#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n ARG 3 N 0.00 2.33 -5.23 -0.14 1.74 -1.26 -4.91 116.66 109.19 3kc4 n ARG 3 Ca 0.00 -1.94 -0.32 0.00 -0.77 0.00 0.00 57.85 54.82 3kc4 n ARG 3 Cb 0.00 -1.47 -0.17 0.00 -1.02 0.00 0.00 32.46 29.80 3kc4 n ARG 3 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3kc4 s ARG 4 N -1.93 2.84 0.00 5.56 3.52 -1.26 -5.01 118.95 122.68 3kc4 s ARG 4 Ca 0.30 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 3kc4 s ARG 4 Cb 0.20 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 3kc4 s ARG 4 CO 0.30 0.27 0.45 1.33 -0.81 0.00 0.00 175.30 176.84 3kc4 n VAL 5 N 3.28 0.00 -3.74 7.11 0.24 -1.26 -5.03 118.33 118.92 3kc4 n VAL 5 Ca -0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 3kc4 n VAL 5 Cb 0.53 0.99 -0.14 0.00 -1.47 0.00 0.00 33.84 33.74 3kc4 n VAL 5 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3kc4 s ILE 6 N 0.00 -0.04 0.00 1.34 -4.36 -1.26 -5.17 121.20 111.71 3kc4 s ILE 6 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 3kc4 s ILE 6 Cb 0.00 -0.30 0.00 0.00 1.25 0.00 0.00 42.46 43.41 3kc4 s ILE 6 CO 0.00 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.85 3kc4 n GLY 7 N 4.12 -0.95 7.00 6.27 0.00 -1.26 -5.00 105.19 115.38 3kc4 n GLY 7 Ca -0.25 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3kc4 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kc4 n GLN 8 N -0.07 0.00 0.00 1.61 6.02 -1.26 -4.81 117.38 118.87 3kc4 n GLN 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kc4 n GLN 8 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3kc4 n GLN 8 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3kc4 n ARG 9 N 0.00 0.00 0.00 -1.09 3.00 -1.26 -5.15 116.66 112.16 3kc4 n ARG 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3kc4 n ARG 9 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 32.46 31.69 3kc4 n ARG 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kc4 n LYS 10 N -2.23 0.00 -3.81 -0.14 2.85 -1.26 -5.19 118.16 108.37 3kc4 n LYS 10 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 3kc4 n LYS 10 Cb 0.33 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.61 3kc4 n LYS 10 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 3kc4 s ILE 11 N -2.00 0.07 0.01 0.58 1.10 -1.26 -5.17 121.20 114.53 3kc4 s ILE 11 Ca 0.00 -0.55 -0.07 0.00 -0.51 0.00 0.00 60.65 59.52 3kc4 s ILE 11 Cb 0.00 -0.52 -0.00 0.00 0.15 0.00 0.00 42.46 42.09 3kc4 s ILE 11 CO 0.00 -0.30 0.13 -0.76 -2.11 0.00 0.00 174.94 171.89 3kc4 s LEU 12 N -1.28 1.62 0.55 8.50 1.43 -1.26 -5.18 118.68 123.05 3kc4 s LEU 12 Ca -0.13 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3kc4 s LEU 12 Cb -0.06 0.65 0.04 0.00 0.03 0.00 0.00 46.19 46.85 3kc4 s LEU 12 CO 0.03 -0.41 0.77 -2.16 0.23 0.00 0.00 176.35 174.81 3kc4 s PRO 13 N -1.70 2.51 0.41 1.29 0.04 -1.26 -4.63 135.00 131.66 3kc4 s PRO 13 Ca -0.12 -0.87 -0.25 0.00 0.04 0.00 0.00 61.00 59.80 3kc4 s PRO 13 Cb -0.06 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.89 3kc4 s PRO 13 CO -0.00 -0.72 1.23 0.34 0.04 0.00 0.00 177.00 177.89 3kc4 s ASP 14 N -4.44 6.36 -0.09 6.66 2.15 -1.04 -4.82 116.67 121.45 3kc4 s ASP 14 Ca 0.58 2.47 0.10 0.00 0.43 0.00 0.00 52.55 56.13 3kc4 s ASP 14 Cb -0.10 -2.62 -0.24 0.00 -0.30 0.00 0.00 42.92 39.66 3kc4 s ASP 14 CO 0.38 -0.80 0.50 -2.65 -0.17 0.00 0.00 175.17 172.43 3kc4 n PRO 15 N -0.00 0.66 -0.12 4.34 -0.02 -1.26 -2.45 135.00 136.15 3kc4 n PRO 15 Ca 0.05 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3kc4 n PRO 15 Cb 0.45 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 3kc4 n PRO 15 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kc4 h LYS 16 N 0.01 0.88 0.00 -0.52 3.64 -2.00 -3.45 116.57 115.12 3kc4 h LYS 16 Ca -0.36 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 3kc4 h LYS 16 Cb 2.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 3kc4 h LYS 16 CO 0.07 1.09 0.00 1.19 -2.27 0.00 0.00 179.45 179.52 3kc4 n PHE 17 N -4.14 0.00 -0.28 1.91 3.72 -1.23 -5.09 117.46 112.35 3kc4 n PHE 17 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3kc4 n PHE 17 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3kc4 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kc4 n GLY 18 N 5.00 0.25 3.63 1.37 0.00 -1.02 -4.67 105.19 109.74 3kc4 n GLY 18 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3kc4 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kc4 s SER 19 N 0.00 6.49 0.34 1.61 0.15 -1.26 -3.70 113.70 117.32 3kc4 s SER 19 Ca 0.00 1.47 0.04 0.00 0.70 0.00 0.00 55.95 58.15 3kc4 s SER 19 Cb 0.00 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.43 3kc4 s SER 19 CO 0.00 -1.19 1.95 -0.33 1.20 0.00 0.00 173.24 174.87 3kc4 h GLU 20 N 10.20 0.84 -0.25 5.44 5.08 -1.90 -2.22 114.58 131.77 3kc4 h GLU 20 Ca -0.31 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 3kc4 h GLU 20 Cb 1.