ARG 106 N -0.83 2.22 -4.09 2.72 5.12 -1.26 -3.81 116.66 116.73 3kc4 n ARG 106 Ca 0.09 -0.02 -0.28 0.00 -1.93 0.00 0.00 57.85 55.72 3kc4 n ARG 106 Cb 0.45 -1.17 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 3kc4 n ARG 106 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3kc4 s LYS 107 N -2.38 2.82 0.00 5.56 -2.85 -1.25 -4.87 119.74 116.77 3kc4 s LYS 107 Ca 0.04 -0.85 0.11 0.00 -1.00 0.00 0.00 55.97 54.27 3kc4 s LYS 107 Cb 0.10 -2.63 0.09 0.00 -2.06 0.00 0.00 37.83 33.34 3kc4 s LYS 107 CO 0.57 0.51 0.86 -0.35 0.10 0.00 0.00 175.35 177.03 3kc4 n PRO 108 N -0.06 0.59 0.07 1.78 -0.04 -1.25 -4.56 135.00 131.53 3kc4 n PRO 108 Ca -0.09 -1.18 -0.21 0.00 -0.04 0.00 0.00 63.50 61.98 3kc4 n PRO 108 Cb 0.54 -1.21 -0.14 0.00 -0.04 0.00 0.00 33.50 32.64 3kc4 n PRO 108 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kc4 h GLU 109 N 2.15 0.38 -2.98 0.54 5.08 -1.92 -3.48 114.58 114.34 3kc4 h GLU 109 Ca 0.00 -0.61 0.06 0.00 -1.00 0.00 0.00 59.36 57.81 3kc4 h GLU 109 Cb 0.47 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3kc4 h GLU 109 CO 0.00 1.28 0.25 -0.48 -1.00 0.00 0.00 179.01 179.06 3kc4 s LEU 110 N -7.87 -0.21 0.00 1.33 0.05 -1.26 -4.74 118.68 105.98 3kc4 s LEU 110 Ca -0.12 -0.69 0.00 0.00 0.05 0.00 0.00 54.13 53.37 3kc4 s LEU 110 Cb 0.02 2.73 0.00 0.00 -2.05 0.00 0.00 46.19 46.89 3kc4 s LEU 110 CO 0.86 -1.39 0.00 -0.67 -0.55 0.00 0.00 176.35 174.60 3kc4 n ASP 111 N -0.61 0.00 0.00 1.48 2.03 -1.26 -4.76 116.55 113.42 3kc4 n ASP 111 Ca -0.05 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.92 3kc4 n ASP 111 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 3kc4 n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kc4 n ALA 112 N 0.00 0.00 0.04 -1.67 0.00 -1.26 -4.49 120.51 113.13 3kc4 n ALA 112 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3kc4 n ALA 112 Cb 0.09 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.92 3kc4 n ALA 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kc4 h LYS 113 N 0.00 0.44 -0.80 0.00 3.64 -1.90 0.16 116.57 118.11 3kc4 h LYS 113 Ca 0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3kc4 h LYS 113 Cb 0.00 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3kc4 h LYS 113 CO 0.00 0.41 0.50 1.25 -2.27 0.00 0.00 179.45 179.34 3kc4 h LEU 114 N 0.43 0.81 0.00 5.20 6.46 -1.79 -1.76 115.31 124.66 3kc4 h LEU 114 Ca 0.10 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3kc4 h LEU 114 Cb 0.17 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3kc4 h LEU 114 CO -0.00 0.54 -1.66 1.33 -0.62 0.00 0.00 178.44 178.03 3kc4 n VAL 115 N -4.62 0.15 0.00 1.05 0.24 -1.11 -1.78 118.33 112.25 3kc4 n VAL 115 Ca 0.10 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3kc4 n VAL 115 Cb 0.12 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 3kc4 n VAL 115 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kc4 n ALA 116 N -2.17 0.00 -0.19 2.33 0.00 0.56 -3.66 120.51 117.38 3kc4 n ALA 116 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.61 3kc4 n ALA 116 Cb 0.54 0.10 0.54 0.00 0.00 0.00 0.00 19.45 20.64 3kc4 n ALA 116 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kc4 h ASP 117 N 0.00 0.33 0.21 0.00 3.32 -1.33 -2.15 116.42 116.80 3kc4 h ASP 117 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kc4 h ASP 117 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3kc4 h ASP 117 CO 0.00 0.15 -0.22 0.77 -1.72 0.00 0.00 179.24 178.22 3kc4 h SER 118 N 0.34 -0.58 1.03 6.45 4.64 -1.49 -3.05 113.55 120.89 3kc4 h SER 118 Ca 0.42 