#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp0 h PHE 7 N 0.00 0.43 -0.18 -0.67 3.57 -2.05 -1.96 116.94 116.08 3kp0 h PHE 7 Ca 0.00 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.30 3kp0 h PHE 7 Cb 0.00 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3kp0 h PHE 7 CO 0.00 0.50 -0.51 1.96 -2.23 0.00 0.00 178.31 178.03 3kp0 h GLN 8 N 0.38 0.51 0.29 1.11 1.08 -2.06 -0.74 115.11 115.69 3kp0 h GLN 8 Ca 0.08 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 3kp0 h GLN 8 Cb 0.41 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3kp0 h GLN 8 CO 0.02 0.90 -0.14 0.37 -0.95 0.00 0.00 178.83 179.04 3kp0 h GLN 9 N 0.40 -0.37 -0.91 1.46 4.15 -1.98 -3.28 115.11 114.57 3kp0 h GLN 9 Ca 0.02 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.48 3kp0 h GLN 9 Cb 1.04 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.76 3kp0 h GLN 9 CO 0.09 -0.18 0.60 0.00 -1.93 0.00 0.00 178.83 177.42 3kp0 h ARG 10 N -0.49 1.15 0.00 1.69 2.47 -1.24 -2.68 114.38 115.28 3kp0 h ARG 10 Ca -0.04 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3kp0 h ARG 10 Cb 0.37 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3kp0 h ARG 10 CO 0.06 0.76 0.00 2.89 0.56 0.00 0.00 179.97 184.25 3kp0 n ARG 11 N -4.48 0.68 -0.16 0.04 1.85 -0.29 -4.26 116.66 110.03 3kp0 n ARG 11 Ca 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.89 3kp0 n ARG 11 Cb 0.06 -1.25 -0.01 0.00 -1.05 0.00 0.00 32.46 30.21 3kp0 n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kp0 h ALA 12 N 2.85 -0.16 -0.06 2.89 0.00 -1.59 -2.74 119.26 120.46 3kp0 h ALA 12 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kp0 h ALA 12 Cb 0.00 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kp0 h ALA 12 CO 0.00 -0.73 0.00 -2.39 0.00 0.00 0.00 179.25 176.13 3kp0 n HIS 13 N -5.42 0.07 -0.04 0.00 1.44 -1.26 -3.15 115.22 106.85 3kp0 n HIS 13 Ca 0.02 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3kp0 n HIS 13 Cb 0.35 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.34 3kp0 n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kp0 n LEU 14 N 0.02 0.00 -0.37 2.39 4.77 -1.06 -4.61 117.00 118.14 3kp0 n LEU 14 Ca 0.18 0.00 0.28 0.00 -0.03 0.00 0.00 56.01 56.44 3kp0 n LEU 14 Cb 0.30 0.18 0.54 0.00 -2.33 0.00 0.00 43.42 42.11 3kp0 n LEU 14 CO 0.15 0.18 1.19 0.00 -1.33 0.00 0.00 177.39 177.57 3kp0 h ALA 15 N 1.04 2.29 -0.47 -1.18 0.00 -1.44 0.88 119.26 120.37 3kp0 h ALA 15 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kp0 h ALA 15 Cb 1.29 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3kp0 h ALA 15 CO 0.01 -0.84 0.00 0.09 0.00 0.00 0.00 179.25 178.51 3kp0 n ASN 16 N -4.81 3.66 -4.74 0.00 5.03 -1.26 -4.93 115.26 108.21 3kp0 n ASN 16 Ca 0.32 -2.25 -0.41 0.00 0.87 0.00 0.00 54.58 53.10 3kp0 n ASN 16 Cb 1.09 -0.40 -0.04 0.00 -1.02 0.00 0.00 39.78 39.42 3kp0 n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kp0 s LEU 17 N -1.46 4.47 0.61 3.41 1.43 0.30 -5.04 118.68 122.40 3kp0 s LEU 17 Ca 0.37 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.53 3kp0 s LEU 17 Cb 0.22 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3kp0 s LEU 17 CO 0.20 -0.31 1.03 -0.94 0.23 0.00 0.00 176.35 176.55 3kp0 s SER 18 N 0.01 6.14 0.26 2.29 1.04 -1.26 -4.76 113.70 117.42 3kp0 s SER 18 Ca 0.51 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.44 3kp0 s SER 18 Cb -0.31 -2.49 0.56 0.00 0.10 0.00 0.00 66.02 63.88 3kp0 s SER 18 CO 0.36 -0.93 1.71 0.44 0.98 0.00 0.00 173.24 175.80 3kp0 h ASP 19 N -0.10 0.26 -0.73 7.02 3.32 -1.98 0.41 116.42 124.62 3kp0 h ASP 19 Ca -0.45 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3kp0 h ASP 19 Cb 1.19 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 3kp0 h ASP 19 CO 0.61 0.05 0.37 -0.33 -1.72 0.00 0.00 179.24 178.21 3kp0 h GLU 20 