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3kc4 h GLU 20 CO 1.01 0.56 -0.14 -0.07 -1.00 0.00 0.00 179.01 179.37 3kc4 h LEU 21 N 0.87 0.56 -1.95 1.33 3.38 -1.91 0.06 115.31 117.63 3kc4 h LEU 21 Ca 0.33 -0.42 0.25 0.00 0.09 0.00 0.00 57.88 58.12 3kc4 h LEU 21 Cb 0.18 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3kc4 h LEU 21 CO -0.11 0.86 0.67 0.25 0.09 0.00 0.00 178.44 180.20 3kc4 h LEU 22 N 0.26 0.00 0.11 1.67 5.85 -1.93 -1.42 115.31 119.85 3kc4 h LEU 22 Ca 0.05 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.46 3kc4 h LEU 22 Cb 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3kc4 h LEU 22 CO 0.04 0.00 -1.63 0.00 -0.34 0.00 0.00 178.44 176.51 3kc4 h ALA 23 N 1.47 0.35 0.00 1.25 0.00 -0.76 -3.25 119.26 118.32 3kc4 h ALA 23 Ca 0.41 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3kc4 h ALA 23 Cb 1.74 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3kc4 h ALA 23 CO -0.00 1.22 0.00 1.17 0.00 0.00 0.00 179.25 181.63 3kc4 n LYS 24 N -3.41 0.04 -0.01 0.00 4.81 -0.06 -2.26 118.16 117.27 3kc4 n LYS 24 Ca -0.19 0.46 0.11 0.00 -0.87 0.00 0.00 58.31 57.82 3kc4 n LYS 24 Cb 1.05 -1.62 -0.16 0.00 0.02 0.00 0.00 35.03 34.32 3kc4 n LYS 24 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3kc4 n PHE 25 N -1.70 0.00 0.07 5.64 7.35 -0.85 -2.36 117.46 125.61 3kc4 n PHE 25 Ca 0.01 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.56 3kc4 n PHE 25 Cb 0.06 -0.46 -0.14 0.00 0.35 0.00 0.00 39.48 39.30 3kc4 n PHE 25 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 3kc4 h VAL 26 N 0.00 1.38 -0.89 -2.13 -1.51 -1.51 -1.19 116.25 110.39 3kc4 h VAL 26 Ca 0.00 -3.03 -0.00 0.00 -1.23 0.00 0.00 66.70 62.44 3kc4 h VAL 26 Cb 0.94 2.81 -0.04 0.00 -2.13 0.00 0.00 31.29 32.88 3kc4 h VAL 26 CO 0.00 0.85 0.54 0.78 -1.23 0.00 0.00 177.57 178.51 3kc4 h ASN 27 N 0.05 1.06 -0.16 4.19 2.35 -1.52 0.12 115.58 121.66 3kc4 h ASN 27 Ca -0.16 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.32 3kc4 h ASN 27 Cb 1.94 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 40.05 3kc4 h ASN 27 CO 0.16 0.81 -0.71 0.40 -1.65 0.00 0.00 177.43 176.44 3kc4 h ILE 28 N 1.22 1.28 -0.39 2.81 2.04 -1.46 -3.22 117.51 119.79 3kc4 h ILE 28 Ca 0.32 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3kc4 h ILE 28 Cb -0.06 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3kc4 h ILE 28 CO -0.06 0.61 0.00 0.18 0.00 0.00 0.00 178.15 178.88 3kc4 n LEU 29 N -3.95 3.88 -4.77 1.44 4.32 -0.45 -4.91 117.00 112.55 3kc4 n LEU 29 Ca -0.06 -1.96 -0.40 0.00 -0.02 0.00 0.00 56.01 53.56 3kc4 n LEU 29 Cb 0.71 -0.58 0.01 0.00 -1.62 0.00 0.00 43.42 41.94 3kc4 n LEU 29 CO 0.52 0.52 1.05 -0.04 -1.22 0.00 0.00 177.39 178.22 3kc4 s MET 30 N -2.04 3.86 -0.10 3.23 -1.94 0.37 -4.55 119.30 118.14 3kc4 s MET 30 Ca 0.35 2.37 0.02 0.00 -1.71 0.00 0.00 55.69 56.72 3kc4 s MET 30 Cb 0.26 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 3kc4 s MET 30 CO 0.12 -0.66 -0.15 0.14 -0.01 0.00 0.00 175.02 174.46 3kc4 s VAL 31 N -1.20 2.94 -0.86 -6.03 -7.23 -1.24 -4.73 120.40 102.05 3kc4 s VAL 31 Ca 0.58 -0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 60.02 3kc4 s VAL 31 Cb -0.43 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3kc4 s VAL 31 CO 0.56 0.55 0.01 0.47 -0.31 0.00 0.00 175.10 176.37 3kc4 n ASP 32 N 3.06 -3.38 -2.74 4.85 9.92 -1.26 -3.04 116.55 123.96 3kc4 n ASP 32 Ca -0.18 -0.01 -0.14 0.00 -0.53 0.00 0.00 54.79 53.93 3kc4 n ASP 32 Cb 0.52 -2.64 0.06 0.00 -0.64 0.00 0.00 41.12 38.43 3kc4 n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kc4 n GLY 33 N -1.01 -0.13 3.15 0.44 0.00 -1.26 -5.01 105.19 101.36 3kc4 n GLY 33 Ca -0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3kc4 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 s LYS 34 N -5.36 0.28 0.34 1.61 1.02 -1.17 -5.00 119.74 111.46 3kc4 s LYS 34 Ca 0.17 0.66 0.18 0.00 0.02 0.00 0.00 55.97 56.99 3kc4 s LYS 34 Cb -0.07 -0.07 0.35 0.00 -0.52 0.00 0.00 37.83 37.52 3kc4 s LYS 34 CO 0.52 -0.17 1.58 -0.22 -0.92 0.00 0.00 175.35 176.14 3kc4 h LYS 35 N 7.23 0.00 0.00 1.68 3.64 -1.91 -3.31 116.57 123.90 3kc4 h LYS 35 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3kc4 h LYS 35 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3kc4 h LYS 35 CO 0.33 0.40 0.00 0.43 -2.27 0.00 0.00 179.45 178.34 3kc4 n SER 36 N -3.30 0.00 0.19 4.20 7.64 -1.26 -2.83 113.62 118.26 3kc4 n SER 36 Ca 0.01 0.80 0.17 0.00 1.01 0.00 0.00 58.87 60.87 3kc4 n SER 36 Cb 0.63 -0.30 0.70 0.00 -1.01 0.00 0.00 64.21 64.22 3kc4 n SER 36 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3kc4 h THR 37 N 0.00 0.16 -0.28 0.44 1.35 -1.87 -3.02 112.91 109.68 3kc4 h THR 37 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 3kc4 h THR 37 Cb 0.00 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 3kc4 h THR 37 CO 0.00 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.31 3kc4 h ALA 38 N 1.24 0.37 -0.01 6.62 0.00 -1.66 -3.10 119.26 122.73 3kc4 h ALA 38 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kc4 h ALA 38 Cb 1.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kc4 h ALA 38 CO -0.00 0.07 -0.04 0.93 0.00 0.00 0.00 179.25 180.21 3kc4 h GLU 39 N 0.28 0.02 0.00 0.00 5.08 -1.59 -3.25 114.58 115.12 3kc4 h GLU 39 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kc4 h GLU 39 Cb 0.