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.71 3kc4 h SER 118 Cb 1.11 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3kc4 h SER 118 CO -0.13 -0.32 -0.39 0.40 -0.87 0.00 0.00 176.83 175.53 3kc4 h ILE 119 N -0.46 0.82 0.03 0.95 2.04 -1.46 -0.51 117.51 118.93 3kc4 h ILE 119 Ca -0.00 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 3kc4 h ILE 119 Cb 0.44 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3kc4 h ILE 119 CO -0.05 0.38 -0.01 0.71 0.00 0.00 0.00 178.15 179.17 3kc4 h THR 120 N 0.00 1.33 -0.75 -0.27 1.35 -1.57 -2.98 112.91 110.02 3kc4 h THR 120 Ca -0.00 -1.18 0.18 0.00 -0.55 0.00 0.00 66.41 64.86 3kc4 h THR 120 Cb 1.01 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 69.50 3kc4 h THR 120 CO 0.05 0.30 0.52 0.28 -0.25 0.00 0.00 175.52 176.42 3kc4 h SER 121 N -0.56 0.20 0.69 5.36 0.02 -1.49 -3.37 113.55 114.40 3kc4 h SER 121 Ca -0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3kc4 h SER 121 Cb 0.52 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.04 3kc4 h SER 121 CO 0.01 0.09 -0.34 -0.61 -1.14 0.00 0.00 176.83 174.84 3kc4 h GLN 122 N 0.20 -0.90 -0.23 3.45 4.15 -0.92 -1.81 115.11 119.05 3kc4 h GLN 122 Ca 0.37 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.92 3kc4 h GLN 122 Cb 1.15 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 3kc4 h GLN 122 CO -0.07 -0.60 0.20 1.25 -1.93 0.00 0.00 178.83 177.67 3kc4 h LEU 123 N -0.94 0.00 -0.90 -2.39 5.85 -1.71 -1.93 115.31 113.28 3kc4 h LEU 123 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kc4 h LEU 123 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3kc4 h LEU 123 CO 0.15 0.00 -0.02 -0.62 -0.34 0.00 0.00 178.44 177.61 3kc4 n GLU 124 N -4.13 1.57 0.02 1.25 1.02 -0.70 -2.50 120.64 117.18 3kc4 n GLU 124 Ca 0.03 -0.90 0.12 0.00 -0.02 0.00 0.00 57.16 56.38 3kc4 n GLU 124 Cb 0.34 -1.48 0.16 0.00 -0.02 0.00 0.00 31.44 30.44 3kc4 n GLU 124 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kc4 n ARG 125 N 0.07 0.14 -0.90 3.49 1.74 -0.76 -4.89 116.66 115.55 3kc4 n ARG 125 Ca 0.18 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3kc4 n ARG 125 Cb 0.35 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3kc4 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kc4 n ARG 126 N -1.75 0.00 -3.14 5.56 5.12 -1.04 -5.06 116.66 116.35 3kc4 n ARG 126 Ca 0.04 0.27 -0.32 0.00 -1.93 0.00 0.00 57.85 55.91 3kc4 n ARG 126 Cb 0.38 -3.25 -0.06 0.00 -1.16 0.00 0.00 32.46 28.38 3kc4 n ARG 126 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kc4 s VAL 127 N -2.00 4.72 0.37 1.55 1.01 -1.03 -4.96 120.40 120.07 3kc4 s VAL 127 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 61.98 62.92 3kc4 s VAL 127 Cb 0.00 -3.62 0.31 0.00 0.00 0.00 0.00 36.38 33.07 3kc4 s VAL 127 CO 0.00 -0.21 1.94 -0.03 0.00 0.00 0.00 175.10 176.81 3kc4 h MET 128 N 2.19 0.66 0.00 2.72 4.05 -1.92 -3.31 114.93 119.31 3kc4 h MET 128 Ca -0.48 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 3kc4 h MET 128 Cb 1.17 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3kc4 h MET 128 CO 0.66 0.43 0.00 0.34 0.23 0.00 0.00 176.91 178.57 3kc4 n PHE 129 N -4.49 0.00 0.06 1.39 7.35 -1.26 -4.63 117.46 115.87 3kc4 n PHE 129 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 3kc4 n PHE 129 Cb 0.31 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.08 3kc4 n PHE 129 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 3kc4 h ARG 130 N 0.00 -0.41 0.00 -4.13 9.65 -1.99 -0.27 114.38 117.23 3kc4 h ARG 130 Ca 0.00 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 3kc4 h ARG 