N 0.41 1.06 -0.27 3.56 3.07 -1.99 -1.18 114.58 119.24 3kp0 h GLU 20 Ca 0.47 -0.14 -0.18 0.00 -0.50 0.00 0.00 59.36 59.01 3kp0 h GLU 20 Cb 0.79 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3kp0 h GLU 20 CO -0.47 0.80 -0.55 0.93 -1.40 0.00 0.00 179.01 178.33 3kp0 h GLU 21 N 1.05 0.82 -0.40 2.33 5.08 -0.95 -1.53 114.58 120.97 3kp0 h GLU 21 Ca 0.26 -0.52 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 3kp0 h GLU 21 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3kp0 h GLU 21 CO -0.04 1.15 -0.35 1.25 -1.00 0.00 0.00 179.01 180.02 3kp0 h LEU 22 N 0.63 1.01 -0.07 1.33 5.85 -0.19 -0.55 115.31 123.32 3kp0 h LEU 22 Ca 0.01 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3kp0 h LEU 22 Cb 1.15 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3kp0 h LEU 22 CO 0.12 1.25 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.85 3kp0 h GLN 23 N 0.78 0.12 0.00 1.25 4.15 -1.28 -2.13 115.11 118.00 3kp0 h GLN 23 Ca 0.07 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 3kp0 h GLN 23 Cb 0.95 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3kp0 h GLN 23 CO 0.09 0.42 -0.23 1.79 -1.93 0.00 0.00 178.83 178.97 3kp0 h THR 24 N -0.18 0.97 -0.06 2.39 1.35 -1.17 -2.00 112.91 114.20 3kp0 h THR 24 Ca 0.02 -0.85 -0.22 0.00 -0.55 0.00 0.00 66.41 64.81 3kp0 h THR 24 Cb 0.37 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3kp0 h THR 24 CO 0.00 0.23 -0.85 -0.09 -0.25 0.00 0.00 175.52 174.56 3kp0 h ARG 25 N 0.00 0.53 -0.85 4.72 2.43 -1.08 -0.55 114.38 119.58 3kp0 h ARG 25 Ca -0.00 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 3kp0 h ARG 25 Cb 0.47 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3kp0 h ARG 25 CO 0.03 1.12 0.41 0.35 -1.51 0.00 0.00 179.97 180.37 3kp0 h PHE 26 N 0.33 1.22 0.00 2.20 3.57 -0.69 -2.23 116.94 121.34 3kp0 h PHE 26 Ca -0.06 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.29 3kp0 h PHE 26 Cb 1.46 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3kp0 h PHE 26 CO 0.07 0.88 -0.80 -1.49 -2.23 0.00 0.00 178.31 174.74 3kp0 h TRP 27 N 1.21 0.00 -0.34 0.41 4.06 -1.41 -2.41 115.95 117.47 3kp0 h TRP 27 Ca 0.29 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.13 3kp0 h TRP 27 Cb 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 3kp0 h TRP 27 CO 0.01 0.37 -0.26 1.49 -3.56 0.00 0.00 178.44 176.50 3kp0 h GLU 28 N 0.00 0.68 0.15 0.49 4.57 -0.85 -1.87 114.58 117.76 3kp0 h GLU 28 Ca -0.05 -0.28 -0.32 0.00 -1.18 0.00 0.00 59.36 57.53 3kp0 h GLU 28 Cb 1.33 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3kp0 h GLU 28 CO 0.04 0.87 -1.64 0.52 -1.18 0.00 0.00 179.01 177.62 3kp0 h MET 29 N 0.59 0.32 -0.91 1.92 2.86 -1.48 -3.13 114.93 115.10 3kp0 h MET 29 Ca 0.08 -0.55 0.26 0.00 -2.06 0.00 0.00 59.70 57.43 3kp0 h MET 29 Cb 0.75 0.20 -0.16 0.00 0.06 0.00 0.00 31.60 32.45 3kp0 h MET 29 CO 0.06 1.26 0.20 0.00 1.06 0.00 0.00 176.91 179.49 3kp0 h ALA 30 N 0.04 1.31 -0.59 6.32 0.00 -1.46 -0.03 119.26 124.86 3kp0 h ALA 30 Ca -0.34 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3kp0 h ALA 30 Cb 1.95 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 3kp0 h ALA 30 CO 0.12 -0.54 0.06 1.49 0.00 0.00 0.00 179.25 180.38 3kp0 h GLU 31 N 0.13 0.99 0.00 0.00 4.81 -1.36 -2.66 114.58 116.50 3kp0 h GLU 31 Ca 0.59 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3kp0 h GLU 31 Cb 1.