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3kc4 h GLU 39 CO 0.01 0.06 0.00 0.43 -1.00 0.00 0.00 179.01 178.50 3kc4 n SER 40 N -4.48 0.00 -0.28 1.42 7.64 -1.17 -1.49 113.62 115.26 3kc4 n SER 40 Ca -0.03 0.35 0.09 0.00 1.01 0.00 0.00 58.87 60.29 3kc4 n SER 40 Cb 0.13 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.56 3kc4 n SER 40 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3kc4 h ILE 41 N 0.00 0.43 -0.59 0.44 -0.00 -1.77 -1.43 117.51 114.58 3kc4 h ILE 41 Ca 0.00 -0.09 0.12 0.00 -0.00 0.00 0.00 64.86 64.89 3kc4 h ILE 41 Cb 0.00 0.14 -0.11 0.00 -0.00 0.00 0.00 36.82 36.85 3kc4 h ILE 41 CO 0.00 0.05 -0.18 0.58 -0.00 0.00 0.00 178.15 178.60 3kc4 h VAL 42 N 0.26 0.35 0.03 0.16 2.07 -1.59 -1.70 116.25 115.83 3kc4 h VAL 42 Ca 0.49 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.76 3kc4 h VAL 42 Cb 0.90 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3kc4 h VAL 42 CO -0.58 0.00 -1.23 1.88 0.02 0.00 0.00 177.57 177.66 3kc4 h TYR 43 N -0.04 0.11 -0.24 1.57 0.05 -0.20 -1.82 116.97 116.41 3kc4 h TYR 43 Ca 0.28 -0.08 0.06 0.00 0.05 0.00 0.00 58.73 59.04 3kc4 h TYR 43 Cb 0.47 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 3kc4 h TYR 43 CO -0.52 1.08 0.17 0.77 -1.05 0.00 0.00 178.16 178.61 3kc4 h SER 44 N 0.02 0.05 0.00 3.88 0.02 -1.06 -1.00 113.55 115.46 3kc4 h SER 44 Ca -0.11 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.54 3kc4 h SER 44 Cb 1.87 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 64.34 3kc4 h SER 44 CO 0.13 0.03 -2.15 0.00 -1.14 0.00 0.00 176.83 173.70 3kc4 n ALA 45 N -2.57 1.58 -0.28 3.77 0.00 -0.67 -2.83 120.51 119.51 3kc4 n ALA 45 Ca 0.02 -1.00 0.09 0.00 0.00 0.00 0.00 53.44 52.56 3kc4 n ALA 45 Cb 0.28 -0.05 0.24 0.00 0.00 0.00 0.00 19.45 19.93 3kc4 n ALA 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kc4 h LEU 46 N 0.00 0.24 -0.10 0.00 3.38 -1.23 -2.31 115.31 115.29 3kc4 h LEU 46 Ca -0.45 0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.45 3kc4 h LEU 46 Cb 1.89 0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.79 3kc4 h LEU 46 CO -0.02 0.02 -0.76 -0.33 0.09 0.00 0.00 178.44 177.45 3kc4 h GLU 47 N 0.39 0.68 -0.38 1.13 5.08 -1.21 0.13 114.58 120.40 3kc4 h GLU 47 Ca 0.49 -0.61 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3kc4 h GLU 47 Cb 0.86 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 3kc4 h GLU 47 CO -0.49 1.21 -0.10 1.15 -1.00 0.00 0.00 179.01 179.78 3kc4 h THR 48 N 0.36 0.60 -0.23 1.13 2.02 -1.29 -1.12 112.91 114.39 3kc4 h THR 48 Ca -0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 3kc4 h THR 48 Cb 1.40 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3kc4 h THR 48 CO 0.15 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.91 3kc4 h LEU 49 N -0.01 0.45 -1.45 2.58 3.38 -1.41 -2.96 115.31 115.90 3kc4 h LEU 49 Ca 0.18 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.91 3kc4 h LEU 49 Cb 0.29 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3kc4 h LEU 49 CO -0.40 0.73 0.52 0.00 0.09 0.00 0.00 178.44 179.38 3kc4 h ALA 50 N 0.74 1.94 0.20 1.53 0.00 0.14 0.77 119.26 124.58 3kc4 h ALA 50 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kc4 h ALA 50 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kc4 h ALA 50 CO 0.02 -0.14 -0.09 1.96 0.00 0.00 0.00 179.25 181.00 3kc4 h GLN 51 N 0.57 -0.26 0.00 0.00 4.20 -1.24 -1.32 115.11 117.06 3kc4 h GLN 51 Ca 0.38 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.11 3kc4 h GLN 51 Cb 0.69 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3kc4 h GLN 51 CO -0.14 0.12 0.00 0.54 -0.67 0.00 0.00 178.83 178.68 3kc4 n ARG 52 N -5.02 0.17 -0.03 1.46 1.74 -0.54 -2.58 116.66 111.86 3kc4 n ARG 52 Ca -0.09 0.51 0.02 0.00 -0.77 0.00 0.00 57.85 57.52 3kc4 n ARG 52 Cb 0.25 -1.90 -0.12 0.00 -1.02 0.00 0.00 32.46 29.68 3kc4 n ARG 52 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kc4 n SER 53 N -2.23 1.39 0.00 0.55 7.64 0.15 -4.98 113.62 116.14 3kc4 n SER 53 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3kc4 n SER 53 Cb 0.15 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 3kc4 n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kc4 n GLY 54 N 1.80 0.45 3.37 0.23 0.00 -0.52 -5.01 105.19 105.51 3kc4 n GLY 54 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3kc4 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 s LYS 55 N -0.28 1.81 0.84 1.61 1.02 -1.10 -5.04 119.74 118.60 3kc4 s LYS 55 Ca 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 54.73 3kc4 s LYS 55 Cb 0.00 -2.01 -0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3kc4 s LYS 55 CO 0.00 0.51 0.44 0.43 -0.92 0.00 0.00 175.35 175.81 3kc4 n SER 56 N 1.65 -1.74 -0.08 2.83 7.64 -1.26 -4.46 113.62 118.20 3kc4 n SER 56 Ca -0.17 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.17 3kc4 n SER 56 Cb 0.52 -1.20 0.29 0.00 -1.01 0.00 0.00 64.21 62.81 3kc4 n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3kc4 h GLU 57 N -0.98 0.70 -0.30 1.43 5.08 -1.90 -2.17 114.58 116.44 3kc4 h GLU 57 Ca -0.44 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 3kc4 h GLU 57 Cb 1.