130 Cb 0.00 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3kc4 h ARG 130 CO 0.00 -0.27 -0.42 0.00 2.80 0.00 0.00 179.97 182.08 3kc4 h ARG 131 N -0.43 0.00 0.59 0.20 2.47 -1.99 -2.06 114.38 113.16 3kc4 h ARG 131 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3kc4 h ARG 131 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 3kc4 h ARG 131 CO -0.18 0.42 -0.50 0.00 0.56 0.00 0.00 179.97 180.27 3kc4 h ALA 132 N 1.58 -1.18 -0.98 0.04 0.00 -1.82 -0.85 119.26 116.06 3kc4 h ALA 132 Ca -0.00 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.86 3kc4 h ALA 132 Cb 1.13 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 3kc4 h ALA 132 CO 0.05 -1.20 0.59 1.98 0.00 0.00 0.00 179.25 180.67 3kc4 h MET 133 N -1.07 0.78 -0.03 0.00 1.85 -0.96 -0.52 114.93 114.97 3kc4 h MET 133 Ca -0.08 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3kc4 h MET 133 Cb 0.91 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 32.76 3kc4 h MET 133 CO -0.01 0.52 0.01 0.87 -0.40 0.00 0.00 176.91 177.89 3kc4 h LYS 134 N 0.81 0.05 -0.62 0.39 1.57 -1.01 -2.17 116.57 115.58 3kc4 h LYS 134 Ca 0.54 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.24 3kc4 h LYS 134 Cb 0.75 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3kc4 h LYS 134 CO -0.35 0.25 0.11 0.00 -0.57 0.00 0.00 179.45 178.90 3kc4 h ARG 135 N -0.16 1.02 0.00 3.15 3.08 -0.92 -2.19 114.38 118.37 3kc4 h ARG 135 Ca 0.01 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3kc4 h ARG 135 Cb 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kc4 h ARG 135 CO -0.00 0.95 0.00 0.00 -1.07 0.00 0.00 179.97 179.85 3kc4 n ALA 136 N -2.44 2.20 -0.04 0.04 0.00 -0.22 -1.76 120.51 118.28 3kc4 n ALA 136 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kc4 n ALA 136 Cb 0.27 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 3kc4 n ALA 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kc4 n VAL 137 N -1.24 0.55 -0.05 0.00 0.31 -0.82 -2.71 118.33 114.36 3kc4 n VAL 137 Ca 0.12 -0.53 -0.08 0.00 -0.01 0.00 0.00 64.34 63.84 3kc4 n VAL 137 Cb 0.17 -0.24 0.08 0.00 -0.91 0.00 0.00 33.84 32.94 3kc4 n VAL 137 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3kc4 h GLN 138 N 0.00 0.68 0.62 5.55 4.20 -0.72 0.60 115.11 126.04 3kc4 h GLN 138 Ca -0.22 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.14 3kc4 h GLN 138 Cb 1.38 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 3kc4 h GLN 138 CO 0.01 0.92 -0.36 -0.91 -0.67 0.00 0.00 178.83 177.82 3kc4 h ASN 139 N 0.57 -0.91 -0.23 1.46 2.35 -1.65 -3.33 115.58 113.84 3kc4 h ASN 139 Ca 0.06 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3kc4 h ASN 139 Cb 0.86 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3kc4 h ASN 139 CO 0.07 -0.57 0.22 0.00 -1.65 0.00 0.00 177.43 175.50 3kc4 h ALA 140 N -1.40 1.98 0.00 -0.83 0.00 -1.31 -2.90 119.26 114.80 3kc4 h ALA 140 Ca -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kc4 h ALA 140 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kc4 h ALA 140 CO 0.09 -0.34 -0.83 0.00 0.00 0.00 0.00 179.25 178.18 3kc4 h MET 141 N 0.00 0.00 0.39 0.00 -0.00 -0.99 -2.97 114.93 111.37 3kc4 h MET 141 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.79 3kc4 h MET 141 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 3kc4 h MET 141 CO -0.00 0.12 -0.19 0.00 -0.00 0.00 0.00 176.91 176.84 3kc4 h ARG 142 N 0.00 -0.51 -4.91 -0.10 3.08 -1.63 -3.35 114.38 106.96 3kc4 h ARG 142 Ca -0.03 0.03 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3kc4 h ARG 142 Cb 1.17 0.12 -0.31 0.00 