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3kp0 h GLU 31 CO -0.73 0.96 -0.21 0.87 -0.73 0.00 0.00 179.01 179.16 3kp0 h LYS 32 N 0.89 0.00 0.09 1.92 1.57 -1.02 -2.17 116.57 117.85 3kp0 h LYS 32 Ca 0.17 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.69 3kp0 h LYS 32 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3kp0 h LYS 32 CO 0.02 0.21 -1.16 0.82 -0.57 0.00 0.00 179.45 178.77 3kp0 h ILE 33 N 0.00 1.44 0.00 1.86 2.04 -0.88 -3.32 117.51 118.65 3kp0 h ILE 33 Ca -0.00 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.07 3kp0 h ILE 33 Cb 0.78 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3kp0 h ILE 33 CO 0.03 0.82 -0.43 -0.37 0.00 0.00 0.00 178.15 178.20 3kp0 h VAL 34 N 0.14 0.00 -0.02 1.67 -1.51 -1.24 -3.39 116.25 111.91 3kp0 h VAL 34 Ca -0.13 -0.87 0.01 0.00 -1.23 0.00 0.00 66.70 64.49 3kp0 h VAL 34 Cb 1.85 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 32.63 3kp0 h VAL 34 CO 0.20 0.00 -0.04 0.44 -1.23 0.00 0.00 177.57 176.94 3kp0 h ASP 35 N 0.00 -0.12 -0.55 4.19 3.32 -1.50 -0.99 116.42 120.77 3kp0 h ASP 35 Ca 0.00 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.20 3kp0 h ASP 35 Cb 0.93 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3kp0 h ASP 35 CO 0.00 -0.06 0.38 -0.65 -1.72 0.00 0.00 179.24 177.19 3kp0 h PRO 36 N -0.06 0.19 -0.46 3.56 0.11 -1.77 -0.32 132.00 133.23 3kp0 h PRO 36 Ca 0.02 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 3kp0 h PRO 36 Cb 0.10 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3kp0 h PRO 36 CO -0.06 0.13 0.06 -0.07 -0.21 0.00 0.00 178.00 177.85 3kp0 h LEU 37 N 0.20 0.75 -0.58 2.35 3.38 -1.44 -1.90 115.31 118.07 3kp0 h LEU 37 Ca 0.26 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3kp0 h LEU 37 Cb 0.76 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kp0 h LEU 37 CO -0.04 0.84 -0.35 -0.07 0.09 0.00 0.00 178.44 178.90 3kp0 h LEU 38 N 0.64 0.78 -0.39 1.67 3.38 -0.02 -2.27 115.31 119.11 3kp0 h LEU 38 Ca 0.14 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3kp0 h LEU 38 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kp0 h LEU 38 CO 0.01 1.06 0.07 -0.78 0.09 0.00 0.00 178.44 178.90 3kp0 h ASP 39 N 0.62 0.61 -0.86 -0.43 3.58 -1.03 -0.62 116.42 118.28 3kp0 h ASP 39 Ca 0.06 -0.25 0.17 0.00 0.42 0.00 0.00 57.03 57.43 3kp0 h ASP 39 Cb 0.89 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.71 3kp0 h ASP 39 CO 0.08 0.70 0.56 -0.07 -2.88 0.00 0.00 179.24 177.63 3kp0 h LEU 40 N 0.49 0.48 -0.74 2.28 3.38 -1.16 0.25 115.31 120.28 3kp0 h LEU 40 Ca 0.12 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3kp0 h LEU 40 Cb 0.35 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kp0 h LEU 40 CO 0.01 0.22 -0.60 1.23 0.09 0.00 0.00 178.44 179.39 3kp0 h GLY 41 N 0.50 0.09 1.21 0.83 0.00 -0.57 -3.15 103.07 101.98 3kp0 h GLY 41 Ca 0.44 -0.11 -0.26 0.00 0.00 0.00 0.00 47.33 47.39 3kp0 h GLY 41 CO -0.17 0.10 -1.03 0.50 0.00 0.00 0.00 176.54 175.94 3kp0 h LYS 42 N 0.06 0.72 -0.03 4.80 1.57 0.25 -3.36 116.57 120.58 3kp0 h LYS 42 Ca -0.01 -0.76 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 3kp0 h LYS 42 Cb 1.08 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3kp0 h LYS 42 CO 0.08 1.33 0.00 1.63 -0.57 0.00 0.00 179.45 181.92 3kp0 n LYS 43 N -3.86 2.09 -4.22 3.15 5.02 -0.85 -4.98 118.16 114.51 3kp0 n LYS 43 Ca -0.11 -1.58 -0.13 0.00 -2.02 0.00 0.00 58.31 54.47 3kp0 n LYS 43 Cb 0.87 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.32 3kp0 n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kp0 s ASN 44 N -2.00 1.03 0.18 4.39 0.01 -1.19 -5.10 114.94 112.26 3kp0 s ASN 44 Ca 0.32 -1.18 -0.00 0.00 -0.71 0.00 0.00 52.86 51.29 3kp0 s ASN 44 Cb 0.20 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 3kp0 s ASN 44 CO 0.31 -0.60 0.07 0.28 -1.51 0.00 0.00 177.10 175.66 3kp0 s THR 45 N -3.73 0.28 0.13 1.60 -1.32 -1.26 -4.86 115.64 106.47 3kp0 s THR 45 Ca 0.24 -1.96 -0.03 0.00 -1.21 0.00 0.00 61.69 58.72 3kp0 s THR 45 Cb 0.06 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 68.73 3kp0 s THR 45 CO 0.03 -0.26 0.09 0.42 -2.21 0.00 0.00 174.62 172.69 3kp0 s THR 46 N -3.94 0.11 0.22 5.08 -4.23 -1.26 -5.06 115.64 106.56 3kp0 s THR 46 Ca 0.31 