#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n SER 3 N 0.00 0.00 0.00 6.15 3.41 -1.26 -4.98 113.62 116.94 3kc4 n SER 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kc4 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kc4 n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc4 n LEU 4 N 0.00 0.19 0.00 1.04 -0.00 -1.26 -5.12 117.00 111.84 3kc4 n LEU 4 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 3kc4 n LEU 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3kc4 n LEU 4 CO 0.00 0.05 0.00 0.29 -0.00 0.00 0.00 177.39 177.73 3kc4 n LYS 5 N -0.21 0.00 -1.94 1.47 5.02 -1.26 -4.80 118.16 116.44 3kc4 n LYS 5 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3kc4 n LYS 5 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.05 3kc4 n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kc4 s LYS 6 N -1.95 4.21 0.16 1.97 1.02 -1.26 -4.68 119.74 119.20 3kc4 s LYS 6 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.32 3kc4 s LYS 6 Cb 0.00 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3kc4 s LYS 6 CO 0.00 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 3kc4 n GLY 7 N 3.89 -2.23 3.76 -3.33 0.00 -1.26 -4.93 105.19 101.08 3kc4 n GLY 7 Ca 0.15 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 3kc4 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kc4 s PRO 8 N -0.88 1.98 -0.39 1.61 0.04 -1.26 -4.91 135.00 131.18 3kc4 s PRO 8 Ca 0.00 1.05 0.09 0.00 0.04 0.00 0.00 61.00 62.18 3kc4 s PRO 8 Cb 0.00 -1.87 0.28 0.00 0.04 0.00 0.00 34.50 32.95 3kc4 s PRO 8 CO 0.00 -1.80 0.63 1.19 0.04 0.00 0.00 177.00 177.06 3kc4 n PHE 9 N -3.62 -0.45 1.36 0.56 3.72 -1.26 -4.89 117.46 112.88 3kc4 n PHE 9 Ca 0.08 -3.49 0.14 0.00 -0.05 0.00 0.00 57.45 54.13 3kc4 n PHE 9 Cb 0.54 -0.19 0.49 0.00 -0.94 0.00 0.00 39.48 39.37 3kc4 n PHE 9 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3kc4 n ILE 10 N 1.02 0.00 -4.17 4.37 -5.35 -1.26 -4.71 119.36 109.26 3kc4 n ILE 10 Ca 0.21 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3kc4 n ILE 10 Cb 0.58 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 3kc4 n ILE 10 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kc4 n ASP 11 N -0.60 -0.01 -0.02 7.28 10.43 -1.26 -3.55 116.55 128.81 3kc4 n ASP 11 Ca 0.14 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.50 3kc4 n ASP 11 Cb 0.32 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.28 3kc4 n ASP 11 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3kc4 n LEU 12 N 0.00 0.00 -0.00 0.64 7.94 -1.26 -4.45 117.00 119.86 3kc4 n LEU 12 Ca 0.00 -0.45 0.04 0.00 -1.11 0.00 0.00 56.01 54.49 3kc4 n LEU 12 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3kc4 n LEU 12 CO 0.00 0.49 -0.16 0.00 -1.11 0.00 0.00 177.39 176.60 3kc4 n HIS 13 N 0.00 0.00 -1.02 1.96 1.44 -1.26 -2.19 115.22 114.15 3kc4 n HIS 13 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 3kc4 n HIS 13 Cb 0.42 -0.05 0.10 0.00 0.12 0.00 0.00 29.99 30.58 3kc4 n HIS 13 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3kc4 n LEU 14 N -1.33 1.96 -1.52 