0.08 0.00 0.00 29.97 31.02 3kc4 h ARG 142 CO 0.02 -0.29 -0.74 -0.51 -1.07 0.00 0.00 179.97 177.38 3kc4 s LEU 143 N -9.94 3.20 0.00 3.04 1.43 -1.12 -4.29 118.68 111.00 3kc4 s LEU 143 Ca -0.16 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 3kc4 s LEU 143 Cb 0.04 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3kc4 s LEU 143 CO 0.61 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.68 3kc4 n GLY 144 N 4.69 0.73 3.34 -3.19 0.00 -1.26 -4.69 105.19 104.81 3kc4 n GLY 144 Ca -0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3kc4 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 s ALA 145 N -2.00 -0.89 -0.35 4.61 0.00 -1.26 -4.75 121.76 117.12 3kc4 s ALA 145 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 51.96 51.98 3kc4 s ALA 145 Cb 0.00 0.72 0.45 0.00 0.00 0.00 0.00 23.12 24.29 3kc4 s ALA 145 CO 0.00 -0.66 1.09 1.63 0.00 0.00 0.00 175.76 177.81 3kc4 n LYS 146 N -0.24 2.60 0.00 0.00 5.02 -0.07 -4.62 118.16 120.85 3kc4 n LYS 146 Ca -0.15 -3.94 0.00 0.00 -2.02 0.00 0.00 58.31 52.20 3kc4 n LYS 146 Cb 0.64 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3kc4 n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kc4 n GLY 147 N -0.44 2.33 3.17 0.72 0.00 -1.25 -4.52 105.19 105.19 3kc4 n GLY 147 Ca 0.27 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 3kc4 n GLY 147 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc4 s ILE 148 N -0.54 1.13 -0.12 -0.61 2.07 -1.11 -1.42 121.20 120.60 3kc4 s ILE 148 Ca 0.00 -1.26 -0.04 0.00 -1.41 0.00 0.00 60.65 57.94 3kc4 s ILE 148 Cb 0.00 -1.07 0.06 0.00 0.13 0.00 0.00 42.46 41.57 3kc4 s ILE 148 CO 0.00 -0.18 0.13 -0.75 -1.91 0.00 0.00 174.94 172.23 3kc4 s LYS 149 N -1.64 0.05 0.14 3.50 2.20 -0.97 -2.26 119.74 120.75 3kc4 s LYS 149 Ca -0.01 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 3kc4 s LYS 149 Cb -0.10 -0.91 -0.04 0.00 -1.51 0.00 0.00 37.83 35.28 3kc4 s LYS 149 CO 0.02 -0.47 0.27 0.14 -0.36 0.00 0.00 175.35 174.94 3kc4 s VAL 150 N 2.24 5.29 -0.04 4.02 -7.23 -0.14 -1.54 120.40 123.00 3kc4 s VAL 150 Ca 0.04 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3kc4 s VAL 150 Cb -0.14 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.12 3kc4 s VAL 150 CO -0.07 -0.06 0.09 -0.70 -0.31 0.00 0.00 175.10 174.04 3kc4 s GLU 151 N -3.13 0.07 -0.19 4.82 2.12 -0.18 -1.37 118.70 120.84 3kc4 s GLU 151 Ca 0.34 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.83 3kc4 s GLU 151 Cb -0.11 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 3kc4 s GLU 151 CO 0.28 -0.07 -0.09 0.14 -0.54 0.00 0.00 175.26 174.98 3kc4 s VAL 152 N 0.44 3.09 -0.25 3.70 -7.23 -0.80 -0.83 120.40 118.53 3kc4 s VAL 152 Ca -0.03 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 3kc4 s VAL 152 Cb -0.05 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.59 3kc4 s VAL 152 CO -0.02 0.47 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.69 3kc4 s SER 153 N 1.08 4.32 0.00 4.85 0.01 -0.83 -2.90 113.70 120.23 3kc4 s SER 153 Ca 0.00 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 55.94 3kc4 s SER 153 Cb -0.15 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.54 3kc4 s SER 153 CO -0.02 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3kc4 n GLY 154 N 4.45 -1.51 2.46 3.44 0.00 -0.14 -1.14 105.19 112.74 3kc4 n GLY 154 Ca -0.15 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 3kc4 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 n ARG 155 N 1.00 -2.01 -1.72 1.61 1.74 -1.18 -3.18 116.66 112.91 3kc4 n ARG 155 Ca 0.00 1.01 -0.40 0.00 -0.77 