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3kp0 s THR 46 Cb 0.07 -1.95 0.18 0.00 1.34 0.00 0.00 72.50 72.14 3kp0 s THR 46 CO 0.07 -0.49 1.73 -0.65 -0.54 0.00 0.00 174.62 174.75 3kp0 h PRO 47 N 2.83 0.39 -0.36 3.99 0.11 -1.98 0.16 132.00 137.15 3kp0 h PRO 47 Ca -0.34 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.64 3kp0 h PRO 47 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kp0 h PRO 47 CO 0.58 0.26 -0.22 0.66 -0.21 0.00 0.00 178.00 179.07 3kp0 h SER 48 N 0.41 0.70 0.19 -2.05 4.64 -1.98 0.38 113.55 115.83 3kp0 h SER 48 Ca 0.36 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3kp0 h SER 48 Cb 0.50 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kp0 h SER 48 CO -0.36 0.90 -0.09 0.40 -0.87 0.00 0.00 176.83 176.81 3kp0 h ILE 49 N 0.61 0.90 -0.72 0.95 2.04 -1.81 -0.98 117.51 118.50 3kp0 h ILE 49 Ca 0.09 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3kp0 h ILE 49 Cb 0.70 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 3kp0 h ILE 49 CO 0.05 0.10 0.39 -0.33 0.00 0.00 0.00 178.15 178.36 3kp0 h GLU 50 N -0.45 0.68 -0.80 2.37 4.39 -0.78 -1.20 114.58 118.79 3kp0 h GLU 50 Ca -0.03 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3kp0 h GLU 50 Cb 0.35 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3kp0 h GLU 50 CO 0.04 0.45 0.50 0.00 -1.16 0.00 0.00 179.01 178.84 3kp0 h ARG 51 N 0.70 1.08 -0.25 2.33 3.08 -0.09 -2.54 114.38 118.70 3kp0 h ARG 51 Ca 0.33 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 3kp0 h ARG 51 Cb 0.26 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kp0 h ARG 51 CO -0.21 0.75 -0.27 0.66 -1.07 0.00 0.00 179.97 179.83 3kp0 h SER 52 N 1.10 0.49 -0.73 7.04 4.64 -0.04 -0.55 113.55 125.50 3kp0 h SER 52 Ca 0.29 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 3kp0 h SER 52 Cb -0.06 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 3kp0 h SER 52 CO -0.06 0.75 0.20 0.58 -0.87 0.00 0.00 176.83 177.44 3kp0 h VAL 53 N 0.43 1.26 -0.22 0.95 2.07 -0.95 -2.24 116.25 117.55 3kp0 h VAL 53 Ca 0.06 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3kp0 h VAL 53 Cb 0.70 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3kp0 h VAL 53 CO 0.05 0.37 -0.01 -0.07 0.02 0.00 0.00 177.57 177.93 3kp0 h LEU 54 N 1.09 0.39 -0.71 2.57 3.38 -1.04 -2.32 115.31 118.68 3kp0 h LEU 54 Ca 0.23 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 58.01 3kp0 h LEU 54 Cb 0.34 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3kp0 h LEU 54 CO -0.00 0.62 0.26 -0.07 0.09 0.00 0.00 178.44 179.33 3kp0 h LEU 55 N 0.16 0.22 -1.97 1.67 3.38 -0.88 0.68 115.31 118.57 3kp0 h LEU 55 Ca 0.06 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kp0 h LEU 55 Cb 0.42 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kp0 h LEU 55 CO 0.01 0.09 -0.04 0.03 0.09 0.00 0.00 178.44 178.62 3kp0 h ARG 56 N 0.41 0.00 -0.02 1.13 3.08 -1.20 -2.33 114.38 115.45 3kp0 h ARG 56 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3kp0 h ARG 56 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3kp0 h ARG 56 CO -0.39 0.04 0.00 -0.12 -1.07 0.00 0.00 179.97 178.43 3kp0 n MET 57 N -3.22 1.67 -0.02 0.04 1.56 0.23 -4.89 117.12 112.50 3kp0 n MET 57 Ca -0.01 -0.97 0.00 0.00 -0.27 0.00 0.00 57.70 56.45 3kp0 n MET 57 Cb 0.23 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.12 3kp0 n MET 57 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3kp0 n GLY 58 N 1.18 1.72 3.63 -5.12 0.00 -0.84 -4.89 105.19 100.86 3kp0 n GLY 58 Ca 0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3kp0 n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kp0 s PHE 59 N -2.00 2.86 0.67 1.61 0.08 -0.95 -5.02 117.98 115.23 3kp0 s PHE 59 Ca 0.00 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 3kp0 s PHE 59 Cb 0.00 