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3kc4 h GLU 57 CO 0.38 0.57 -0.27 1.25 -1.00 0.00 0.00 179.01 179.94 3kc4 h LEU 58 N 0.70 0.75 -2.02 1.33 5.85 -1.97 -3.36 115.31 116.59 3kc4 h LEU 58 Ca 0.17 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3kc4 h LEU 58 Cb 0.12 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kc4 h LEU 58 CO -0.02 1.05 0.00 -1.84 -0.34 0.00 0.00 178.44 177.29 3kc4 n GLU 59 N -4.28 2.33 -0.65 1.25 0.28 -1.03 -4.02 120.64 114.52 3kc4 n GLU 59 Ca -0.04 -1.99 0.04 0.00 -0.16 0.00 0.00 57.16 55.01 3kc4 n GLU 59 Cb 0.46 -1.49 0.27 0.00 1.43 0.00 0.00 31.44 32.12 3kc4 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kc4 n ALA 60 N 1.25 3.58 -0.00 -1.84 0.00 -0.84 -4.66 120.51 117.99 3kc4 n ALA 60 Ca 0.18 -2.41 -0.00 0.00 0.00 0.00 0.00 53.44 51.21 3kc4 n ALA 60 Cb 0.56 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 3kc4 n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kc4 n PHE 61 N -0.43 0.00 -0.36 0.00 -0.00 -1.26 -4.55 117.46 110.86 3kc4 n PHE 61 Ca 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.63 3kc4 n PHE 61 Cb 1.04 -0.01 -0.09 0.00 -0.00 0.00 0.00 39.48 40.42 3kc4 n PHE 61 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3kc4 n GLU 62 N -2.58 -0.38 0.19 -4.13 4.71 -1.26 -2.84 120.64 114.35 3kc4 n GLU 62 Ca -0.00 1.42 -0.14 0.00 -0.01 0.00 0.00 57.16 58.42 3kc4 n GLU 62 Cb 0.01 -2.09 -0.07 0.00 -1.01 0.00 0.00 31.44 28.28 3kc4 n GLU 62 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kc4 h VAL 63 N 0.00 0.52 -0.92 2.62 2.07 -1.86 -2.71 116.25 115.97 3kc4 h VAL 63 Ca 0.14 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.88 3kc4 h VAL 63 Cb 0.36 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3kc4 h VAL 63 CO -0.82 0.00 0.62 0.00 0.02 0.00 0.00 177.57 177.39 3kc4 h ALA 64 N 0.15 2.36 0.12 1.67 0.00 -1.76 -3.05 119.26 118.74 3kc4 h ALA 64 Ca -0.02 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3kc4 h ALA 64 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kc4 h ALA 64 CO -0.01 -0.66 -1.79 1.25 0.00 0.00 0.00 179.25 178.04 3kc4 h LEU 65 N 0.31 0.39 -2.33 0.00 5.85 -1.33 -2.83 115.31 115.38 3kc4 h LEU 65 Ca 0.48 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3kc4 h LEU 65 Cb 1.35 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3kc4 h LEU 65 CO -0.15 1.62 0.00 -0.62 -0.34 0.00 0.00 178.44 178.95 3kc4 n GLU 66 N -3.43 0.64 0.00 1.25 1.02 -1.15 0.05 120.64 119.02 3kc4 n GLU 66 Ca -0.24 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.90 3kc4 n GLU 66 Cb 1.05 -1.18 -0.01 0.00 -0.02 0.00 0.00 31.44 31.29 3kc4 n GLU 66 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kc4 n ASN 67 N 0.92 0.16 0.00 1.62 3.02 -1.07 -4.74 115.26 115.17 3kc4 n ASN 67 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3kc4 n ASN 67 Cb 0.32 0.90 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 3kc4 n ASN 67 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3kc4 n VAL 68 N -0.92 0.00 -4.02 2.41 0.24 -0.20 -4.77 118.33 111.06 3kc4 n VAL 68 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 3kc4 n VAL 68 Cb 0.02 1.16 -0.15 0.00 -1.47 0.00 0.00 33.84 33.40 3kc4 n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kc4 s ARG 69 N 0.00 1.98 0.77 7.34 3.52 0.11 -2.77 118.95 129.89 3kc4 s ARG 69 Ca 0.00 -1.28 -0.17 0.00 -0.13 0.00 0.00 55.73 54.15 3kc4 s ARG 69 Cb 0.00 -2.81 -0.14 0.00 -1.56 0.00 0.00 34.95 30.44 3kc4 s ARG 69 CO 0.00 -0.61 -0.45 -2.30 -0.81 0.00 0.00 175.30 171.13 3kc4 n PRO 70 N 4.50 0.01 0.00 5.12 -0.02 -1.26 -4.61 135.00 138.73 3kc4 n PRO 70 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3kc4 n PRO 70 Cb 0.43 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 3kc4 n PRO 70 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3kc4 n THR 71 N -2.07 0.00 -4.01 3.45 5.66 -1.26 -4.90 114.28 111.15 3kc4 n THR 71 Ca 0.03 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.86 3kc4 n THR 71 Cb 0.52 0.16 -0.16 0.00 -1.55 0.00 0.00 70.33 69.30 3kc4 n THR 71 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3kc4 s VAL 72 N 0.00 0.28 0.17 1.08 1.01 -1.26 -5.05 120.40 116.63 3kc4 s VAL 72 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 3kc4 s VAL 72 Cb 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 36.11 3kc4 s VAL 72 CO 0.00 0.15 0.63 -1.83 0.00 0.00 0.00 175.10 174.05 3kc4 s GLU 73 N 0.81 1.33 0.03 2.72 1.03 -1.26 -5.00 118.70 118.36 3kc4 s GLU 73 Ca -0.09 -0.53 0.00 0.00 0.03 0.00 0.00 54.97 54.38 3kc4 s GLU 73 Cb -0.12 0.58 -0.03 0.00 -0.80 0.00 0.00 34.13 33.77 3kc4 s GLU 73 CO -0.01 -0.59 -0.04 0.14 -1.33 0.00 0.00 175.26 173.44 3kc4 s VAL 74 N -3.74 0.20 0.00 1.83 -7.23 -1.25 -4.30 120.40 105.91 3kc4 s VAL 74 Ca 0.03 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3kc4 s VAL 74 Cb -0.02 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.29 3kc4 s VAL 74 CO -0.10 -0.61 0.00 0.29 -0.31 0.00 0.00 175.10 174.37 3kc4 n LYS 75 N 1.19 3.21 -3.61 4.82 4.76 -1.25 -4.92 118.16 122.35 3kc4 n LYS 75 Ca -0.21 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.19 3kc4 n LYS 75 Cb 0.57 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.73 3kc4 n LYS 75 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kc4 s SER 76 N 1.00 -0.12 0.15 4.39 1.04 -1.26 -4.70 113.70 114.21 3kc4 s SER 76 Ca 0.00 0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 3kc4 s SER 76 Cb 0.00 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 3kc4 s SER 76 CO 0.00 -0.16 1.50 -0.09 0.98 0.00 0.00 173.24 175.47 3kc4 h ARG 77 N 2.07 0.96 -0.76 4.02 2.43 -1.25 -3.46 114.38 118.38 3kc4 