#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 0.57 0.00 -0.67 3.57 -2.05 0.43 116.94 118.80 3kp0 h PHE 7 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3kp0 h PHE 7 Cb 0.00 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 3kp0 h PHE 7 CO 0.00 0.22 -0.16 1.96 -2.23 0.00 0.00 178.31 178.10 3kp0 h GLN 8 N 0.49 0.00 0.00 1.11 1.08 -2.07 -2.66 115.11 113.06 3kp0 h GLN 8 Ca 0.39 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.48 3kp0 h GLN 8 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 3kp0 h GLN 8 CO -0.14 0.16 -0.63 1.96 -0.95 0.00 0.00 178.83 179.23 3kp0 h GLN 9 N 0.00 0.00 -0.01 1.46 1.08 -1.13 -3.38 115.11 113.13 3kp0 h GLN 9 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kp0 h GLN 9 Cb 0.66 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3kp0 h GLN 9 CO 0.02 0.93 0.01 0.00 -0.95 0.00 0.00 178.83 178.84 3kp0 h ARG 10 N -1.00 0.00 -0.01 1.46 3.08 -0.29 -2.97 114.38 114.66 3kp0 h ARG 10 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3kp0 h ARG 10 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3kp0 h ARG 10 CO -0.10 0.00 -0.02 2.89 -1.07 0.00 0.00 179.97 181.67 3kp0 n ARG 11 N -3.79 1.19 -0.31 0.04 1.85 -1.01 -4.42 116.66 110.21 3kp0 n ARG 11 Ca -0.03 -0.39 0.18 0.00 -1.00 0.00 0.00 57.85 56.61 3kp0 n ARG 11 Cb 0.09 -1.49 0.44 0.00 -1.05 0.00 0.00 32.46 30.45 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 4.06 2.02 -0.01 2.89 0.00 -1.75 0.21 119.26 126.69 3kp0 h ALA 12 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kp0 h ALA 12 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kp0 h ALA 12 CO 0.00 -0.39 -0.15 -2.39 0.00 0.00 0.00 179.25 176.32 3kp0 n HIS 13 N -4.66 0.00 -0.07 0.00 1.44 -1.26 -3.74 115.22 106.93 3kp0 n HIS 13 Ca 0.23 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.82 3kp0 n HIS 13 Cb 0.73 -0.11 -0.14 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.57 1.18 -0.32 2.39 4.77 0.71 -4.62 117.00 120.54 3kp0 n LEU 14 Ca 0.15 0.13 0.22 0.00 -0.03 0.00 0.00 56.01 56.48 3kp0 n LEU 14 Cb 0.32 -0.09 0.41 0.00 -2.33 0.00 0.00 43.42 41.74 3kp0 n LEU 14 CO 0.23 0.60 0.88 0.00 -1.33 0.00 0.00 177.39 177.77 3kp0 n ALA 15 N -2.82 0.72 -0.61 -1.18 0.00 -0.95 -1.55 120.51 114.12 3kp0 n ALA 15 Ca -0.30 1.01 0.09 0.00 0.00 0.00 0.00 53.44 54.24 3kp0 n ALA 15 Cb 1.08 -0.86 0.34 0.00 0.00 0.00 0.00 19.45 20.01 3kp0 n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kp0 n ASN 16 N -5.31 4.54 -4.75 0.00 3.02 -1.26 -4.93 115.26 106.56 3kp0 n ASN 16 Ca 0.29 -2.43 -0.40 0.00 -0.03 0.00 0.00 54.58 52.01 3kp0 n ASN 16 Cb 0.97 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 3kp0 n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kp0 s LEU 17 N -1.81 4.61 1.22 3.41 1.43 -0.60 -5.05 118.68 121.90 3kp0 s LEU 17 Ca 0.48 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.38 3kp0 s LEU 17 Cb 0.31 -3.65 0.29 0.00 0.03 0.00 0.00 46.19 43.17 3kp0 s LEU 17 CO 0.23 0.11 1.03 -0.94 0.23 0.00 0.00 176.35 177.02 3kp0 s SER 18 N -1.20 0.63 0.32 2.29 1.04 -1.26 -4.71 113.70 110.80 3kp0 s SER 18 Ca 0.42 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.98 3kp0 s SER 18 Cb -0.26 -1.57 0.53 0.00 0.10 0.00 0.00 66.02 64.82 3kp0 s SER 18 CO 0.32 -4.35 1.74 0.44 0.98 0.00 0.00 173.24 172.36 3kp0 h ASP 19 N -2.73 0.16 0.45 7.02 3.32 -1.98 0.26 116.42 122.92 3kp0 h ASP 19 Ca -0.52 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 56.29 3kp0 h ASP 19 Cb 1.33 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3kp0 h ASP 19 CO 0.42 0.56 -0.76 -0.33 -1.72 0.00 0.00 179.24 177.41 3kp0 h GLU 20 N 0.13 0.25 -0.07 3.56 3.07 -1.98 -0.37 114.58 119.17 3kp0 h GLU 20 Ca 0.01 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3kp0 h GLU 20 Cb 0.78 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3kp0 h GLU 20 CO 0.06 0.90 -0.00 0.93 -1.40 0.00 0.00 179.01 179.49 3kp0 h GLU 21 N 0.16 0.13 -0.28 2.33 5.08 -1.74 -1.25 114.58 119.02 3kp0 h GLU 21 Ca -0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3kp0 h GLU 21 Cb 1.