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3kp0 s PHE 59 CO 0.00 0.44 1.06 -1.54 -0.10 0.00 0.00 175.22 175.09 3kp0 s SER 60 N -2.15 5.79 0.28 1.36 1.04 -1.26 -4.15 113.70 114.61 3kp0 s SER 60 Ca 0.23 1.29 -0.01 0.00 0.48 0.00 0.00 55.95 57.93 3kp0 s SER 60 Cb -0.11 -2.20 0.45 0.00 0.10 0.00 0.00 66.02 64.25 3kp0 s SER 60 CO 0.15 -1.14 1.90 0.77 0.98 0.00 0.00 173.24 175.90 3kp0 h SER 61 N -0.51 1.00 -0.33 7.02 4.64 -1.98 0.20 113.55 123.57 3kp0 h SER 61 Ca -0.44 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 3kp0 h SER 61 Cb 1.22 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3kp0 h SER 61 CO 0.63 0.64 0.06 -0.07 -0.87 0.00 0.00 176.83 177.21 3kp0 h LEU 62 N 1.13 0.53 -0.36 5.97 3.38 -2.00 -1.97 115.31 121.99 3kp0 h LEU 62 Ca 0.42 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 3kp0 h LEU 62 Cb 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kp0 h LEU 62 CO -0.16 0.65 -0.42 -0.33 0.09 0.00 0.00 178.44 178.27 3kp0 h GLU 63 N 0.39 0.91 -0.68 1.13 5.08 -1.81 -3.14 114.58 116.46 3kp0 h GLU 63 Ca 0.10 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3kp0 h GLU 63 Cb 0.34 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3kp0 h GLU 63 CO 0.01 1.15 0.41 0.00 -1.00 0.00 0.00 179.01 179.58 3kp0 h ALA 64 N 0.74 0.87 -0.20 3.43 0.00 -0.56 -2.51 119.26 121.04 3kp0 h ALA 64 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kp0 h ALA 64 Cb 1.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3kp0 h ALA 64 CO 0.10 0.34 -0.06 -0.22 0.00 0.00 0.00 179.25 179.41 3kp0 h LYS 65 N 0.93 -0.02 -0.84 0.00 3.64 -1.35 -2.28 116.57 116.65 3kp0 h LYS 65 Ca 0.25 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3kp0 h LYS 65 Cb -0.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3kp0 h LYS 65 CO -0.05 -0.01 0.56 0.00 -2.27 0.00 0.00 179.45 177.68 3kp0 h ALA 66 N 1.17 1.40 -0.19 5.00 0.00 -1.43 0.26 119.26 125.46 3kp0 h ALA 66 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kp0 h ALA 66 Cb 0.17 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kp0 h ALA 66 CO -0.21 0.56 -0.16 0.82 0.00 0.00 0.00 179.25 180.26 3kp0 h ILE 67 N 1.14 1.33 -0.13 0.00 2.04 -1.18 -1.49 117.51 119.23 3kp0 h ILE 67 Ca 0.31 -1.29 -0.16 0.00 1.00 0.00 0.00 64.86 64.72 3kp0 h ILE 67 Cb -0.13 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3kp0 h ILE 67 CO -0.07 0.39 -0.60 0.58 0.00 0.00 0.00 178.15 178.45 3kp0 h VAL 68 N 0.12 1.35 -0.83 1.67 2.07 -1.25 0.72 116.25 120.09 3kp0 h VAL 68 Ca 0.04 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 3kp0 h VAL 68 Cb 0.68 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3kp0 h VAL 68 CO 0.04 0.58 0.38 0.44 0.02 0.00 0.00 177.57 179.03 3kp0 h ASP 69 N 0.32 1.10 0.03 0.57 3.32 -0.48 -1.90 116.42 119.39 3kp0 h ASP 69 Ca -0.00 -0.15 -0.24 0.00 0.02 0.00 0.00 57.03 56.66 3kp0 h ASP 69 Cb 1.13 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.42 3kp0 h ASP 69 CO 0.10 0.95 -0.94 0.11 -1.72 0.00 0.00 179.24 177.74 3kp0 h LYS 70 N 1.19 0.58 -0.81 3.56 1.57 -1.03 -3.21 116.57 118.42 3kp0 h LYS 70 Ca 0.28 -0.67 0.16 0.00 -1.87 0.00 0.00 60.65 58.56 3kp0 h LYS 70 Cb 0.15 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 3kp0 h LYS 70 CO -0.03 1.27 0.34 1.15 -0.57 0.00 0.00 179.45 181.61 3kp0 h THR 71 N 0.18 0.61 -0.24 -0.16 2.02 0.56 -1.74 112.91 114.13 3kp0 h THR 71 Ca -0.13 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3kp0 h THR 71 Cb 1.63 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3kp0 h THR 71 CO 0.18 0.08 -0.17 0.24 0.37 0.00 0.00 175.52 176.23 3kp0 h MET 72 N 0.45 0.42 0.16 6.66 2.86 -1.41 -0.73 114.93 123.34 3kp0 h MET 72 Ca 0.46 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 3kp0 h MET 72 Cb 0.74 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3kp0 h MET 72 CO -0.44 0.58 -0.08 -0.44 1.06 0.00 0.00 176.91 177.60 3kp0 h ASP 73 N 0.39 -0.18 0.00 1.22 5.19 -1.34 -2.72 116.42 118.98 3kp0 h ASP 73 Ca 0.07 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3kp0 h ASP 73 Cb 0.52 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3kp0 h ASP 73 CO 0.03 0.04 0.00 0.54 -3.12 0.00 0.00 179.24 176.73 3kp0 n ARG 74 N -5.10 0.82 -3.51 3.56 5.12 -0.95 -4.89 116.66 111.71 3kp0 n ARG 74 Ca -0.09 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.64 3kp0 n ARG 74 Cb 0.18 -1.24 0.08 0.00 -1.16 0.00 0.00 32.46 30.31 3kp0 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kp0 n GLY 75 N 0.48 -0.38 0.37 -0.13 0.00 -1.03 -4.94 105.19 99.55 3kp0 n GLY 75 Ca 0.10 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.28 3kp0 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kp0 n LEU 76 N -4.31 2.27 -0.31 0.99 4.32 -0.31 -4.70 117.00 114.95 3kp0 n LEU 76 Ca -0.23 -1.67 0.06 0.00 -0.02 0.00 0.00 56.01 54.14 3kp0 n LEU 76 Cb 0.65 -0.10 0.22 0.00 -1.62 0.00 0.00 43.42 42.57 3kp0 n LEU 76 CO 0.63 0.54 1.15 0.24 -1.22 0.00 0.00 177.39 178.74 3kp0 h MET 77 N 1.32 0.75 -0.12 3.23 2.86 -1.92 -1.80 114.93 119.26 3kp0 h MET 77 Ca 0.00 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3kp0 h MET 77 Cb 0.53 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 3kp0 h MET 77 CO 0.00 0.50 0.21 0.78 1.06 0.00 0.00 176.91 179.46 3kp0 h GLY 78 N 0.78 0.00 1.18 8.32 0.00 -1.96 0.28 103.07 111.66 3kp0 h GLY 78 Ca 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 3kp0 h GLY 78 CO -0.30 0.00 -1.21 0.50 0.00 0.00 0.00 176.54 175.53 3kp0 h LYS 79 N 0.00 0.00 0.00 4.80 1.79 -1.69 -3.50 116.57 117.97 3kp0 h LYS 79 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3kp0 h LYS 79 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3kp0 h LYS 79 CO -0.00 0.30 0.00 0.41 -1.08 0.00 0.00 179.45 179.08 3kp0 n GLY 80 N 1.35 1.71 0.21 3.86 0.00 0.09 -4.68 105.19 107.72 3kp0 n GLY 80 Ca -0.07 -1.30 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 3kp0 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp0 h ALA 81 N 0.00 0.96 0.00 4.61 0.00 -1.84 -0.93 119.26 122.06 3kp0 h ALA 81 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3kp0 h ALA 81 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kp0 h ALA 81 CO 0.00 0.63 -0.16 0.78 0.00 0.00 0.00 179.25 180.49 3kp0 h GLY 82 N 1.15 0.00 1.17 0.00 0.00 -1.92 -2.92 103.07 100.55 3kp0 h GLY 82 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.09 3kp0 h GLY 82 CO 0.07 0.00 -1.09 0.84 0.00 0.00 0.00 176.54 176.36 3kp0 h HIS 83 N 0.00 0.99 -0.44 5.60 6.17 -1.67 -2.39 115.15 123.40 3kp0 h HIS 83 Ca -0.00 -0.58 0.04 0.00 0.71 0.00 0.00 60.37 60.54 3kp0 h HIS 83 Cb 0.80 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.61 3kp0 h HIS 83 CO 0.00 1.42 0.29 0.82 0.71 0.00 0.00 177.93 181.17 3kp0 h ILE 84 N 0.28 1.01 0.00 6.26 1.08 -1.07 -0.31 117.51 124.77 3kp0 h ILE 84 Ca -0.15 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3kp0 h ILE 84 Cb 1.76 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 3kp0 h ILE 84 CO 0.21 0.08 -0.44 0.58 -0.69 0.00 0.00 178.15 177.89 3kp0 h VAL 85 N 0.43 0.00 0.08 1.67 2.07 -1.51 -2.95 116.25 116.05 3kp0 h VAL 85 Ca 0.18 -0.64 -0.24 0.00 0.82 0.00 0.00 66.70 66.82 3kp0 h VAL 85 Cb 0.18 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3kp0 h VAL 85 CO -0.04 0.00 -1.27 0.22 0.02 0.00 0.00 177.57 176.50 3kp0 h TYR 86 N 0.00 0.32 -0.53 1.57 3.20 -0.60 -3.11 116.97 117.82 3kp0 h TYR 86 Ca 0.00 -0.23 -0.11 0.00 3.14 0.00 0.00 58.73 61.53 3kp0 h TYR 86 Cb 0.82 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3kp0 h TYR 86 CO 0.00 1.49 -0.11 0.87 -1.64 0.00 0.00 178.16 178.77 3kp0 h LYS 87 N -0.49 1.00 -0.07 1.82 1.79 -1.22 -1.86 116.57 117.54 3kp0 h LYS 87 Ca -0.29 -0.37 -0.09 0.00 -2.18 0.00 0.00 60.65 57.72 3kp0 h LYS 87 Cb 1.61 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 3kp0 h LYS 87 CO 0.00 1.05 -0.39 0.82 -1.08 0.00 0.00 179.45 179.85 3kp0 h ILE 88 N 0.89 1.30 0.22 1.86 1.08 -1.71 0.11 117.51 121.26 3kp0 h ILE 88 Ca 0.14 -1.