0.00 0.00 57.85 57.69 3kc4 n ARG 155 Cb 0.00 -5.70 0.03 0.00 -1.02 0.00 0.00 32.46 25.77 3kc4 n ARG 155 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kc4 n LEU 156 N -3.12 4.73 0.00 0.55 4.77 -1.26 -1.77 117.00 120.90 3kc4 n LEU 156 Ca -0.24 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 3kc4 n LEU 156 Cb 0.68 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 3kc4 n LEU 156 CO 0.31 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 3kc4 n GLY 157 N 0.77 0.38 1.95 -0.72 0.00 -1.26 -1.52 105.19 104.80 3kc4 n GLY 157 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kc4 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 158 N -1.53 1.06 3.75 -0.02 0.00 -0.73 -5.00 105.19 102.72 3kc4 n GLY 158 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3kc4 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 s ALA 159 N -3.17 2.76 0.16 4.61 0.00 -0.57 -3.22 121.76 122.32 3kc4 s ALA 159 Ca 0.00 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 3kc4 s ALA 159 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.61 3kc4 s ALA 159 CO 0.00 -1.36 1.75 0.93 0.00 0.00 0.00 175.76 177.08 3kc4 h GLU 160 N 1.35 0.70 -6.83 0.00 4.39 -1.88 -3.39 114.58 108.91 3kc4 h GLU 160 Ca -0.51 -0.09 -0.53 0.00 0.34 0.00 0.00 59.36 58.57 3kc4 h GLU 160 Cb 1.30 -0.13 0.08 0.00 -0.10 0.00 0.00 28.75 29.90 3kc4 h GLU 160 CO 0.57 0.56 0.80 0.96 -1.16 0.00 0.00 179.01 180.74 3kc4 s ILE 161 N -5.80 2.28 0.44 3.13 -4.36 -1.26 -4.79 121.20 110.84 3kc4 s ILE 161 Ca -0.13 0.25 -0.24 0.00 -0.26 0.00 0.00 60.65 60.27 3kc4 s ILE 161 Cb 0.12 -3.16 -0.08 0.00 1.25 0.00 0.00 42.46 40.59 3kc4 s ILE 161 CO 0.76 0.05 1.24 0.00 0.24 0.00 0.00 174.94 177.22 3kc4 s ALA 162 N -0.40 3.09 -0.10 2.27 0.00 -1.26 -3.12 121.76 122.24 3kc4 s ALA 162 Ca 0.58 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 3kc4 s ALA 162 Cb -0.45 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.25 3kc4 s ALA 162 CO 0.51 -0.78 0.25 1.03 0.00 0.00 0.00 175.76 176.77 3kc4 s ARG 163 N -2.48 0.29 -0.23 0.00 0.52 -1.26 -4.71 118.95 111.07 3kc4 s ARG 163 Ca 0.61 0.36 -0.09 0.00 -0.52 0.00 0.00 55.73 56.09 3kc4 s ARG 163 Cb -0.34 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.21 3kc4 s ARG 163 CO 0.42 -0.05 0.12 0.99 0.02 0.00 0.00 175.30 176.80 3kc4 s THR 164 N 0.23 4.94 -0.10 0.02 2.01 -1.26 -0.97 115.64 120.51 3kc4 s THR 164 Ca -0.01 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 3kc4 s THR 164 Cb -0.02 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.23 3kc4 s THR 164 CO -0.00 0.36 0.37 -0.70 -0.69 0.00 0.00 174.62 173.95 3kc4 s GLU 165 N 1.12 0.53 -0.01 4.92 2.12 -1.14 -5.06 118.70 121.19 3kc4 s GLU 165 Ca 0.06 0.30 -0.21 0.00 0.36 0.00 0.00 54.97 55.48 3kc4 s GLU 165 Cb -0.14 0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.54 3kc4 s GLU 165 CO 0.04 -0.10 0.47 1.67 -0.54 0.00 0.00 175.26 176.80 3kc4 s TRP 166 N -0.31 -0.37 -0.06 5.30 -2.14 -1.26 -1.91 118.94 118.19 3kc4 s TRP 166 Ca -0.05 0.54 -0.00 0.00 2.66 0.00 0.00 56.10 59.26 3kc4 s TRP 166 Cb -0.03 0.25 0.03 0.00 -3.10 0.00 0.00 33.47 30.61 3kc4 s TRP 166 CO 0.02 -0.52 -0.01 -0.47 -2.66 0.00 0.00 176.95 173.30 3kc4 s TYR 167 N -1.65 0.65 0.38 1.66 5.04 -0.47 -4.97 117.35 117.99 3kc4 s TYR 167 Ca -0.10 -0.16 0.05 0.00 -2.44 0.00 0.00 57.07 54.42 3kc4 s TYR 167 Cb -0.02 -0.71 -0.07 0.00 0.35 0.00 0.00 41.96 41.51 3kc4 s TYR 167 CO 0.04 -0.26 0.03 0.50 -1.34 0.00 0.00 175.55 174.52 3kc4 s ARG 168 N 1.50 1.86 -0.30 4.97 3.52 -1.26 -0.97 118.95 128.27 3kc4 s ARG 168 Ca -0.02 -2.05 -0.14 0.00 -0.13 0.00 0.00 55.73 53.38 3kc4 s ARG 168 Cb -0.13 -1.33 0.16 0.00 -1.56 0.00 0.00 34.95 32.09 3kc4 s ARG 168 CO -0.03 -0.12 0.94 -2.00 -0.81 0.00 0.00 175.30 173.28 3kc4 s GLU 169 N -3.78 0.33 0.00 5.12 2.12 -0.96 -4.98 118.70 116.54 3kc4 s GLU 169 Ca 0.34 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.48 3kc4 s GLU 169 Cb 0.09 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.97 3kc4 s GLU 169 CO 0.16 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 3kc4 n GLY 170 N 5.06 0.62 3.48 -1.50 0.00 -1.26 -2.73 105.19 108.86 3kc4 n GLY 170 Ca -0.09 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 3kc4 n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kc4 s ARG 171 N 0.00 1.03 -0.24 1.61 1.70 -1.26 -5.04 118.95 116.76 3kc4 s ARG 171 Ca 0.00 -0.21 -0.03 0.00 -0.47 0.00 0.00 55.73 55.02 3kc4 s ARG 171 Cb 0.00 0.48 0.11 0.00 -0.57 0.00 0.00 34.95 34.97 3kc4 s ARG 171 CO 0.00 -0.42 0.24 0.08 -1.08 0.00 0.00 175.30 174.12 3kc4 s VAL 172 N -2.79 -0.34 0.23 4.99 1.01 -1.26 -4.44 120.40 117.81 3kc4 s VAL 172 Ca -0.01 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3kc4 s VAL 172 Cb -0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 3kc4 s VAL 172 CO -0.06 -0.32 1.09 -2.16 0.00 0.00 0.00 175.10 173.66 3kc4 s PRO 173 N 2.32 4.63 0.00 2.72 0.04 -1.26 -4.93 135.00 138.53 3kc4 s PRO 173 Ca 0.08 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3kc4 s PRO 173 Cb -0.15 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3kc4 s PRO 173 CO -0.20 0.17 0.00 1.47 0.04 0.00 0.00 177.00 178.48 3kc4 n LEU 174 N 1.72 0.00 0.08 -3.56 -0.00 -1.26 -4.74 117.00 109.25 3kc4 n LEU 174 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.13 3kc4 n LEU 174 Cb 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.88 3kc4 n LEU 174 CO 0.54 0.00 -0.01 1.41 -0.00 0.00 0.00 177.39 179.33 3kc4 n HIS 175 N -0.48 0.77 -1.89 1.47 8.25 -1.26 -4.76 115.22 117.32 3kc4 n HIS 175 Ca 0.00 0.22 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 3kc4 n HIS 175 Cb 0.03 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.29 3kc4 n HIS 175 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kc4 s THR 176 N -3.34 2.36 -0.96 1.59 -4.23 -1.26 -4.93 115.64 104.87 3kc4 s THR 176 Ca 0.00 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 3kc4 s THR 176 Cb 0.11 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 71.05 3kc4 s THR 176 CO 0.79 0.05 1.29 0.18 -0.54 0.00 0.00 174.62 176.39 3kc4 n LEU 177 N 2.43 5.74 -2.71 4.79 4.77 -1.26 -4.55 117.00 126.20 3kc4 n LEU 177 Ca 0.08 -5.28 -0.05 0.00 -0.03 0.00 0.00 56.01 50.73 3kc4 n LEU 177 Cb 0.39 -1.11 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 3kc4 n LEU 177 CO 0.62 1.80 0.35 -1.14 -1.33 0.00 0.00 177.39 177.69 3kc4 n ARG 178 N 1.17 0.40 0.00 3.23 3.00 -1.26 -5.01 116.66 118.19 3kc4 n ARG 178 Ca 0.27 -1.33 0.00 0.00 -0.00 0.00 0.00 57.85 56.79 3kc4 n ARG 178 Cb 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 32.02 3kc4 n ARG 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kc4 n ALA 179 N 2.13 0.00 -3.59 5.13 0.00 -1.26 -4.82 120.51 118.11 3kc4 n ALA 179 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 3kc4 n ALA 179 Cb 0.64 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.13 3kc4 n ALA 179 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kc4 n ASP 180 N 0.00 -4.93 -4.56 0.00 10.43 -1.26 -3.86 116.55 112.38 3kc4 n ASP 180 Ca 0.00 -0.92 -0.42 0.00 2.57 0.00 0.00 54.79 56.02 3kc4 n ASP 180 Cb 0.00 -3.91 -0.06 0.00 