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 3kp0 h GLU 21 CO 0.12 0.40 -0.13 1.25 -1.00 0.00 0.00 179.01 179.65 3kp0 h LEU 22 N -0.16 0.46 0.59 1.33 5.85 -0.96 -0.50 115.31 121.93 3kp0 h LEU 22 Ca 0.02 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3kp0 h LEU 22 Cb 0.34 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.26 3kp0 h LEU 22 CO 0.00 0.62 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.83 3kp0 h GLN 23 N 0.44 -0.77 -0.94 1.25 4.15 -0.95 -1.41 115.11 116.87 3kp0 h GLN 23 Ca 0.08 0.05 0.28 0.00 0.77 0.00 0.00 58.65 59.83 3kp0 h GLN 23 Cb 0.49 0.17 -0.15 0.00 0.21 0.00 0.00 27.48 28.21 3kp0 h GLN 23 CO 0.03 -0.51 0.39 1.15 -1.93 0.00 0.00 178.83 177.96 3kp0 h THR 24 N -0.80 0.29 -0.25 2.39 2.02 -0.94 0.26 112.91 115.87 3kp0 h THR 24 Ca -0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3kp0 h THR 24 Cb 0.61 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3kp0 h THR 24 CO 0.13 0.05 0.09 -0.09 0.37 0.00 0.00 175.52 176.07 3kp0 h ARG 25 N 0.25 0.39 -0.57 6.66 2.43 -0.95 0.13 114.38 122.72 3kp0 h ARG 25 Ca 0.64 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.85 3kp0 h ARG 25 Cb 1.39 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.77 3kp0 h ARG 25 CO -0.64 0.44 -0.22 0.35 -1.51 0.00 0.00 179.97 178.39 3kp0 h PHE 26 N 0.25 -0.54 0.09 2.20 3.57 0.62 -1.67 116.94 121.46 3kp0 h PHE 26 Ca 0.08 0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 3kp0 h PHE 26 Cb 0.20 0.32 0.02 0.00 2.79 0.00 0.00 35.95 39.28 3kp0 h PHE 26 CO -0.00 -0.31 -0.60 -1.49 -2.23 0.00 0.00 178.31 173.68 3kp0 h TRP 27 N -0.08 0.44 -0.76 0.41 4.06 -1.17 -2.32 115.95 116.54 3kp0 h TRP 27 Ca 0.26 -0.30 0.15 0.00 2.06 0.00 0.00 58.89 61.06 3kp0 h TRP 27 Cb 0.49 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 28.48 3kp0 h TRP 27 CO -0.53 1.20 -0.21 -1.91 -3.56 0.00 0.00 178.44 173.44 3kp0 n GLU 28 N -4.25 -0.09 0.14 0.49 4.07 0.43 -0.58 120.64 120.85 3kp0 n GLU 28 Ca -0.12 1.18 -0.25 0.00 -0.06 0.00 0.00 57.16 57.91 3kp0 n GLU 28 Cb 0.72 -1.76 -0.16 0.00 -0.06 0.00 0.00 31.44 30.18 3kp0 n GLU 28 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3kp0 h MET 29 N 0.00 0.52 -0.80 5.31 2.86 -1.29 -2.51 114.93 119.02 3kp0 h MET 29 Ca 0.35 -0.89 0.16 0.00 -2.06 0.00 0.00 59.70 57.25 3kp0 h MET 29 Cb 0.54 0.33 -0.10 0.00 0.06 0.00 0.00 31.60 32.43 3kp0 h MET 29 CO -0.77 1.43 0.34 0.00 1.06 0.00 0.00 176.91 178.96 3kp0 h ALA 30 N 0.15 1.16 -0.60 6.32 0.00 -0.65 -1.54 119.26 124.11 3kp0 h ALA 30 Ca -0.27 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kp0 h ALA 30 Cb 2.17 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 3kp0 h ALA 30 CO 0.26 -0.22 0.38 1.49 0.00 0.00 0.00 179.25 181.17 3kp0 h GLU 31 N 0.46 0.80 -0.04 0.00 4.81 -0.71 -2.72 114.58 117.19 3kp0 h GLU 31 Ca 0.45 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3kp0 h GLU 31 Cb 0.71 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3kp0 h GLU 31 CO -0.43 0.55 -0.04 0.87 -0.73 0.00 0.00 179.01 179.23 3kp0 h LYS 32 N 0.81 0.05 0.00 1.92 1.57 -0.86 -2.01 116.57 118.05 3kp0 h LYS 32 Ca 0.22 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.81 3kp0 h LYS 32 Cb -0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3kp0 h LYS 32 CO -0.04 0.10 -0.88 0.82 -0.57 0.00 0.00 179.45 178.87 3kp0 h ILE 33 N 0.05 1.62 0.00 1.86 2.04 -1.05 -3.37 117.51 118.66 3kp0 h ILE 33 Ca 0.01 -3.05 -0.23 0.00 1.00 0.00 0.00 64.86 62.59 3kp0 h ILE 33 Cb 0.11 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3kp0 h ILE 33 CO 0.01 0.87 -2.12 1.33 0.00 0.00 0.00 178.15 178.24 3kp0 n VAL 34 N -3.47 0.87 -0.34 1.67 0.24 -1.12 -4.49 118.33 111.69 3kp0 n VAL 34 Ca -0.00 -0.66 0.04 0.00 -2.04 0.00 0.00 64.34 61.67 3kp0 n VAL 34 Cb 0.85 -0.36 0.11 0.00 -1.47 0.00 0.00 33.84 32.96 3kp0 n VAL 34 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3kp0 n ASP 35 N -2.51 -0.41 0.27 -1.34 8.00 -0.77 0.12 116.55 119.91 3kp0 n ASP 35 Ca -0.22 1.62 0.12 0.00 0.71 0.00 0.00 54.79 57.02 3kp0 n ASP 35 Cb 0.91 -0.46 0.76 0.00 -0.02 0.00 0.00 41.12 42.31 3kp0 n ASP 35 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3kp0 h PRO 36 N 0.00 0.00 0.13 -0.24 0.11 -1.78 -1.78 132.00 128.44 3kp0 h PRO 36 Ca 0.42 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.23 3kp0 h PRO 36 Cb 0.65 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3kp0 h PRO 36 CO -0.95 0.08 -1.44 -0.07 -0.21 0.00 0.00 178.00 175.41 3kp0 h LEU 37 N 0.00 0.43 -1.11 2.35 3.38 0.70 -2.53 115.31 118.53 3kp0 h LEU 37 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3kp0 h LEU 37 Cb 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3kp0 h LEU 37 CO 0.01 1.44 0.54 -0.07 0.09 0.00 0.00 178.44 180.45 3kp0 h LEU 38 N 0.08 1.00 -0.40 1.67 3.38 -0.58 -2.86 115.31 117.60 3kp0 h LEU 38 Ca -0.21 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3kp0 h LEU 38 Cb 2.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 3kp0 h LEU 38 CO 0.18 0.75 0.05 -0.78 0.09 0.00 0.00 178.44 178.74 3kp0 h ASP 39 N 1.17 0.64 -0.35 -0.43 3.58 -1.23 0.13 116.42 119.93 3kp0 h ASP 39 Ca 0.31 -0.27 0.10 0.00 0.42 0.00 0.00 57.03 57.59 3kp0 h ASP 39 Cb -0.09 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 3kp0 h ASP 39 CO -0.06 0.75 0.46 -0.07 -2.88 0.00 0.00 179.24 177.44 3kp0 h LEU 40 N 0.51 0.00 0.07 2.28 3.38 -1.29 -0.52 115.31 119.74 3kp0 h LEU 40 Ca 0.12 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.80 3kp0 h LEU 40 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kp0 h LEU 40 CO 0.01 0.00 -1.48 1.23 0.09 0.00 0.00 178.44 178.29 3kp0 h GLY 41 N 0.00 0.18 2.00 0.83 0.00 -0.57 -3.19 103.07 102.32 3kp0 h GLY 41 Ca 0.17 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 3kp0 h GLY 41 CO -0.00 0.41 -0.68 0.50 0.00 0.00 0.00 176.54 176.76 3kp0 h LYS 42 N 0.04 0.00 -0.41 4.80 1.57 0.05 -3.34 116.57 119.29 3kp0 h LYS 42 Ca -0.21 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kp0 h LYS 42 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 3kp0 h LYS 42 CO 0.14 0.68 0.00 1.63 -0.57 0.00 0.00 179.45 181.33 3kp0 n LYS 43 N -3.73 2.64 -3.92 3.15 5.02 -0.71 -5.02 118.16 115.58 3kp0 n LYS 43 Ca -0.01 -2.14 -0.09 0.00 -2.02 0.00 0.00 58.31 54.05 3kp0 n LYS 43 Cb 0.67 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.02 -0.07 0.27 4.39 0.01 -1.20 -5.06 114.94 112.25 3kp0 s ASN 44 Ca 0.29 -0.81 -0.05 0.00 -0.71 0.00 0.00 52.86 51.58 3kp0 s ASN 44 Cb 0.15 0.52 -0.01 0.00 0.41 0.00 0.00 41.25 42.32 3kp0 s ASN 44 CO 0.21 -1.01 0.39 0.28 -1.51 0.00 0.00 177.10 175.45 3kp0 s THR 45 N -3.97 0.00 0.25 1.60 -1.32 -1.26 -4.84 115.64 106.11 3kp0 s THR 45 Ca 0.17 -1.64 -0.02 0.00 -1.21 0.00 0.00 61.69 58.99 3kp0 s THR 45 Cb 0.01 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 3kp0 s THR 45 CO 0.03 0.00 0.27 0.42 -2.21 0.00 0.00 174.62 173.13 3kp0 s THR 46 N -3.68 0.00 0.13 5.08 -4.23 -1.26 -5.03 115.64 106.64 3kp0 s THR 46 Ca 0.30 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 58.79 3kp0 s THR 46 Cb 0.01 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3kp0 