2.39 -0.00 -1.26 -4.16 117.00 113.07 3kc4 n LEU 14 Ca 0.01 -2.60 0.00 0.00 -0.00 0.00 0.00 56.01 53.42 3kc4 n LEU 14 Cb 0.14 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 3kc4 n LEU 14 CO 0.16 0.61 0.16 -0.11 -0.00 0.00 0.00 177.39 178.20 3kc4 n LEU 15 N -1.09 0.40 0.03 1.47 7.94 -1.23 -4.66 117.00 119.85 3kc4 n LEU 15 Ca 0.11 -2.14 -0.12 0.00 -1.11 0.00 0.00 56.01 52.76 3kc4 n LEU 15 Cb 0.59 0.04 -0.07 0.00 0.53 0.00 0.00 43.42 44.51 3kc4 n LEU 15 CO 0.01 0.87 0.86 0.50 -1.11 0.00 0.00 177.39 178.52 3kc4 h LYS 16 N 0.86 0.02 0.00 1.96 1.63 -1.60 -2.78 116.57 116.67 3kc4 h LYS 16 Ca -0.33 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3kc4 h LYS 16 Cb 1.69 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 3kc4 h LYS 16 CO -0.01 0.05 0.00 1.63 -3.45 0.00 0.00 179.45 177.67 3kc4 n LYS 17 N -5.06 -0.46 -0.23 1.90 4.76 -1.26 -4.43 118.16 113.38 3kc4 n LYS 17 Ca -0.07 -0.41 -0.01 0.00 -2.87 0.00 0.00 58.31 54.95 3kc4 n LYS 17 Cb 0.05 -0.84 0.20 0.00 -1.84 0.00 0.00 35.03 32.59 3kc4 n LYS 17 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3kc4 h VAL 18 N 0.37 1.22 0.00 -0.18 2.07 -1.83 -3.15 116.25 114.74 3kc4 h VAL 18 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3kc4 h VAL 18 Cb 0.20 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3kc4 h VAL 18 CO 0.00 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 175.98 3kc4 n GLU 19 N -4.37 0.01 -0.10 1.57 0.28 -1.05 -0.77 120.64 116.20 3kc4 n GLU 19 Ca 0.08 0.28 0.11 0.00 -0.16 0.00 0.00 57.16 57.47 3kc4 n GLU 19 Cb 0.08 -1.51 0.15 0.00 1.43 0.00 0.00 31.44 31.59 3kc4 n GLU 19 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kc4 n LYS 20 N -1.53 2.28 -2.71 3.44 4.01 -1.19 -4.61 118.16 117.86 3kc4 n LYS 20 Ca 0.03 -2.05 -0.07 0.00 -0.51 0.00 0.00 58.31 55.71 3kc4 n LYS 20 Cb 0.16 -1.46 0.09 0.00 -0.51 0.00 0.00 35.03 33.31 3kc4 n LYS 20 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kc4 n ALA 21 N 1.34 -1.61 -0.22 7.82 0.00 0.05 -4.98 120.51 122.90 3kc4 n ALA 21 Ca 0.16 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 3kc4 n ALA 21 Cb 0.57 -1.82 0.03 0.00 0.00 0.00 0.00 19.45 18.23 3kc4 n ALA 21 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3kc4 h VAL 22 N 2.18 1.25 0.00 0.00 -1.51 -1.32 -2.97 116.25 113.87 3kc4 h VAL 22 Ca -0.17 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 3kc4 h VAL 22 Cb 1.14 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3kc4 h VAL 22 CO 0.09 0.33 0.00 -0.62 -1.23 0.00 0.00 177.57 176.14 3kc4 n GLU 23 N -4.37 0.92 -3.50 5.19 1.02 -1.22 -1.37 120.64 117.32 3kc4 n GLU 23 Ca 0.04 -0.92 -0.21 0.00 -0.02 0.00 0.00 57.16 56.05 3kc4 n GLU 23 Cb 0.22 -0.94 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 3kc4 n GLU 23 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3kc4 s SER 24 N -0.45 6.07 0.93 1.62 0.01 -1.12 -4.10 113.70 116.66 3kc4 s SER 24 Ca 0.00 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 3kc4 s SER 24 Cb 0.00 -1.54 0.08 0.00 0.21 0.00 0.00 66.02 64.77 3kc4 s SER 24 CO 0.00 -0.37 0.71 0.61 0.41 0.00 0.00 173.24 174.60 3kc4 n GLY 25 N -1.68 -1.33 3.77 3.44 0.00 -1.24 -4.11 105.19 104.04 3kc4 n GLY 25 Ca -0.03 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 3kc4 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kc4 s ASP 26 N -2.24 5.69 0.00 1.61 -1.08 -1.24 -4.89 116.67 114.52 3kc4 s ASP 26 Ca 0.61 2.26 0.00 0.00 -0.52 0.00 0.00 52.55 54.91 3kc4 s ASP 26 Cb -0.22 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.65 3kc4 s ASP 26 CO 0.63 -1.25 0.13 2.29 0.52 0.00 0.00 175.17 177.50 3kc4 n LYS 27 N -1.19 0.00 0.00 4.34 2.85 -1.26 -5.06 118.16 117.84 3kc4 n LYS 27 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 3kc4 n LYS 27 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 3kc4 n LYS 27 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3kc4 n LYS 28 N 0.00 0.00 -2.88 -1.58 3.00 -1.26 -5.10 118.16 110.34 3kc4 n LYS 28 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3kc4 n LYS 28 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.47 3kc4 n LYS 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3kc4 s PRO 29 N 0.00 3.32 -0.27 1.64 0.04 -1.26 -4.81 135.00 133.66 3kc4 s PRO 29 Ca 0.00 -0.31 -0.28 0.00 0.04 0.00 0.00 61.00 60.45 3kc4 s PRO 29 Cb 0.00 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 3kc4 s PRO 29 CO 0.00 -1.43 2.12 -1.17 0.04 0.00 0.00 177.00 176.56 3kc4 s LEU 30 N 3.76 3.45 -0.78 -3.56 2.96 -1.17 -4.89 118.68 118.45 3kc4 s LEU 30 Ca 0.29 1.66 -0.24 0.00 -0.22 0.00 0.00 54.13 55.62 3kc4 s LEU 30 Cb -0.13 -3.44 -0.16 0.00 0.50 0.00 0.00 46.19 42.96 3kc4 s LEU 30 CO 0.19 -1.96 2.39 -1.14 -1.32 0.00 0.00 176.35 174.51 3kc4 n ARG 31 N 8.70 0.54 -3.23 1.98 0.63 -1.26 -1.36 116.66 122.66 3kc4 n ARG 31 Ca 0.28 -0.57 -0.46 0.00 -0.92 0.00 0.00 57.85 56.18 3kc4 n ARG 31 Cb 0.46 -3.23 -0.03 0.00 0.45 0.00 0.00 32.46 30.11 3kc4 n ARG 31 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3kc4 s THR 32 N 12.27 5.24 -0.61 5.15 -4.23 -1.16 -4.81 115.64 127.50 3kc4 s THR 32 Ca 1.01 -1.81 0.25 0.00 -1.18 0.00 0.00 61.69 59.96 3kc4 s THR 32 Cb -0.27 -4.47 0.28 0.00 1.34 0.00 0.00 72.50 69.38 3kc4 s THR 32 CO 0.19 -1.06 1.76 -0.25 -0.54 0.00 0.00 174.62 174.72 3kc4 h TRP 33 N 8.49 0.00 -3.93 3.99 2.91 -1.89 -3.17 115.95 122.35 3kc4 h TRP 33 Ca -0.08 0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.43 3kc4 h TRP 33 Cb 1.06 0.00 0.05 0.00 -0.51 0.00 0.00 29.16 29.76 3kc4 h TRP 33 CO 0.93 0.00 0.50 0.45 -1.03 0.00 0.00 178.44 179.29 3kc4 s SER 34 N -4.59 6.63 0.00 2.65 0.15 -1.26 -4.36 113.70 112.91 3kc4 s SER 34 Ca 0.08 2.34 0.22 0.00 0.70 0.00 0.00 55.95 59.28 3kc4 s SER 34 Cb 0.11 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 62.11 3kc4 s SER 34 CO 0.54 -0.60 1.29 0.54 1.20 0.00 0.00 173.24 176.21 3kc4 n ARG 35 N 0.22 2.26 -0.81 5.44 1.74 -1.26 -4.09 116.66 120.16 3kc4 n ARG 35 Ca 0.04 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 3kc4 n ARG 35 Cb 0.46 -1.45 0.30 0.00 -1.02 0.00 0.00 32.46 30.75 3kc4 n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kc4 