h ARG 77 Ca -0.09 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3kc4 h ARG 77 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3kc4 h ARG 77 CO 0.23 1.14 0.00 0.54 -1.51 0.00 0.00 179.97 180.36 3kc4 n ARG 78 N -4.07 0.00 -2.95 0.20 1.74 -1.15 -4.95 116.66 105.48 3kc4 n ARG 78 Ca -0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 3kc4 n ARG 78 Cb 0.52 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.54 3kc4 n ARG 78 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kc4 s VAL 79 N -2.37 4.72 0.00 1.55 0.11 -0.73 -1.14 120.40 122.54 3kc4 s VAL 79 Ca 0.00 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 3kc4 s VAL 79 Cb 0.00 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 3kc4 s VAL 79 CO 0.00 -0.46 0.00 0.61 -3.33 0.00 0.00 175.10 171.92 3kc4 n GLY 80 N 4.55 0.85 0.00 6.54 0.00 -1.26 -2.76 105.19 113.11 3kc4 n GLY 80 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kc4 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 81 N -2.18 0.56 3.25 -0.02 0.00 -0.29 -5.10 105.19 101.41 3kc4 n GLY 81 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3kc4 n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kc4 s SER 82 N -2.02 0.02 0.53 1.61 0.01 -1.11 -4.58 113.70 108.16 3kc4 s SER 82 Ca 0.00 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.67 3kc4 s SER 82 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.62 3kc4 s SER 82 CO 0.00 -0.78 0.00 0.35 0.41 0.00 0.00 173.24 173.22 3kc4 n THR 83 N -0.12 0.00 -3.09 1.44 -2.24 -1.26 -1.77 114.28 107.24 3kc4 n THR 83 Ca -0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3kc4 n THR 83 Cb 0.63 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.92 3kc4 n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kc4 n TYR 84 N 0.00 -2.28 -2.06 4.78 9.36 -1.26 -1.62 117.16 124.08 3kc4 n TYR 84 Ca 0.00 0.80 -0.40 0.00 3.32 0.00 0.00 57.90 61.62 3kc4 n TYR 84 Cb 0.00 -3.98 -0.03 0.00 -0.63 0.00 0.00 39.34 34.70 3kc4 n TYR 84 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3kc4 s GLN 85 N -4.20 2.91 -0.18 2.98 -0.21 -1.26 -3.15 119.66 116.55 3kc4 s GLN 85 Ca 0.40 0.87 -0.09 0.00 0.02 0.00 0.00 55.36 56.56 3kc4 s GLN 85 Cb -0.05 -4.30 -0.05 0.00 1.00 0.00 0.00 33.01 29.61 3kc4 s GLN 85 CO 0.68 -2.38 0.13 0.08 -2.12 0.00 0.00 175.29 171.68 3kc4 s VAL 86 N 8.12 5.40 0.42 1.09 1.01 -1.26 -3.99 120.40 131.19 3kc4 s VAL 86 Ca 0.70 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 3kc4 s VAL 86 Cb -0.15 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 3kc4 s VAL 86 CO 0.25 0.48 0.96 -2.16 0.00 0.00 0.00 175.10 174.63 3kc4 s PRO 87 N 0.06 4.24 -0.06 2.72 0.04 -1.26 -4.20 135.00 136.53 3kc4 s PRO 87 Ca 0.09 1.16 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 3kc4 s PRO 87 Cb -0.11 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 32.21 3kc4 s PRO 87 CO -0.01 -0.03 0.23 0.08 0.04 0.00 0.00 177.00 177.32 3kc4 s VAL 88 N -2.11 0.02 0.01 -0.36 1.01 -1.26 -4.93 120.40 112.77 3kc4 s VAL 88 Ca 0.61 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.46 3kc4 s VAL 88 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3kc4 s VAL 88 CO 0.14 -0.10 -0.14 -0.70 0.00 0.00 0.00 175.10 174.30 3kc4 s GLU 89 N -0.33 2.32 0.57 2.72 2.12 -1.26 -3.76 118.70 121.07 3kc4 s GLU 89 Ca -0.04 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 54.52 3kc4 s GLU 89 Cb -0.03 -2.32 0.07 0.00 0.26 0.00 0.00 34.13 32.11 3kc4 s GLU 89 CO 0.01 0.58 0.78 0.14 -0.54 0.00 0.00 175.26 176.23 3kc4 s VAL 90 N -0.89 2.37 0.15 3.70 -7.23 -1.26 -5.07 120.40 112.17 3kc4 s VAL 90 Ca 0.14 -0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 59.12 3kc4 s VAL 90 Cb -0.11 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3kc4 s VAL 90 CO 0.05 0.00 1.43 -0.13 -0.31 0.00 0.00 175.10 176.14 3kc4 s ARG 91 N -4.70 4.29 0.49 4.82 0.52 -1.26 -4.97 118.95 118.14 3kc4 s ARG 91 Ca 0.61 2.17 0.19 0.00 -0.52 0.00 0.00 55.73 58.19 3kc4 s ARG 91 Cb -0.07 -3.20 1.24 0.00 0.52 0.00 0.00 34.95 33.44 3kc4 s ARG 91 CO 0.39 -0.46 2.07 -1.35 0.02 0.00 0.00 175.30 175.96 3kc4 h PRO 92 N 6.46 0.00 -0.46 3.54 0.11 -1.98 -3.30 132.00 136.37 3kc4 h PRO 92 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3kc4 h PRO 92 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3kc4 h PRO 92 CO 0.86 0.12 0.16 -0.39 -0.21 0.00 0.00 178.00 178.54 3kc4 h VAL 93 N 0.00 1.22 0.00 3.15 -1.51 -2.00 -2.04 116.25 115.07 3kc4 h VAL 93 Ca -0.00 -0.71 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 3kc4 h VAL 93 Cb 0.24 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3kc4 h VAL 93 CO 0.02 0.26 -0.09 0.08 -1.23 0.00 0.00 177.57 176.60 3kc4 h ARG 94 N 0.61 0.00 0.04 5.19 0.11 -1.99 -1.50 114.38 116.84 3kc4 h ARG 94 Ca 0.15 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.24 3kc4 h ARG 94 Cb 0.