s THR 46 CO 0.15 0.00 1.74 -0.65 -0.54 0.00 0.00 174.62 175.31 3kp0 h PRO 47 N 2.39 0.12 -0.19 3.99 0.11 -2.00 -2.55 132.00 133.86 3kp0 h PRO 47 Ca -0.31 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 3kp0 h PRO 47 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kp0 h PRO 47 CO 0.45 0.08 -0.26 0.66 -0.21 0.00 0.00 178.00 178.72 3kp0 h SER 48 N 0.12 0.36 -0.13 -2.05 4.64 -1.99 0.11 113.55 114.61 3kp0 h SER 48 Ca 0.09 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kp0 h SER 48 Cb 0.09 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kp0 h SER 48 CO -0.13 0.62 0.08 0.40 -0.87 0.00 0.00 176.83 176.93 3kp0 h ILE 49 N 0.32 1.06 -0.10 0.95 2.04 -1.94 -1.64 117.51 118.20 3kp0 h ILE 49 Ca 0.05 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3kp0 h ILE 49 Cb 0.63 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3kp0 h ILE 49 CO 0.04 0.06 0.03 -0.33 0.00 0.00 0.00 178.15 177.96 3kp0 h GLU 50 N 0.15 0.15 -0.69 2.37 4.39 -0.80 -2.05 114.58 118.09 3kp0 h GLU 50 Ca 0.05 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.87 3kp0 h GLU 50 Cb 0.02 -0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 28.53 3kp0 h GLU 50 CO -0.01 0.29 -0.00 0.00 -1.16 0.00 0.00 179.01 178.13 3kp0 h ARG 51 N -0.02 0.10 0.00 2.33 3.08 -0.83 0.69 114.38 119.73 3kp0 h ARG 51 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3kp0 h ARG 51 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kp0 h ARG 51 CO -0.00 0.07 0.00 0.66 -1.07 0.00 0.00 179.97 179.63 3kp0 h SER 52 N 0.11 0.00 0.18 7.04 4.64 -0.72 0.27 113.55 125.07 3kp0 h SER 52 Ca 0.37 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.40 3kp0 h SER 52 Cb 0.63 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.74 3kp0 h SER 52 CO -0.61 0.00 -1.23 0.58 -0.87 0.00 0.00 176.83 174.70 3kp0 h VAL 53 N 0.00 1.30 -0.02 0.95 2.07 -0.21 -3.15 116.25 117.20 3kp0 h VAL 53 Ca 0.00 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 3kp0 h VAL 53 Cb 0.31 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3kp0 h VAL 53 CO 0.00 0.76 -0.01 -0.07 0.02 0.00 0.00 177.57 178.27 3kp0 h LEU 54 N 0.26 0.05 -1.96 2.57 3.38 -0.65 -2.21 115.31 116.75 3kp0 h LEU 54 Ca -0.18 -0.38 0.31 0.00 0.09 0.00 0.00 57.88 57.73 3kp0 h LEU 54 Cb 1.90 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.59 3kp0 h LEU 54 CO 0.23 0.41 0.77 -0.07 0.09 0.00 0.00 178.44 179.87 3kp0 h LEU 55 N -0.32 0.03 0.00 1.67 3.38 -0.63 0.25 115.31 119.68 3kp0 h LEU 55 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3kp0 h LEU 55 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3kp0 h LEU 55 CO 0.00 0.01 -1.04 0.03 0.09 0.00 0.00 178.44 177.53 3kp0 h ARG 56 N 0.03 0.00 -0.00 1.13 3.08 -1.46 -3.21 114.38 113.94 3kp0 h ARG 56 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3kp0 h ARG 56 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 3kp0 h ARG 56 CO -0.02 0.50 -0.10 -1.33 -1.07 0.00 0.00 179.97 177.95 3kp0 n MET 57 N -3.10 0.74 0.00 0.04 2.81 0.75 -4.90 117.12 113.46 3kp0 n MET 57 Ca -0.05 -0.25 0.00 0.00 -1.81 0.00 0.00 57.70 55.60 3kp0 n MET 57 Cb 0.84 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 3kp0 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kp0 n GLY 58 N 1.26 1.11 3.60 3.03 0.00 -0.51 -4.87 105.19 108.80 3kp0 n GLY 58 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 2.56 0.67 1.61 0.08 -1.04 -5.00 117.98 114.86 3kp0 s PHE 59 Ca 0.00 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.64 3kp0 s PHE 59 Cb 0.00 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.22 3kp0 s PHE 59 CO 0.00 0.60 1.05 -1.54 -0.10 0.00 0.00 175.22 175.23 3kp0 s SER 60 N -3.65 5.59 0.17 1.36 