1.84 0.00 0.00 41.12 38.99 3kc4 n ASP 180 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kc4 s ILE 181 N -3.49 4.81 0.44 0.53 -1.09 -1.26 -4.39 121.20 116.75 3kc4 s ILE 181 Ca 0.39 0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 59.27 3kc4 s ILE 181 Cb -0.12 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3kc4 s ILE 181 CO 0.83 -0.46 0.75 -1.81 -1.23 0.00 0.00 174.94 173.02 3kc4 s ASP 182 N 1.90 6.34 -0.29 3.58 1.11 -1.26 -3.53 116.67 124.52 3kc4 s ASP 182 Ca 0.26 0.94 -0.17 0.00 0.18 0.00 0.00 52.55 53.76 3kc4 s ASP 182 Cb -0.14 -2.25 0.15 0.00 1.07 0.00 0.00 42.92 41.75 3kc4 s ASP 182 CO 0.17 -0.49 1.02 -0.47 1.18 0.00 0.00 175.17 176.58 3kc4 s TYR 183 N -2.58 -0.49 0.17 4.23 5.04 -1.26 -3.63 117.35 118.83 3kc4 s TYR 183 Ca 0.48 1.02 -0.06 0.00 -2.44 0.00 0.00 57.07 56.07 3kc4 s TYR 183 Cb -0.10 0.32 -0.02 0.00 0.35 0.00 0.00 41.96 42.50 3kc4 s TYR 183 CO 0.40 -0.24 0.21 -0.80 -1.34 0.00 0.00 175.55 173.77 3kc4 s ASN 184 N 1.14 0.13 0.16 4.32 -0.87 -1.21 -4.92 114.94 113.69 3kc4 s ASN 184 Ca -0.07 -1.07 0.06 0.00 -1.57 0.00 0.00 52.86 50.21 3kc4 s ASN 184 Cb -0.04 0.40 -0.04 0.00 -0.02 0.00 0.00 41.25 41.55 3kc4 s ASN 184 CO -0.13 -0.86 -0.12 0.42 -2.57 0.00 0.00 177.10 173.84 3kc4 s THR 185 N -4.03 1.40 0.37 1.60 -4.23 -1.26 -2.72 115.64 106.77 3kc4 s THR 185 Ca 0.24 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.59 3kc4 s THR 185 Cb 0.05 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 72.05 3kc4 s THR 185 CO 0.03 -0.65 0.64 -0.44 -0.54 0.00 0.00 174.62 173.67 3kc4 s SER 186 N -3.12 0.52 0.22 3.99 0.01 -0.58 -4.93 113.70 109.81 3kc4 s SER 186 Ca 0.18 -1.36 -0.15 0.00 1.31 0.00 0.00 55.95 55.93 3kc4 s SER 186 Cb 0.00 0.77 0.01 0.00 0.21 0.00 0.00 66.02 67.01 3kc4 s SER 186 CO 0.03 -1.52 0.49 -1.83 0.41 0.00 0.00 173.24 170.83 3kc4 s GLU 187 N -2.58 1.45 0.24 12.44 1.03 -1.25 -2.44 118.70 127.58 3kc4 s GLU 187 Ca 0.23 -1.05 -0.04 0.00 0.03 0.00 0.00 54.97 54.14 3kc4 s GLU 187 Cb -0.03 0.49 -0.03 0.00 -0.80 0.00 0.00 34.13 33.77 3kc4 s GLU 187 CO 0.17 -0.60 0.27 0.00 -1.33 0.00 0.00 175.26 173.77 3kc4 s ALA 188 N -3.94 0.81 -0.34 -0.84 0.00 0.60 -4.83 121.76 113.22 3kc4 s ALA 188 Ca 0.15 -1.49 0.13 0.00 0.00 0.00 0.00 51.96 50.75 3kc4 s ALA 188 Cb -0.01 1.29 0.41 0.00 0.00 0.00 0.00 23.12 24.81 3kc4 s ALA 188 CO 0.03 -0.69 1.53 0.72 0.00 0.00 0.00 175.76 177.34 3kc4 n HIS 189 N -0.36 -1.96 -0.96 0.00 8.25 -1.25 -2.92 115.22 116.02 3kc4 n HIS 189 Ca 0.01 -1.74 -0.36 0.00 -0.26 0.00 0.00 57.72 55.38 3kc4 n HIS 189 Cb 0.64 1.50 0.06 0.00 1.12 0.00 0.00 29.99 33.31 3kc4 n HIS 189 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kc4 n THR 190 N -1.49 0.00 0.29 1.59 -1.04 -1.01 -4.85 114.28 107.76 3kc4 n THR 190 Ca -0.17 -0.41 0.15 0.00 -2.04 0.00 0.00 64.05 61.58 3kc4 n THR 190 Cb 0.88 -0.13 0.90 0.00 -1.82 0.00 0.00 70.33 70.16 3kc4 n THR 190 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3kc4 h THR 191 N -1.12 0.53 -3.32 12.58 2.02 -2.01 -3.10 112.91 118.48 3kc4 h THR 191 Ca -0.44 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.37 3kc4 h THR 191 Cb 1.30 0.98 -0.38 0.00 -1.74 0.00 0.00 68.15 68.31 3kc4 h THR 191 CO 0.25 0.00 -0.74 -0.31 0.37 0.00 0.00 175.52 175.09 3kc4 s TYR 192 N -4.64 0.16 0.00 3.16 2.02 -1.26 -5.13 117.35 111.66 3kc4 s TYR 192 Ca -0.05 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 3kc4 s TYR 192 Cb 0.15 -0.51 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 3kc4 s TYR 192 CO 0.55 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.74 