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.29 3kc4 h ARG 94 CO -0.01 0.09 -0.36 0.00 0.10 0.00 0.00 179.97 179.80 3kc4 h ARG 95 N 0.00 -0.46 -0.07 0.08 3.08 -1.47 -2.00 114.38 113.53 3kc4 h ARG 95 Ca -0.00 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3kc4 h ARG 95 Cb 0.98 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3kc4 h ARG 95 CO 0.01 -0.31 -0.07 -0.91 -1.07 0.00 0.00 179.97 177.62 3kc4 h ASN 96 N -0.48 -0.24 -0.88 7.04 2.35 -1.32 -1.41 115.58 120.64 3kc4 h ASN 96 Ca 0.00 0.03 0.23 0.00 -0.55 0.00 0.00 56.30 56.02 3kc4 h ASN 96 Cb 0.50 0.10 -0.15 0.00 0.05 0.00 0.00 38.32 38.82 3kc4 h ASN 96 CO -0.22 -0.04 0.11 0.00 -1.65 0.00 0.00 177.43 175.63 3kc4 h ALA 97 N -1.04 1.12 0.25 -0.83 0.00 -1.28 -0.38 119.26 117.10 3kc4 h ALA 97 Ca 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kc4 h ALA 97 Cb 0.07 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kc4 h ALA 97 CO -0.09 -0.50 -0.12 -0.07 0.00 0.00 0.00 179.25 178.48 3kc4 h LEU 98 N 0.11 -0.28 -0.42 0.00 3.38 -1.36 -3.23 115.31 113.51 3kc4 h LEU 98 Ca 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3kc4 h LEU 98 Cb 1.06 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3kc4 h LEU 98 CO -0.74 -0.00 0.28 0.00 0.09 0.00 0.00 178.44 178.06 3kc4 h ALA 99 N 0.11 0.53 -0.81 1.53 0.00 -0.07 -2.56 119.26 117.99 3kc4 h ALA 99 Ca -0.03 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.98 3kc4 h ALA 99 Cb 0.42 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3kc4 h ALA 99 CO 0.06 -0.01 0.41 0.52 0.00 0.00 0.00 179.25 180.22 3kc4 h MET 100 N 0.57 0.59 0.16 0.00 2.86 -1.23 -3.22 114.93 114.65 3kc4 h MET 100 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3kc4 h MET 100 Cb -0.06 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.47 3kc4 h MET 100 CO -0.03 0.39 -0.08 0.00 1.06 0.00 0.00 176.91 178.25 3kc4 h ARG 101 N 0.61 -0.21 -0.96 1.72 3.08 -1.46 -3.36 114.38 113.79 3kc4 h ARG 101 Ca 0.43 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.63 3kc4 h ARG 101 Cb 0.58 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 3kc4 h ARG 101 CO -0.35 -0.08 0.61 -1.49 -1.07 0.00 0.00 179.97 177.59 3kc4 h TRP 102 N -0.28 1.01 -0.02 3.04 6.55 -1.66 -1.08 115.95 123.51 3kc4 h TRP 102 Ca -0.02 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.85 3kc4 h TRP 102 Cb 0.22 -0.32 -0.00 0.00 -0.86 0.00 0.00 29.16 28.20 3kc4 h TRP 102 CO -0.05 0.37 0.06 0.97 -1.05 0.00 0.00 178.44 178.75 3kc4 h ILE 103 N 0.86 0.19 0.07 1.49 2.10 -1.78 -3.16 117.51 117.27 3kc4 h ILE 103 Ca 0.49 0.00 -0.36 0.00 1.08 0.00 0.00 64.86 66.06 3kc4 h ILE 103 Cb 0.62 0.94 -0.04 0.00 -1.09 0.00 0.00 36.82 37.25 3kc4 h ILE 103 CO -0.25 0.00 -2.10 0.52 -1.08 0.00 0.00 178.15 175.23 3kc4 n VAL 104 N -3.34 1.67 -0.31 2.19 0.31 -0.41 -2.66 118.33 115.78 3kc4 n VAL 104 Ca -0.02 -0.67 0.15 0.00 -0.01 0.00 0.00 64.34 63.79 3kc4 n VAL 104 Cb 0.14 -1.49 0.32 0.00 -0.91 0.00 0.00 33.84 31.91 3kc4 n VAL 104 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kc4 h GLU 105 N 0.04 0.30 0.00 5.55 4.39 -1.61 -1.77 114.58 121.48 3kc4 h GLU 105 Ca -0.45 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3kc4 h GLU 105 Cb 2.01 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 3kc4 h GLU 105 CO 0.04 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 3kc4 h ALA 106 N 1.76 1.00 -1.84 3.43 0.00 -1.51 -3.40 119.26 118.70 3kc4 h ALA 106 Ca 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 3kc4 h ALA 106 Cb 1.17 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.69 3kc4 h ALA 106 CO -0.59 0.00 -0.41 0.00 0.00 0.00 0.00 179.25 178.24 3kc4 s ALA 107 N -3.50 -1.34 0.00 0.00 0.00 -0.66 -4.99 121.76 111.28 3kc4 s ALA 107 Ca 0.02 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3kc4 s ALA 107 Cb 0.09 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3kc4 s ALA 107 CO 0.42 -1.18 0.00 0.54 0.00 0.00 0.00 175.76 175.54 3kc4 n ARG 108 N 5.38 1.77 0.00 0.00 5.12 -1.25 -4.64 116.66 123.04 3kc4 n ARG 108 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 3kc4 n ARG 108 Cb 0.50 -0.68 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 3kc4 n ARG 108 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3kc4 n LYS 109 N -0.98 0.00 -0.07 5.56 4.81 -1.26 -4.88 118.16 121.34 3kc4 n LYS 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kc4 n LYS 109 Cb 0.16 -0.38 0.00 0.00 0.02 0.00 0.00 35.03 34.82 3kc4 n LYS 109 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3kc4 n ARG 110 N -0.79 0.00 0.11 1.64 0.63 -1.26 -4.62 116.66 112.38 3kc4 n ARG 110 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 3kc4 n ARG 110 Cb 0.00 -0.07 0.02 0.00 0.45 0.00 0.00 32.46 32.86 3kc4 n ARG 110 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kc4 h GLY 111 N -0.14 0.00 -3.59 5.14 0.00 -2.00 -3.41 103.07 99.08 3kc4 h GLY 111 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3kc4 h GLY 111 CO 0.00 0.00 0.40 0.99 0.00 0.00 0.00 176.54 177.93 3kc4 s ASP 112 N -5.82 7.37 0.00 0.19 1.11 -1.26 -4.95 116.67 113.31 3kc4 s ASP 112 Ca 0.01 2.07 0.10 0.00 0.18 0.00 0.00 52.55 54.91 3kc4 s ASP 112 Cb 0.08 -2.61 0.26 0.00 1.07 0.00 0.00 42.92 41.72 3kc4 s ASP 112 CO 0.76 -0.05 1.21 0.29 1.18 0.00 0.00 175.17 178.56 3kc4 n LYS 113 N 1.11 2.74 -3.74 8.23 4.76 -1.26 -4.76 118.16 125.24 3kc4 n LYS 113 Ca -0.00 -1.95 -0.13 0.00 -2.87 0.00 0.00 58.31 53.36 3kc4 n LYS 113 Cb 0.47 -1.24 -0.09 0.00 -1.84 0.00 0.00 35.03 32.32 3kc4 n LYS 113 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3kc4 s SER 114 N -0.99 -0.35 0.00 4.39 0.01 -1.26 -5.00 113.70 110.51 3kc4 s SER 