n ARG 36 N 1.31 3.78 -2.01 5.56 1.74 -1.26 -3.02 116.66 122.76 3kc4 n ARG 36 Ca 0.16 -2.59 -0.40 0.00 -0.77 0.00 0.00 57.85 54.25 3kc4 n ARG 36 Cb 0.56 -2.11 -0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3kc4 n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kc4 s SER 37 N -0.70 6.46 0.21 0.55 0.01 -1.26 -5.01 113.70 113.96 3kc4 s SER 37 Ca 0.46 2.77 0.07 0.00 1.31 0.00 0.00 55.95 60.55 3kc4 s SER 37 Cb 0.36 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3kc4 s SER 37 CO 0.12 -0.76 0.13 0.42 0.41 0.00 0.00 173.24 173.56 3kc4 s THR 38 N -1.18 4.26 -0.31 1.44 -4.23 -1.26 -3.64 115.64 110.71 3kc4 s THR 38 Ca 0.53 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.69 3kc4 s THR 38 Cb -0.41 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.26 3kc4 s THR 38 CO 0.54 -0.23 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.75 3kc4 s ILE 39 N -1.96 2.76 0.21 2.99 1.01 -1.26 -4.67 121.20 120.28 3kc4 s ILE 39 Ca 0.31 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 59.36 3kc4 s ILE 39 Cb -0.09 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 3kc4 s ILE 39 CO 0.23 -0.20 0.08 0.12 0.00 0.00 0.00 174.94 175.17 3kc4 s PHE 40 N 1.17 1.30 0.00 3.97 2.19 -1.23 -4.46 117.98 120.92 3kc4 s PHE 40 Ca -0.03 -1.19 0.00 0.00 0.33 0.00 0.00 56.93 56.04 3kc4 s PHE 40 Cb -0.20 -0.73 0.00 0.00 -1.31 0.00 0.00 43.02 40.78 3kc4 s PHE 40 CO -0.03 -0.39 0.65 -2.30 1.83 0.00 0.00 175.22 174.97 3kc4 n PRO 41 N -0.33 0.50 -0.11 10.12 -0.02 -1.26 -1.63 135.00 142.27 3kc4 n PRO 41 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3kc4 n PRO 41 Cb 0.65 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 3kc4 n PRO 41 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kc4 n ASN 42 N 1.04 0.00 -3.00 2.55 4.13 -1.26 -4.81 115.26 113.91 3kc4 n ASN 42 Ca 0.00 -1.04 -0.14 0.00 1.68 0.00 0.00 54.58 55.08 3kc4 n ASN 42 Cb 0.25 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.49 3kc4 n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3kc4 n MET 43 N 0.00 1.02 -4.45 3.52 2.81 -0.65 -4.59 117.12 114.77 3kc4 n MET 43 Ca 0.00 -3.01 -0.22 0.00 -1.81 0.00 0.00 57.70 52.66 3kc4 n MET 43 Cb 0.51 -1.43 -0.09 0.00 -0.71 0.00 0.00 33.22 31.49 3kc4 n MET 43 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3kc4 s ILE 44 N -1.88 0.80 0.00 2.02 -5.25 -0.47 -3.55 121.20 112.87 3kc4 s ILE 44 Ca 0.34 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.00 3kc4 s ILE 44 Cb 0.36 -2.56 0.00 0.00 2.95 0.00 0.00 42.46 43.20 3kc4 s ILE 44 CO -0.06 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.70 3kc4 n GLY 45 N -0.75 0.63 3.17 6.27 0.00 -1.22 -3.39 105.19 109.91 3kc4 n GLY 45 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 3kc4 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kc4 s LEU 46 N 0.00 2.09 -0.93 0.99 1.43 -1.26 -3.59 118.68 117.41 3kc4 s LEU 46 Ca 0.00 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 51.81 3kc4 s LEU 46 Cb 0.00 0.12 0.19 0.00 0.03 0.00 0.00 46.19 46.53 3kc4 s LEU 46 CO 0.00 -0.62 0.98 0.42 0.23 0.00 0.00 176.35 177.36 3kc4 s THR 47 N -3.85 5.32 -0.48 5.49 -4.23 -1.26 -4.34 115.64 112.29 3kc4 s THR 47 Ca 0.20 -2.30 -0.20 0.00 -1.18 0.00 0.00 61.69 58.21 3kc4 s THR 47 Cb 0.07 -4.62 0.04 0.00 1.34 0.00 0.00 72.50 69.32 3kc4 s THR 47 CO -0.00 -1.25 0.66 -0.63 -0.54 0.00 0.00 174.62 172.86 3kc4 s ILE 48 N 0.95 4.80 -1.23 2.99 1.01 -1.26 -3.03 121.20 125.43 3kc4 s ILE 48 Ca 0.26 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.64 3kc4 s ILE 48 Cb -0.08 -4.28 0.15 0.00 0.01 0.00 0.00 42.46 38.27 3kc4 s ILE 48 CO -0.08 -0.74 1.53 0.00 0.00 0.00 0.00 174.94 175.64 3kc4 n ALA 49 N 6.35 3.94 -1.77 9.38 0.00 -0.46 -4.27 120.51 133.68 3kc4 n ALA 49 Ca -0.03 -4.18 -0.38 0.00 0.00 0.00 0.00 53.44 48.84 3kc4 n ALA 49 Cb 0.47 -3.15 -0.00 0.00 0.00 0.00 0.00 19.45 16.77 3kc4 n ALA 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kc4 s VAL 50 N 1.94 2.83 0.69 0.00 -7.23 -1.15 -2.98 120.40 114.50 3kc4 s VAL 50 Ca 0.45 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 61.32 3kc4 s VAL 50 Cb -0.01 -3.37 0.13 0.00 0.56 0.00 0.00 36.38 33.69 3kc4 s VAL 50 CO 0.01 0.05 0.95 -2.28 -0.31 0.00 0.00 175.10 173.53 3kc4 s HIS 51 N -1.39 1.37 0.00 2.82 2.46 -1.20 -0.44 115.29 118.92 3kc4 s HIS 51 Ca 0.61 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.68 3kc4 s HIS 51 Cb -0.34 -2.76 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 3kc4 s HIS 51 CO 0.42 -1.63 0.00 0.27 -2.47 0.00 0.00 174.74 171.33 3kc4 n ASN 52 N -2.70 0.00 0.00 9.88 0.23 -0.69 -4.66 115.26 117.31 3kc4 n ASN 52 Ca 0.16 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 3kc4 n ASN 52 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 3kc4 n ASN 52 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kc4 n GLY 53 N 0.00 1.31 0.00 4.83 0.00 -1.26 -4.88 105.19 105.19 3kc4 n GLY 53 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kc4 n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kc4 n ARG 54 N 0.00 3.51 -3.86 1.61 0.63 -1.26 -5.10 116.66 112.19 3kc4 n ARG 54 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3kc4 n ARG 54 Cb 0.00 -0.69 -0.03 0.00 0.45 0.00 0.00 32.46 32.19 3kc4 n ARG 54 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 3kc4 s GLN 55 N -0.81 1.64 0.02 -0.14 -2.07 -1.26 -5.19 119.66 111.85 3kc4 s GLN 55 Ca 0.00 -1.02 0.06 0.00 -1.82 0.00 0.00 55.36 52.57 3kc4 s GLN 55 Cb 0.00 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.46 3kc4 s GLN 55 CO 0.00 -0.73 -0.17 -1.01 -1.32 0.00 0.00 175.29 172.06 3kc4 s HIS 56 N -3.93 1.49 -0.05 9.60 3.76 -1.26 -1.71 115.29 123.18 3kc4 s HIS 56 Ca 0.13 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 3kc4 s HIS 56 Cb -0.04 -0.92 0.02 0.00 1.11 0.00 0.00 32.58 32.75 3kc4 s HIS 56 CO 0.05 0.02 -0.07 0.08 -0.85 0.00 0.00 174.74 173.97 3kc4 s VAL 57 N -0.62 0.78 -0.12 -0.90 1.01 0.42 -4.95 120.40 116.01 3kc4 s VAL 57 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 3kc4 s VAL 57 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3kc4 s VAL 57 CO 0.01 0.28 0.15 -2.16 0.00 0.00 0.00 175.10 173.37 3kc4 s PRO 58 N 0.85 3.49 -0.19 2.72 0.04 -1.26 -2.93 135.00 137.72 3kc4 s PRO 58 Ca -0.12 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.81 3kc4 s PRO 58 Cb -0.15 -3.20 0.05 0.00 0.04 0.00 0.00 34.50 31.24 3kc4 s PRO 58 CO 0.01 0.76 -0.06 0.08 0.04 0.00 0.00 177.00 177.83 3kc4 s VAL 59 N -0.98 1.33 -1.07 -0.36 1.01 -1.26 -5.02 120.40 114.05 3kc4 s VAL 59 Ca 0.15 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3kc4 s VAL 59 Cb -0.12 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 3kc4 s VAL 59 CO 0.04 0.07 1.98 0.33 0.00 0.00 0.00 175.10 177.52 3kc4 n PHE 60 N 4.78 2.75 -0.96 5.22 7.35 -1.26 -4.25 117.46 131.10 3kc4 n PHE 60 Ca -0.13 -2.14 -0.31 0.00 -0.76 0.00 0.00 57.45 54.12 3kc4 n PHE 60 Cb 0.46 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 38.11 3kc4 n PHE 60 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 3kc4 n VAL 61 N 6.17 0.33 -3.97 -2.13 0.24 -1.26 -5.00 118.33 112.70 3kc4 n VAL 61 Ca 0.49 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 62.32 3kc4 n VAL 61 Cb 0.42 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 3kc4 n VAL 61 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3kc4 s THR 62 N -1.33 0.00 -0.54 3.34 -1.32 -1.26 -3.43 115.64 111.10 3kc4 s THR 62 Ca 0.44 -1.33 0.23 0.00 -1.21 0.00 0.00 61.69 59.81 3kc4 s THR 62 Cb -0.44 -2.34 0.24 0.00 -1.51 0.00 0.00 72.50 68.44 3kc4 s THR 62 CO 0.48 0.00 1.69 -0.67 -2.21 0.00 0.00 174.62 173.91 3kc4 n ASP 63 N -0.71 0.62 -0.68 8.08 4.64 -1.26 -0.56 116.55 126.68 3kc4 n ASP 63 Ca -0.02 0.65 0.08 0.00 -1.38 0.00 0.00 54.79 54.11 3kc4 n ASP 63 Cb 0.61 -0.78 0.21 0.00 -1.04 0.00 0.00 41.12 40.12 3kc4 n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3kc4 n GLU 64 N -2.17 2.66 -0.17 -0.67 -0.58 -1.26 -4.02 120.64 114.43 3kc4 n GLU 64 Ca 0.02 -2.60 0.10 0.00 -0.42 0.00 0.00 57.16 54.26 3kc4 n GLU 64 Cb 0.24 -1.65 0.17 0.00 -0.57 0.00 0.00 31.44 29.62 3kc4 n GLU 64 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3kc4 n MET 65 N -0.48 1.67 0.13 3.49 2.81 0.27 -4.57 117.12 120.45 3kc4 n MET 65 Ca 0.18 -2.66 0.12 0.00 -1.81 0.00 0.00 57.70 53.53 3kc4 n MET 65 Cb 0.74 -1.59 0.49 0.00 -0.71 0.00 0.00 33.22 32.15 3kc4 n MET 65 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3kc4 n VAL 66 N -1.22 0.79 0.07 2.03 0.24 -1.11 -1.85 118.33 117.29 3kc4 n VAL 66 Ca 0.17 0.17 -0.04 0.00 -2.04 0.00 0.00 64.34 62.61 3kc4 n VAL 66 Cb 0.70 -1.10 0.13 0.00 -1.47 0.00 0.00 33.84 32.11 3kc4 n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kc4 n GLY 67 N 0.15 2.63 3.22 7.63 0.00 -1.26 -4.65 105.19 112.91 3kc4 n GLY 67 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 3kc4 n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kc4 s HIS 68 N -1.64 1.04 -0.05 1.61 3.76 -0.77 -5.17 115.29 114.06 3kc4 s HIS 68 Ca 0.25 -1.30 -0.04 0.00 -0.15 0.00 0.00 55.06 53.82 3kc4 s HIS 68 Cb 0.20 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 33.42 3kc4 s HIS 68 CO 0.06 -0.65 0.14 0.15 -0.85 0.00 0.00 174.74 