1.04 -1.26 -4.42 113.70 112.52 3kp0 s SER 60 Ca 0.32 1.10 -0.15 0.00 0.48 0.00 0.00 55.95 57.70 3kp0 s SER 60 Cb -0.04 -1.97 0.13 0.00 0.10 0.00 0.00 66.02 64.23 3kp0 s SER 60 CO 0.19 -1.22 1.71 0.77 0.98 0.00 0.00 173.24 175.67 3kp0 h SER 61 N -0.52 -0.05 0.04 7.02 4.64 -1.99 -1.70 113.55 120.99 3kp0 h SER 61 Ca -0.45 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3kp0 h SER 61 Cb 1.24 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3kp0 h SER 61 CO 0.63 0.01 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.51 3kp0 h LEU 62 N 0.18 -0.04 -0.11 5.97 3.38 -2.00 -2.55 115.31 120.13 3kp0 h LEU 62 Ca 0.21 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3kp0 h LEU 62 Cb 0.27 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kp0 h LEU 62 CO -0.30 -0.02 -0.06 -0.33 0.09 0.00 0.00 178.44 177.83 3kp0 h GLU 63 N -0.07 -0.05 -0.91 1.13 5.08 -1.88 -2.02 114.58 115.86 3kp0 h GLU 63 Ca -0.01 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 3kp0 h GLU 63 Cb 0.05 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.20 3kp0 h GLU 63 CO 0.01 -0.03 0.47 0.00 -1.00 0.00 0.00 179.01 178.46 3kp0 h ALA 64 N 1.05 1.48 -0.07 3.43 0.00 -1.23 -0.78 119.26 123.15 3kp0 h ALA 64 Ca 0.06 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kp0 h ALA 64 Cb 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kp0 h ALA 64 CO -0.14 -0.22 -0.18 -0.22 0.00 0.00 0.00 179.25 178.49 3kp0 h LYS 65 N 0.55 -0.25 0.00 0.00 3.64 -0.94 -0.57 116.57 119.00 3kp0 h LYS 65 Ca 0.55 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.89 3kp0 h LYS 65 Cb 0.95 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3kp0 h LYS 65 CO -0.45 -0.17 -0.25 0.00 -2.27 0.00 0.00 179.45 176.31 3kp0 h ALA 66 N 0.71 1.30 0.12 5.00 0.00 -0.89 0.13 119.26 125.63 3kp0 h ALA 66 Ca 0.08 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 3kp0 h ALA 66 Cb 0.37 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kp0 h ALA 66 CO -0.22 0.32 -1.05 0.82 0.00 0.00 0.00 179.25 179.12 3kp0 h ILE 67 N 0.00 1.36 -0.09 0.00 2.04 -1.14 -2.97 117.51 116.71 3kp0 h ILE 67 Ca -0.00 -2.43 -0.10 0.00 1.00 0.00 0.00 64.86 63.32 3kp0 h ILE 67 Cb 0.55 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3kp0 h ILE 67 CO 0.03 0.72 -0.34 0.58 0.00 0.00 0.00 178.15 179.14 3kp0 h VAL 68 N 0.03 1.40 -0.84 1.67 2.07 -0.42 -0.92 116.25 119.25 3kp0 h VAL 68 Ca -0.16 -1.70 0.16 0.00 0.82 0.00 0.00 66.70 65.82 3kp0 h VAL 68 Cb 1.77 2.22 -0.10 0.00 -1.52 0.00 0.00 31.29 33.66 3kp0 h VAL 68 CO 0.20 0.50 0.41 0.44 0.02 0.00 0.00 177.57 179.13 3kp0 h ASP 69 N -0.05 0.45 0.84 0.57 5.19 -0.93 0.27 116.42 122.75 3kp0 h ASP 69 Ca -0.02 0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.39 3kp0 h ASP 69 Cb 0.98 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 3kp0 h ASP 69 CO 0.07 0.16 -0.52 0.11 -3.12 0.00 0.00 179.24 175.94 3kp0 h LYS 70 N 0.56 0.00 -0.00 3.56 1.57 -1.41 -2.58 116.57 118.27 3kp0 h LYS 70 Ca 0.47 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.07 3kp0 h LYS 70 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3kp0 h LYS 70 CO -0.40 0.52 -0.84 1.15 -0.57 0.00 0.00 179.45 179.32 3kp0 h THR 71 N 0.00 1.52 -0.05 -0.16 2.02 -0.09 -3.15 112.91 113.01 3kp0 h THR 71 Ca -0.01 -2.64 -0.17 0.00 0.77 0.00 0.00 66.41 64.36 3kp0 h THR 71 Cb 1.08 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 3kp0 h THR 71 CO 0.07 0.76 -0.71 0.24 0.37 0.00 0.00 175.52 176.25 3kp0 h MET 72 N 0.07 0.25 0.00 6.66 2.86 -0.82 -1.22 114.93 122.73 3kp0 h MET 72 Ca -0.03 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 3kp0 h MET 72 Cb 1.45 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 3kp0 h MET 72 CO 0.12 