114 Ca 0.20 0.54 0.07 0.00 1.31 0.00 0.00 55.95 58.07 3kc4 s SER 114 Cb 0.11 0.62 0.30 0.00 0.21 0.00 0.00 66.02 67.25 3kc4 s SER 114 CO 0.14 -0.27 1.17 0.23 0.41 0.00 0.00 173.24 174.93 3kc4 n MET 115 N 2.22 0.03 0.00 12.44 2.81 -1.26 0.47 117.12 133.82 3kc4 n MET 115 Ca -0.16 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 3kc4 n MET 115 Cb 0.57 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 3kc4 n MET 115 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kc4 n ALA 116 N -1.44 0.00 -0.32 3.04 0.00 -1.26 -3.95 120.51 116.58 3kc4 n ALA 116 Ca 0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.67 3kc4 n ALA 116 Cb 0.07 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.00 3kc4 n ALA 116 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kc4 h LEU 117 N 0.00 0.50 0.00 0.00 3.38 -1.44 0.19 115.31 117.93 3kc4 h LEU 117 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kc4 h LEU 117 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kc4 h LEU 117 CO 0.00 0.12 0.00 0.54 0.09 0.00 0.00 178.44 179.19 3kc4 n ARG 118 N -4.65 0.00 0.32 1.13 1.74 0.18 -1.48 116.66 113.90 3kc4 n ARG 118 Ca 0.24 0.11 0.15 0.00 -0.77 0.00 0.00 57.85 57.58 3kc4 n ARG 118 Cb 0.81 -1.00 0.78 0.00 -1.02 0.00 0.00 32.46 32.03 3kc4 n ARG 118 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3kc4 h LEU 119 N 0.00 0.00 0.00 0.55 3.38 -1.65 -1.51 115.31 116.08 3kc4 h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kc4 h LEU 119 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kc4 h LEU 119 CO 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 3kc4 h ALA 120 N 1.29 0.00 -0.82 1.53 0.00 -0.38 -3.04 119.26 117.83 3kc4 h ALA 120 Ca 0.01 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3kc4 h ALA 120 Cb 0.74 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3kc4 h ALA 120 CO -0.00 0.01 0.54 -0.91 0.00 0.00 0.00 179.25 178.88 3kc4 h ASN 121 N -0.09 0.50 0.12 0.00 2.35 -1.29 -2.97 115.58 114.20 3kc4 h ASN 121 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3kc4 h ASN 121 Cb 0.01 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3kc4 h ASN 121 CO 0.00 0.25 -0.06 -0.08 -1.65 0.00 0.00 177.43 175.90 3kc4 h GLU 122 N 0.53 -0.16 0.00 0.81 4.81 -1.41 -3.20 114.58 115.97 3kc4 h GLU 122 Ca 0.41 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3kc4 h GLU 122 Cb 0.81 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3kc4 h GLU 122 CO -0.16 -0.02 0.00 1.25 -0.73 0.00 0.00 179.01 179.35 3kc4 h LEU 123 N -0.26 0.00 -1.43 1.64 5.85 -1.40 -3.20 115.31 116.51 3kc4 h LEU 123 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3kc4 h LEU 123 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3kc4 h LEU 123 CO 0.03 0.00 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.60 3kc4 h SER 124 N 0.00 0.00 0.46 1.25 0.87 -1.64 -2.13 113.55 112.37 3kc4 h SER 124 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3kc4 h SER 124 Cb 0.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3kc4 h SER 124 CO 0.00 0.25 -1.55 0.47 -0.53 0.00 0.00 176.83 175.47 3kc4 n ASP 125 N -3.69 0.40 0.14 6.23 8.00 -1.21 -4.41 116.55 122.02 3kc4 n ASP 125 Ca -0.01 0.15 -0.00 0.00 0.71 0.00 0.00 54.79 55.64 3kc4 n ASP 125 Cb 0.36 1.25 0.24 0.00 -0.02 0.00 0.00 41.12 42.95 3kc4 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc4 h ALA 126 N 1.97 1.12 -0.00 2.24 0.00 -1.55 -2.44 119.26 120.60 3kc4 h ALA 126 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kc4 h ALA 126 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kc4 h ALA 126 CO 0.00 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.53 3kc4 n ALA 127 N -2.45 3.26 -1.20 0.00 0.00 -1.25 -1.31 120.51 117.56 3kc4 n ALA 127 Ca -0.02 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.16 3kc4 n ALA 127 Cb 0.53 -1.18 0.20 0.00 0.00 0.00 0.00 19.45 19.00 3kc4 n ALA 127 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kc4 n GLU 128 N -1.32 1.99 -3.06 0.00 -0.58 -1.18 -4.77 120.64 111.73 3kc4 n GLU 128 Ca 0.07 -2.90 -0.12 0.00 -0.42 0.00 0.00 57.16 53.80 3kc4 n GLU 128 Cb 0.33 -1.70 0.06 0.00 -0.57 0.00 0.00 31.44 29.56 3kc4 n GLU 128 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kc4 n ASN 129 N -1.02 -6.34 0.00 1.62 4.13 -0.43 -4.89 115.26 108.33 3kc4 n ASN 129 Ca 0.22 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.91 3kc4 n ASN 129 Cb 0.82 -4.78 0.00 0.00 -1.54 0.00 0.00 39.78 34.28 3kc4 n ASN 129 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 3kc4 n LYS 130 N -2.89 0.00 0.00 3.52 2.85 -0.99 -4.92 118.16 115.74 3kc4 n LYS 130 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 3kc4 n LYS 130 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 3kc4 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kc4 n GLY 131 N 0.00 2.20 0.06 2.58 0.00 -0.96 -4.81 105.19 104.25 3kc4 n GLY 131 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3kc4 n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kc4 n THR 132 N 0.00 0.93 -0.22 2.61 -2.24 -1.26 -2.69 114.28 111.41 3kc4 n THR 132 Ca 0.00 0.58 0.30 0.00 -2.27 0.00 0.00 64.05 62.66 3kc4 n THR 132 Cb 0.00 -1.58 0.72 0.00 -2.10 0.00 0.00 70.33 67.36 3kc4 n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kc4 