173.59 3kc4 s LYS 69 N -4.13 0.14 0.19 1.40 -0.14 -1.26 -4.18 119.74 111.76 3kc4 s LYS 69 Ca 0.35 0.22 -0.13 0.00 -1.36 0.00 0.00 55.97 55.06 3kc4 s LYS 69 Cb 0.06 0.02 0.10 0.00 -1.68 0.00 0.00 37.83 36.34 3kc4 s LYS 69 CO 0.10 -0.05 1.85 -0.07 -0.76 0.00 0.00 175.35 176.42 3kc4 h LEU 70 N 6.21 0.69 -1.03 3.17 3.38 -1.87 -3.22 115.31 122.63 3kc4 h LEU 70 Ca -0.29 -0.02 0.22 0.00 0.09 0.00 0.00 57.88 57.89 3kc4 h LEU 70 Cb 1.19 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 3kc4 h LEU 70 CO 0.42 0.50 0.61 1.23 0.09 0.00 0.00 178.44 181.29 3kc4 h GLY 71 N 0.81 1.81 2.00 0.83 0.00 -1.74 -1.53 103.07 105.26 3kc4 h GLY 71 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kc4 h GLY 71 CO -0.05 -0.16 -0.00 0.83 0.00 0.00 0.00 176.54 177.16 3kc4 h GLU 72 N 0.65 0.00 -0.48 4.80 5.08 -1.86 -1.22 114.58 121.55 3kc4 h GLU 72 Ca 0.61 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.88 3kc4 h GLU 72 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3kc4 h GLU 72 CO -0.42 0.00 0.08 1.19 -1.00 0.00 0.00 179.01 178.86 3kc4 n PHE 73 N -3.36 1.64 -4.41 4.33 3.01 -0.57 -4.49 117.46 113.61 3kc4 n PHE 73 Ca -0.03 -1.04 -0.27 0.00 1.01 0.00 0.00 57.45 57.12 3kc4 n PHE 73 Cb 0.08 -0.49 -0.12 0.00 -0.01 0.00 0.00 39.48 38.94 3kc4 n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kc4 s ALA 74 N -2.93 2.56 0.19 4.37 0.00 -0.46 -4.46 121.76 121.03 3kc4 s ALA 74 Ca 0.49 -1.63 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 3kc4 s ALA 74 Cb 0.39 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 3kc4 s ALA 74 CO 0.10 0.44 1.09 -1.25 0.00 0.00 0.00 175.76 176.14 3kc4 s PRO 75 N -2.66 4.62 0.16 0.00 0.04 -1.26 -4.91 135.00 130.98 3kc4 s PRO 75 Ca 0.21 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 3kc4 s PRO 75 Cb -0.08 -3.27 0.04 0.00 0.04 0.00 0.00 34.50 31.23 3kc4 s PRO 75 CO 0.10 0.12 1.77 1.79 0.04 0.00 0.00 177.00 180.82 3kc4 h THR 76 N 3.61 1.17 -3.39 1.26 1.35 -1.86 -3.44 112.91 111.61 3kc4 h THR 76 Ca -0.45 -0.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 3kc4 h THR 76 Cb 1.21 0.57 -0.10 0.00 -1.73 0.00 0.00 68.15 68.10 3kc4 h THR 76 CO 0.71 0.18 -0.01 0.00 -0.25 0.00 0.00 175.52 176.15 3kc4 s ARG 77 N -5.86 1.40 0.12 4.72 1.70 -1.26 -5.04 118.95 114.72 3kc4 s ARG 77 Ca -0.13 -0.95 -0.13 0.00 -0.47 0.00 0.00 55.73 54.05 3kc4 s ARG 77 Cb 0.11 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.94 3kc4 s ARG 77 CO 0.75 -0.59 0.50 0.99 -1.08 0.00 0.00 175.30 175.87 3kc4 s THR 78 N -3.90 4.94 0.31 4.99 2.01 -1.26 -5.08 115.64 117.65 3kc4 s THR 78 Ca 0.11 0.72 -0.16 0.00 0.31 0.00 0.00 61.69 62.67 3kc4 s THR 78 Cb -0.01 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.82 3kc4 s THR 78 CO -0.01 0.28 0.67 -0.47 -0.69 0.00 0.00 174.62 174.40 3kc4 s TYR 79 N -1.42 0.13 -2.36 4.92 5.04 -1.26 -5.25 117.35 117.15 3kc4 s TYR 79 Ca 0.36 -0.62 0.29 0.00 -2.44 0.00 0.00 57.07 54.66 3kc4 s TYR 79 Cb -0.15 0.58 1.30 0.00 0.35 0.00 0.00 41.96 44.04 3kc4 s TYR 79 CO 0.19 -1.29 1.88 2.89 -1.34 0.00 0.00 175.55 177.88