0.86 -0.33 -0.44 1.06 0.00 0.00 176.91 178.18 3kp0 h ASP 73 N 0.17 0.00 -1.58 1.22 3.32 -1.50 -3.09 116.42 114.96 3kp0 h ASP 73 Ca -0.02 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.37 3kp0 h ASP 73 Cb 1.27 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.46 3kp0 h ASP 73 CO 0.11 0.33 -0.03 0.54 -1.72 0.00 0.00 179.24 178.47 3kp0 n ARG 74 N -3.65 3.17 -2.48 3.56 1.74 -1.17 -4.95 116.66 112.87 3kp0 n ARG 74 Ca -0.01 -4.07 -0.01 0.00 -0.77 0.00 0.00 57.85 52.99 3kp0 n ARG 74 Cb 0.44 -2.26 -0.00 0.00 -1.02 0.00 0.00 32.46 29.62 3kp0 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kp0 n GLY 75 N -0.55 -0.00 0.27 -0.13 0.00 -1.17 -4.71 105.19 98.90 3kp0 n GLY 75 Ca 0.46 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.06 1.38 -0.35 0.99 4.32 -0.47 -4.61 117.00 117.20 3kp0 n LEU 76 Ca -0.01 -0.83 0.16 0.00 -0.02 0.00 0.00 56.01 55.32 3kp0 n LEU 76 Cb 0.02 0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.18 3kp0 n LEU 76 CO 0.02 0.27 1.17 0.24 -1.22 0.00 0.00 177.39 177.88 3kp0 h MET 77 N 1.35 0.62 -1.08 3.23 2.86 -1.84 -1.19 114.93 118.87 3kp0 h MET 77 Ca 0.00 -0.04 0.39 0.00 -2.06 0.00 0.00 59.70 57.99 3kp0 h MET 77 Cb 0.36 -0.14 -0.16 0.00 0.06 0.00 0.00 31.60 31.73 3kp0 h MET 77 CO 0.00 0.41 0.63 0.78 1.06 0.00 0.00 176.91 179.79 3kp0 h GLY 78 N 0.64 1.96 1.90 8.32 0.00 -1.94 0.54 103.07 114.48 3kp0 h GLY 78 Ca 0.62 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.63 3kp0 h GLY 78 CO -0.44 -0.59 -0.78 0.50 0.00 0.00 0.00 176.54 175.23 3kp0 h LYS 79 N 0.14 0.00 -0.05 4.80 1.79 -1.58 -3.50 116.57 118.18 3kp0 h LYS 79 Ca 0.80 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 3kp0 h LYS 79 Cb 2.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.77 3kp0 h LYS 79 CO -0.62 0.67 0.00 0.41 -1.08 0.00 0.00 179.45 178.83 3kp0 n GLY 80 N 1.29 0.71 0.30 3.86 0.00 0.19 -4.62 105.19 106.92 3kp0 n GLY 80 Ca -0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 0.89 0.00 4.61 0.00 -1.85 0.15 119.26 123.06 3kp0 h ALA 81 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kp0 h ALA 81 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kp0 h ALA 81 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3kp0 n GLY 82 N -0.86 -0.86 0.11 0.00 0.00 -1.26 -2.15 105.19 100.18 3kp0 n GLY 82 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3kp0 n GLY 82 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kp0 h HIS 83 N 0.00 0.27 0.23 1.61 6.17 -1.24 -3.12 115.15 119.08 3kp0 h HIS 83 Ca 0.00 -0.20 -0.01 0.00 0.71 0.00 0.00 60.37 60.87 3kp0 h HIS 83 Cb 0.17 -0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.09 3kp0 h HIS 83 CO 0.00 1.36 -0.14 0.82 0.71 0.00 0.00 177.93 180.68 3kp0 h ILE 84 N 0.04 0.70 -0.58 6.26 1.08 -0.95 -1.48 117.51 122.58 3kp0 h ILE 84 Ca -0.32 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.24 3kp0 h ILE 84 Cb 2.02 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 36.40 3kp0 h ILE 84 CO 0.10 0.00 0.22 0.58 -0.69 0.00 0.00 178.15 178.36 3kp0 h VAL 85 N -0.36 0.79 -0.18 1.67 2.07 -1.61 -0.60 116.25 118.03 3kp0 h VAL 85 Ca -0.02 -0.14 -0.20 0.00 0.82 0.00 0.00 66.70 67.16 3kp0 h VAL 85 Cb 0.30 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3kp0 h VAL 85 CO 0.02 0.07 -0.68 0.22 0.02 0.00 0.00 177.57 177.23 3kp0 h TYR 86 N 0.40 0.92 0.00 1.57 3.20 -1.47 -0.33 116.97 121.26 3kp0 h TYR 86 Ca 0.29 -0.38 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 3kp0 h TYR 86 Cb 0.34 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3kp0 h TYR 86 CO -0.17 1.18 -0.28 0.87 -1.64 0.00 0.00 178.16 178.13 3kp0 h LYS 87 N 0.51 0.00 0.00 1.82 1.79 -1.13 -1.67 116.57 117.88 3kp0 h LYS 87 Ca -0.02 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 3kp0 h LYS 87 Cb 1.