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.17 3kp0 h ILE 88 Cb 0.67 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 3kp0 h ILE 88 CO 0.05 0.42 -0.11 0.00 -0.69 0.00 0.00 178.15 177.82 3kp0 h ALA 89 N 1.48 -0.30 -0.10 1.87 0.00 -1.40 -2.87 119.26 117.94 3kp0 h ALA 89 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kp0 h ALA 89 Cb 0.75 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kp0 h ALA 89 CO 0.06 -0.55 -0.03 0.87 0.00 0.00 0.00 179.25 179.60 3kp0 h LYS 90 N -0.54 0.20 -0.33 0.00 1.57 -1.30 -1.42 116.57 114.75 3kp0 h LYS 90 Ca -0.03 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3kp0 h LYS 90 Cb 0.40 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 3kp0 h LYS 90 CO 0.05 0.53 -0.24 1.49 -0.57 0.00 0.00 179.45 180.72 3kp0 h GLU 91 N -0.14 -0.19 -0.50 3.15 4.22 -0.85 -1.47 114.58 118.80 3kp0 h GLU 91 Ca 0.02 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3kp0 h GLU 91 Cb 0.46 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kp0 h GLU 91 CO 0.01 -0.13 0.00 1.63 -2.18 0.00 0.00 179.01 178.35 3kp0 n LYS 92 N -5.38 2.20 -3.83 1.92 4.76 -1.08 -4.96 118.16 111.78 3kp0 n LYS 92 Ca 0.01 -1.76 -0.36 0.00 -2.87 0.00 0.00 58.31 53.33 3kp0 n LYS 92 Cb 0.30 -1.41 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3kp0 n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kp0 n ASN 93 N 0.89 -4.91 -4.45 4.39 4.13 -0.56 -5.03 115.26 109.73 3kp0 n ASN 93 Ca 0.16 -1.10 -0.26 0.00 1.68 0.00 0.00 54.58 55.06 3kp0 n ASN 93 Cb 0.43 -2.63 -0.09 0.00 -1.54 0.00 0.00 39.78 35.95 3kp0 n ASN 93 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kp0 s ILE 94 N -3.44 1.15 0.53 2.41 1.09 -0.59 -5.05 121.20 117.30 3kp0 s ILE 94 Ca 0.44 -2.00 -0.20 0.00 -1.10 0.00 0.00 60.65 57.79 3kp0 s ILE 94 Cb -0.20 -2.57 -0.06 0.00 -1.06 0.00 0.00 42.46 38.57 3kp0 s ILE 94 CO 0.91 0.00 1.12 -0.94 -0.10 0.00 0.00 174.94 175.92 3kp0 s SER 95 N -3.64 5.85 0.30 3.58 1.04 -1.26 -4.52 113.70 115.05 3kp0 s SER 95 Ca 0.26 2.14 0.05 0.00 0.48 0.00 0.00 55.95 58.89 3kp0 s SER 95 Cb 0.06 -2.58 0.77 0.00 0.10 0.00 0.00 66.02 64.36 3kp0 s SER 95 CO 0.13 -1.13 1.71 0.58 0.98 0.00 0.00 173.24 175.51 3kp0 h VAL 96 N 1.30 0.50 0.14 5.02 2.07 -1.91 -0.67 116.25 122.70 3kp0 h VAL 96 Ca -0.50 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3kp0 h VAL 96 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3kp0 h VAL 96 CO 0.57 0.08 -0.07 -0.09 0.02 0.00 0.00 177.57 178.09 3kp0 h ARG 97 N 0.46 -0.18 -0.77 1.57 9.65 -1.91 -1.66 114.38 121.53 3kp0 h ARG 97 Ca 0.58 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 59.42 3kp0 h ARG 97 Cb 1.09 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 3kp0 h ARG 97 CO -0.51 -0.01 0.28 0.93 2.80 0.00 0.00 179.97 183.46 3kp0 h GLU 98 N -0.32 1.17 0.00 0.20 4.39 -1.54 0.94 114.58 119.42 3kp0 h GLU 98 Ca -0.02 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 3kp0 h GLU 98 Cb 0.25 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3kp0 h GLU 98 CO 0.03 0.97 -0.18 0.00 -1.16 0.00 0.00 179.01 178.67 3kp0 h ALA 99 N 1.17 0.98 0.14 3.43 0.00 -1.18 0.18 119.26 123.98 3kp0 h ALA 99 Ca 0.26 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 3kp0 h ALA 99 Cb 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kp0 h ALA 99 CO -0.02 0.23 -1.32 0.78 0.00 0.00 0.00 179.25 178.92 3kp0 h GLY 100 N 2.39 0.33 0.78 0.00 0.00 -0.48 -2.59 103.07 103.49 3kp0 h GLY 100 Ca -0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 3kp0 h GLY 100 CO 0.02 0.75 -0.19 1.41 0.00 0.00 0.00 176.54 178.53 3kp0 h LEU 101 N 0.08 -0.45 0.00 3.11 -0.00 -0.51 -1.93 115.31 115.61 3kp0 h LEU 101 Ca -0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 3kp0 h LEU 101 Cb 2.00 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.78 3kp0 h LEU 101 CO 0.20 -0.15 0.00 0.00 -0.00 0.00 0.00 178.44 178.49 3kp0 n ALA 102 N -2.46 0.00 -0.32 1.53 0.00 0.61 -1.68 120.51 118.19 3kp0 n ALA 102 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.37 3kp0 n ALA 102 Cb 0.28 0.45 0.10 0.00 0.00 0.00 0.00 19.45 20.28 3kp0 n ALA 102 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kp0 h LEU 103 N 0.00 -0.91 -1.20 0.00 3.38 -1.51 0.13 115.31 115.20 3kp0 h LEU 103 Ca 0.00 0.27 0.23 0.00 0.09 0.00 0.00 57.88 58.47 3kp0 h LEU 103 Cb 0.00 0.58 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 3kp0 h LEU 103 CO 0.00 -0.29 0.63 0.77 0.09 0.00 0.00 178.44 179.63 3kp0 h SER 104 N -0.01 0.60 0.27 -0.43 4.64 -0.48 -1.37 113.55 116.76 3kp0 h SER 104 Ca 0.41 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3kp0 h SER 104 Cb 0.64 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3kp0 h SER 104 CO -0.91 0.16 -0.05 -0.62 -0.87 0.00 0.00 176.83 174.54 3kp0 n GLU 105 N -4.71 0.82 0.00 4.77 1.02 0.45 -4.77 120.64 118.23 3kp0 n GLU 105 Ca 0.24 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3kp0 n GLU 105 Cb 0.73 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3kp0 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kp0 n GLY 106 N 1.20 0.85 3.97 0.62 0.00 -0.52 -5.10 105.19 106.21 3kp0 n GLY 106 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3kp0 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kp0 s LYS 107 N -0.59 2.71 -1.05 1.61 1.02 -1.12 -4.49 119.74 117.84 3kp0 s LYS 107 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3kp0 s LYS 107 Cb 0.00 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 3kp0 s LYS 107 CO 0.00 -0.55 0.00 0.66 -0.92 0.00 0.00 175.35 174.54 3kp0 n TYR 108 N -2.22 -0.24 0.14 3.18 4.01 -1.26 -3.80 117.16 116.97 3kp0 n TYR 108 Ca 0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.55 3kp0 n TYR 108 Cb 0.59 -2.31 -0.16 0.00 -0.31 0.00 0.00 39.34 37.15 3kp0 n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kp0 h TRP 109 N 0.00 0.95 -0.98 -0.72 4.06 -1.94 -0.85 115.95 116.47 3kp0 h TRP 109 Ca -0.20 -0.69 0.06 0.00 2.06 0.00 0.00 58.89 60.11 3kp0 h TRP 109 Cb 0.83 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.89 3kp0 h TRP 109 CO 0.40 1.57 0.63 -0.44 -3.56 0.00 0.00 178.44 177.04 3kp0 h ASP 110 N 0.12 1.02 -0.45 -3.49 3.32 -1.92 -2.99 116.42 112.04 3kp0 h ASP 110 Ca -0.27 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 3kp0 h ASP 110 Cb 2.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.47 3kp0 h ASP 110 CO 0.26 0.67 -0.04 0.44 -1.72 0.00 0.00 179.24 178.85 3kp0 h ASP 111 N 1.17 0.82 -0.37 6.45 5.19 -1.94 -3.07 116.42 124.67 3kp0 h ASP 111 Ca 0.41 -0.33 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 3kp0 h ASP 111 Cb 0.12 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 3kp0 h ASP 111 CO -0.16 0.95 0.26 0.00 -3.12 0.00 0.00 179.24 177.17 3kp0 h ALA 112 N 0.90 2.28 0.00 3.45 0.00 -0.99 -2.75 119.26 122.14 3kp0 h ALA 112 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kp0 h ALA 112 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kp0 h ALA 112 CO 0.03 -0.38 0.00 -0.89 0.00 0.00 0.00 179.25 178.01 3kp0 n ILE 113 N -4.44 0.06 0.00 0.00 5.41 -1.16 -5.09 119.36 114.13 3kp0 n ILE 113 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3kp0 n ILE 113 Cb 0.41 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 3kp0 n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55