3kc4 n GLY 193 N 5.16 4.40 2.44 0.71 0.00 -1.18 -4.13 105.19 112.59 3kc4 n GLY 193 Ca -0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 3kc4 n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kc4 n VAL 194 N -1.68 0.65 -1.69 1.61 0.31 -1.25 -2.42 118.33 113.86 3kc4 n VAL 194 Ca 0.00 -4.07 -0.42 0.00 -0.01 0.00 0.00 64.34 59.84 3kc4 n VAL 194 Cb 0.00 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.88 3kc4 n VAL 194 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kc4 s ILE 195 N -3.02 3.09 0.53 2.52 -1.09 -1.15 -4.45 121.20 117.63 3kc4 s ILE 195 Ca 0.36 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.92 3kc4 s ILE 195 Cb 0.39 -3.08 0.04 0.00 -1.58 0.00 0.00 42.46 38.23 3kc4 s ILE 195 CO -0.04 -0.03 0.73 -0.83 -1.23 0.00 0.00 174.94 173.54 3kc4 s GLY 196 N 5.89 1.85 -0.04 6.18 0.00 -0.30 -0.29 107.32 120.61 3kc4 s GLY 196 Ca 0.91 -1.57 -0.21 0.00 0.00 0.00 0.00 44.72 43.86 3kc4 s GLY 196 CO 0.38 -1.27 0.46 0.54 0.00 0.00 0.00 173.10 173.21 3kc4 s VAL 197 N -2.65 0.03 -0.18 1.40 0.11 -1.02 -1.97 120.40 116.11 3kc4 s VAL 197 Ca 0.58 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.26 3kc4 s VAL 197 Cb -0.09 -0.76 0.06 0.00 -1.53 0.00 0.00 36.38 34.06 3kc4 s VAL 197 CO 0.37 -0.14 0.46 -0.54 -3.33 0.00 0.00 175.10 171.92 3kc4 s LYS 198 N -1.12 0.46 -0.07 1.54 1.02 -0.01 -1.53 119.74 120.04 3kc4 s LYS 198 Ca -0.11 0.81 0.02 0.00 0.02 0.00 0.00 55.97 56.71 3kc4 s LYS 198 Cb -0.03 0.05 0.01 0.00 -0.52 0.00 0.00 37.83 37.35 3kc4 s LYS 198 CO 0.06 -0.14 -0.12 0.08 -0.92 0.00 0.00 175.35 174.31 3kc4 s VAL 199 N 1.20 1.12 -0.22 3.17 1.01 -1.10 -1.01 120.40 124.56 3kc4 s VAL 199 Ca -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3kc4 s VAL 199 Cb -0.07 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.34 3kc4 s VAL 199 CO -0.11 0.35 -0.00 0.26 0.00 0.00 0.00 175.10 175.60 3kc4 s TRP 200 N 0.73 1.66 -0.07 5.22 0.51 -0.59 -3.32 118.94 123.08 3kc4 s TRP 200 Ca -0.13 -1.29 0.03 0.00 -2.12 0.00 0.00 56.10 52.59 3kc4 s TRP 200 Cb -0.16 -1.29 -0.02 0.00 -0.81 0.00 0.00 33.47 31.19 3kc4 s TRP 200 CO 0.03 -0.69 -0.14 0.42 -0.51 0.00 0.00 176.95 176.05 3kc4 s ILE 201 N 1.64 3.02 -1.00 2.03 1.01 -1.24 -2.30 121.20 124.36 3kc4 s ILE 201 Ca -0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3kc4 s ILE 201 Cb -0.18 -2.20 0.25 0.00 0.01 0.00 0.00 42.46 40.34 3kc4 s ILE 201 CO -0.07 0.57 0.97 0.12 0.00 0.00 0.00 174.94 176.53 3kc4 s PHE 202 N -0.45 4.08 -0.06 3.97 5.36 -0.51 -4.08 117.98 126.30 3kc4 s PHE 202 Ca 0.05 -2.58 0.02 0.00 -0.96 0.00 0.00 56.93 53.47 3kc4 s PHE 202 Cb -0.12 -3.74 0.01 0.00 -0.34 0.00 0.00 43.02 38.83 3kc4 s PHE 202 CO 0.02 -0.93 -0.11 -1.59 -1.46 0.00 0.00 175.22 171.15 3kc4 s LYS 203 N -0.91 1.48 0.47 10.12 -2.85 -1.25 -0.89 119.74 125.91 3kc4 s LYS 203 Ca 0.27 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 3kc4 s LYS 203 Cb -0.10 -1.26 0.00 0.00 -2.06 0.00 0.00 37.83 34.41 3kc4 s LYS 203 CO -0.09 0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.81 3kc4 n GLY 204 N 3.74 -1.83 0.00 0.59 0.00 -1.26 -4.48 105.19 101.95 3kc4 n GLY 204 Ca -0.23 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3kc4 n GLY 204 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kc4 n GLU 205 N -4.06 0.00 0.00 1.61 0.28 -1.26 -4.00 120.64 113.21 3kc4 n GLU 205 Ca 0.01 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.16 3kc4 n GLU 205 Cb 0.61 0.00 0.86 0.00 1.43 0.00 0.00 31.44 34.34 3kc4 n GLU 205 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48