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 3kp0 h LYS 87 CO 0.14 0.28 -0.41 0.82 -1.08 0.00 0.00 179.45 179.19 3kp0 h ILE 88 N 0.00 0.44 0.40 1.86 1.08 -0.95 -1.86 117.51 118.48 3kp0 h ILE 88 Ca -0.00 -1.64 -0.02 0.00 -0.39 0.00 0.00 64.86 62.81 3kp0 h ILE 88 Cb 0.73 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 3kp0 h ILE 88 CO 0.04 0.25 -0.19 0.00 -0.69 0.00 0.00 178.15 177.55 3kp0 h ALA 89 N 1.72 -0.54 -0.88 1.87 0.00 -0.77 -3.01 119.26 117.65 3kp0 h ALA 89 Ca -0.01 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.92 3kp0 h ALA 89 Cb 1.22 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 3kp0 h ALA 89 CO 0.03 -0.53 0.44 -0.22 0.00 0.00 0.00 179.25 178.97 3kp0 h LYS 90 N -1.08 0.53 0.66 0.00 3.64 -1.38 -1.60 116.57 117.35 3kp0 h LYS 90 Ca -0.06 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3kp0 h LYS 90 Cb 0.49 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3kp0 h LYS 90 CO 0.09 0.35 -0.32 0.93 -2.27 0.00 0.00 179.45 178.24 3kp0 h GLU 91 N 0.55 -0.85 -0.07 1.90 4.39 -1.43 -3.22 114.58 115.84 3kp0 h GLU 91 Ca 0.51 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.27 3kp0 h GLU 91 Cb 0.84 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3kp0 h GLU 91 CO -0.43 -0.57 0.00 1.63 -1.16 0.00 0.00 179.01 178.49 3kp0 n LYS 92 N -5.26 1.19 -3.85 2.33 4.76 -1.13 -4.88 118.16 111.31 3kp0 n LYS 92 Ca -0.11 -0.29 -0.28 0.00 -2.87 0.00 0.00 58.31 54.76 3kp0 n LYS 92 Cb 0.35 -1.11 0.03 0.00 -1.84 0.00 0.00 35.03 32.45 3kp0 n LYS 92 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kp0 n ASN 93 N -0.31 -3.81 -3.27 4.39 5.15 -0.63 -4.98 115.26 111.80 3kp0 n ASN 93 Ca 0.05 -0.79 -0.17 0.00 -0.60 0.00 0.00 54.58 53.07 3kp0 n ASN 93 Cb 0.08 -3.95 -0.04 0.00 -0.53 0.00 0.00 39.78 35.34 3kp0 n ASN 93 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3kp0 n ILE 94 N -4.58 0.00 -3.61 -1.44 -5.35 -1.02 -5.06 119.36 98.30 3kp0 n ILE 94 Ca -0.06 -1.43 -0.33 0.00 -0.27 0.00 0.00 62.75 60.66 3kp0 n ILE 94 Cb 0.57 0.39 -0.05 0.00 -1.74 0.00 0.00 39.64 38.81 3kp0 n ILE 94 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kp0 s SER 95 N -2.59 6.58 0.22 7.28 1.04 -1.26 -4.55 113.70 120.42 3kp0 s SER 95 Ca 0.06 0.72 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 3kp0 s SER 95 Cb 0.00 -2.15 0.26 0.00 0.10 0.00 0.00 66.02 64.24 3kp0 s SER 95 CO 0.04 0.12 1.43 0.52 0.98 0.00 0.00 173.24 176.33 3kp0 n VAL 96 N 0.57 -0.46 -0.20 5.02 0.31 -1.26 0.32 118.33 122.63 3kp0 n VAL 96 Ca -0.06 2.14 -0.07 0.00 -0.01 0.00 0.00 64.34 66.35 3kp0 n VAL 96 Cb 0.52 -2.86 0.03 0.00 -0.91 0.00 0.00 33.84 30.62 3kp0 n VAL 96 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kp0 h ARG 97 N 0.00 0.76 -0.22 5.55 2.43 -1.94 -1.85 114.38 119.11 3kp0 h ARG 97 Ca 0.34 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3kp0 h ARG 97 Cb 0.57 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3kp0 h ARG 97 CO -0.92 0.52 0.11 0.93 -1.51 0.00 0.00 179.97 179.11 3kp0 h GLU 98 N 0.76 0.31 0.64 0.20 4.39 -0.52 0.14 114.58 120.50 3kp0 h GLU 98 Ca 0.21 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3kp0 h GLU 98 Cb -0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3kp0 h GLU 98 CO -0.04 0.31 -0.47 0.00 -1.16 0.00 0.00 179.01 177.65 3kp0 h ALA 99 N 0.98 -1.14 -0.12 3.43 0.00 -0.86 0.32 119.26 121.86 3kp0 h ALA 99 Ca 0.08 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kp0 h ALA 99 Cb 0.10 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3kp0 h ALA 99 CO -0.01 -1.17 -0.36 0.78 0.00 0.00 0.00 179.25 178.50 3kp0 h GLY 100 N -1.07 -0.54 -0.59 0.00 0.00 -1.27 -1.03 103.07 