h ALA 133 N 1.12 2.88 -0.03 6.98 0.00 -1.91 -1.09 119.26 127.21 3kc4 h ALA 133 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3kc4 h ALA 133 Cb 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kc4 h ALA 133 CO 0.00 -1.17 -0.66 0.28 0.00 0.00 0.00 179.25 177.71 3kc4 h VAL 134 N 0.03 1.43 0.00 0.00 2.07 -1.86 -1.46 116.25 116.46 3kc4 h VAL 134 Ca 0.47 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.83 3kc4 h VAL 134 Cb 1.84 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 3kc4 h VAL 134 CO -0.02 0.63 0.00 0.29 0.02 0.00 0.00 177.57 178.49 3kc4 n LYS 135 N -3.80 0.07 0.00 1.57 5.02 -0.42 -3.90 118.16 116.70 3kc4 n LYS 135 Ca -0.02 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3kc4 n LYS 135 Cb 0.65 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3kc4 n LYS 135 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kc4 n LYS 136 N -1.75 0.00 -0.16 1.97 5.02 -0.61 -4.91 118.16 117.72 3kc4 n LYS 136 Ca 0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3kc4 n LYS 136 Cb 0.25 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.31 3kc4 n LYS 136 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kc4 h ARG 137 N 0.00 0.06 -0.39 1.97 2.43 -1.21 -3.30 114.38 113.95 3kc4 h ARG 137 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kc4 h ARG 137 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3kc4 h ARG 137 CO 0.00 0.04 0.00 0.39 -1.51 0.00 0.00 179.97 178.89 3kc4 n GLU 138 N -5.29 0.42 0.00 0.20 1.02 -1.17 -2.23 120.64 113.60 3kc4 n GLU 138 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3kc4 n GLU 138 Cb 0.27 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3kc4 n GLU 138 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3kc4 n ASP 139 N 0.22 0.00 -0.14 1.62 4.64 -1.24 -4.68 116.55 116.96 3kc4 n ASP 139 Ca 0.00 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.29 3kc4 n ASP 139 Cb 0.10 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.16 3kc4 n ASP 139 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3kc4 h VAL 140 N 0.00 1.28 0.00 5.18 2.07 -1.58 -2.87 116.25 120.33 3kc4 h VAL 140 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3kc4 h VAL 140 Cb 0.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kc4 h VAL 140 CO 0.00 0.45 -0.75 0.45 0.02 0.00 0.00 177.57 177.74 3kc4 h HIS 141 N 0.70 0.00 0.24 1.57 3.86 -1.84 -2.60 115.15 117.08 3kc4 h HIS 141 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3kc4 h HIS 141 Cb 0.75 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 3kc4 h HIS 141 CO 0.06 0.00 -0.22 -0.09 0.86 0.00 0.00 177.93 178.54 3kc4 h ARG 142 N 0.00 -0.47 0.02 2.45 1.12 -1.78 -2.62 114.38 113.10 3kc4 h ARG 142 Ca 0.00 0.03 0.02 0.00 -1.11 0.00 0.00 59.98 58.92 3kc4 h ARG 142 Cb 0.89 0.11 -0.05 0.00 -0.01 0.00 0.00 29.97 30.92 3kc4 h ARG 142 CO 0.00 -0.31 -0.45 1.98 -3.11 0.00 0.00 179.97 178.08 3kc4 h MET 143 N -0.49 -0.56 -6.84 0.20 4.05 -1.43 -3.44 114.93 106.42 3kc4 h MET 143 Ca -0.01 0.04 -0.56 0.00 -0.28 0.00 0.00 59.70 58.89 3kc4 h MET 143 Cb 0.44 0.13 0.12 0.00 -0.80 0.00 0.00 31.60 31.49 3kc4 h MET 143 CO -0.04 -0.37 0.56 0.00 0.23 0.00 0.00 176.91 177.29 3kc4 n ALA 144 N -2.88 1.53 -1.39 0.39 0.00 -0.99 -2.21 120.51 114.96 3kc4 n ALA 144 Ca -0.06 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 3kc4 n ALA 144 Cb 0.34 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 3kc4 n ALA 144 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kc4 n GLU 145 N 0.18 -0.57 0.00 0.00 1.02 -1.26 -4.54 120.64 115.46 3kc4 n GLU 145 Ca 0.05 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3kc4 n GLU 145 Cb 0.39 -4.57 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 3kc4 n GLU 145 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc4 n ALA 146 N 0.72 0.00 0.12 0.62 0.00 -1.21 -4.72 120.51 116.03 3kc4 n ALA 146 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.41 3kc4 n ALA 146 Cb 0.31 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.86 3kc4 n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kc4 n ASN 147 N 0.00 2.41 -4.73 0.00 5.03 -0.94 -4.96 115.26 112.07 3kc4 n ASN 147 Ca 0.00 -1.74 -0.42 0.00 0.87 0.00 0.00 54.58 53.30 3kc4 n ASN 147 Cb 0.05 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.67 3kc4 n ASN 147 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3kc4 s LYS 148 N -0.94 4.29 0.00 3.52 1.02 -1.26 -4.91 119.74 121.46 3kc4 s LYS 148 Ca 0.17 2.21 0.04 0.00 0.02 0.00 0.00 55.97 58.41 3kc4 s LYS 148 Cb 0.10 -3.17 0.07 0.00 -0.52 0.00 0.00 37.83 34.32 3kc4 s LYS 148 CO 0.14 -0.43 0.87 0.00 -0.92 0.00 0.00 175.35 175.01 3kc4 n ALA 149 N 3.14 2.27 -3.32 5.17 0.00 -1.26 -4.97 120.51 121.54 3kc4 n ALA 149 Ca 0.09 -0.80 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 3kc4 n ALA 149 Cb 0.41 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 3kc4 n ALA 149 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kc4 s PHE 150 N -0.69 -0.33 -2.14 0.00 5.99 -1.26 -4.84 117.98 114.72 3kc4 s PHE 150 Ca 0.07 0.57 0.31 0.00 0.00 0.00 0.00 56.93 57.87 3kc4 s PHE 150 Cb 0.04 0.19 1.68 0.00 0.00 0.00 0.00 43.02 44.92 3kc4 s PHE 150 CO 0.05 -0.44 2.10 0.00 -0.00 0.00 0.00 175.22 176.93