98.57 3kp0 h GLY 100 Ca -0.08 0.44 0.11 0.00 0.00 0.00 0.00 47.33 47.80 3kp0 h GLY 100 CO 0.03 -0.22 -0.39 -2.00 0.00 0.00 0.00 176.54 173.96 3kp0 h LEU 101 N -0.44 -1.36 -0.12 3.11 5.85 -0.62 -1.38 115.31 120.35 3kp0 h LEU 101 Ca 0.09 0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3kp0 h LEU 101 Cb 0.58 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3kp0 h LEU 101 CO -0.37 -0.31 -0.39 0.00 -0.34 0.00 0.00 178.44 177.04 3kp0 h ALA 102 N 0.95 -0.52 -0.89 1.25 0.00 0.05 -2.20 119.26 117.90 3kp0 h ALA 102 Ca 0.24 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.38 3kp0 h ALA 102 Cb 0.56 0.72 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 3kp0 h ALA 102 CO -0.76 -0.88 0.31 -0.07 0.00 0.00 0.00 179.25 177.85 3kp0 h LEU 103 N -0.47 0.14 -1.83 0.00 3.38 -0.64 -1.36 115.31 114.54 3kp0 h LEU 103 Ca 0.08 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3kp0 h LEU 103 Cb 0.60 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3kp0 h LEU 103 CO -0.38 -0.11 -0.12 0.77 0.09 0.00 0.00 178.44 178.69 3kp0 h SER 104 N 0.27 0.00 -0.13 -0.43 4.64 -0.63 -0.78 113.55 116.49 3kp0 h SER 104 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3kp0 h SER 104 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kp0 h SER 104 CO -0.61 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 174.86 3kp0 n GLU 105 N -4.18 1.69 0.00 4.77 1.02 -0.52 -4.78 120.64 118.63 3kp0 n GLU 105 Ca -0.02 -1.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.08 3kp0 n GLU 105 Cb 0.20 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.13 0.53 3.90 0.62 0.00 -0.30 -5.09 105.19 105.98 3kp0 n GLY 106 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.00 3.61 0.00 1.61 1.02 -1.13 -4.45 119.74 119.39 3kp0 s LYS 107 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.89 3kp0 s LYS 107 Cb 0.00 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 3kp0 s LYS 107 CO 0.00 0.50 0.00 0.66 -0.92 0.00 0.00 175.35 175.59 3kp0 n TYR 108 N 0.25 0.00 0.16 3.18 4.01 -1.26 -3.42 117.16 120.09 3kp0 n TYR 108 Ca -0.04 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3kp0 n TYR 108 Cb 0.52 0.00 0.34 0.00 -0.31 0.00 0.00 39.34 39.88 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 0.07 0.08 -0.72 4.06 -1.94 -0.79 115.95 116.72 3kp0 h TRP 109 Ca 0.00 -0.01 -0.26 0.00 2.06 0.00 0.00 58.89 60.68 3kp0 h TRP 109 Cb 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3kp0 h TRP 109 CO 0.00 0.41 -1.13 -0.44 -3.56 0.00 0.00 178.44 173.72 3kp0 h ASP 110 N 0.05 0.49 -0.48 -3.49 3.32 -1.93 0.39 116.42 114.77 3kp0 h ASP 110 Ca 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3kp0 h ASP 110 Cb 0.66 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3kp0 h ASP 110 CO 0.05 1.32 0.20 0.44 -1.72 0.00 0.00 179.24 179.53 3kp0 h ASP 111 N 0.14 0.66 -0.41 6.45 5.19 -1.90 -2.26 116.42 124.29 3kp0 h ASP 111 Ca -0.12 -0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.02 3kp0 h ASP 111 Cb 1.82 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 41.15 3kp0 h ASP 111 CO 0.19 0.64 -0.19 0.00 -3.12 0.00 0.00 179.24 176.76 3kp0 h ALA 112 N 1.05 0.57 -0.65 3.45 0.00 -1.05 -2.87 119.26 119.75 3kp0 h ALA 112 Ca 0.16 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kp0 h ALA 112 Cb 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3kp0 h ALA 112 CO -0.01 0.53 0.32 0.82 0.00 0.00 0.00 179.25 180.91 3kp0 h ILE 113 N 0.66 0.89 -0.03 0.00 2.04 -0.14 -3.51 117.51 117.42 3kp0 h ILE 113 Ca 0.09 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3kp0 h ILE 113 Cb 0.75 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3kp0 h ILE 113 CO 0.06 0.11 0.00 1.67 0.00 0.00 0.00 178.15 179.98