#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp1 h PHE 7 N 0.00 0.71 -0.19 -0.67 3.57 -2.05 -0.04 116.94 118.26 3kp1 h PHE 7 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3kp1 h PHE 7 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3kp1 h PHE 7 CO 0.00 0.36 0.14 1.96 -2.23 0.00 0.00 178.31 178.53 3kp1 h GLN 8 N 0.72 0.08 0.20 1.11 1.08 -2.06 -0.87 115.11 115.37 3kp1 h GLN 8 Ca 0.29 -0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.15 3kp1 h GLN 8 Cb 0.14 -0.02 0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3kp1 h GLN 8 CO -0.16 0.05 -1.58 0.37 -0.95 0.00 0.00 178.83 176.56 3kp1 h GLN 9 N 0.08 0.43 -0.72 1.46 4.15 -1.89 -3.31 115.11 115.30 3kp1 h GLN 9 Ca 0.09 -0.73 0.06 0.00 0.77 0.00 0.00 58.65 58.84 3kp1 h GLN 9 Cb 0.25 0.27 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 3kp1 h GLN 9 CO -0.01 1.35 0.47 0.00 -1.93 0.00 0.00 178.83 178.71 3kp1 h ARG 10 N 0.05 0.75 0.00 1.69 2.47 -0.49 -3.06 114.38 115.80 3kp1 h ARG 10 Ca -0.30 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 3kp1 h ARG 10 Cb 2.07 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.22 3kp1 h ARG 10 CO 0.20 0.50 -0.21 0.07 0.56 0.00 0.00 179.97 181.08 3kp1 h ARG 11 N 0.77 0.00 -0.90 0.04 0.11 -1.30 -3.39 114.38 109.71 3kp1 h ARG 11 Ca 0.31 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.61 3kp1 h ARG 11 Cb 0.22 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 31.13 3kp1 h ARG 11 CO -0.10 0.00 -0.05 0.00 0.10 0.00 0.00 179.97 179.92 3kp1 n ALA 12 N -1.86 0.39 0.91 0.08 0.00 -1.16 0.54 120.51 119.41 3kp1 n ALA 12 Ca 0.04 0.97 0.10 0.00 0.00 0.00 0.00 53.44 54.56 3kp1 n ALA 12 Cb 0.45 -0.67 0.51 0.00 0.00 0.00 0.00 19.45 19.74 3kp1 n ALA 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3kp1 n HIS 13 N -5.36 0.00 0.71 0.00 1.44 -1.26 -2.65 115.22 108.10 3kp1 n HIS 13 Ca 0.19 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.01 3kp1 n HIS 13 Cb 0.62 -0.37 -0.09 0.00 0.12 0.00 0.00 29.99 30.28 3kp1 n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kp1 n LEU 14 N -1.37 0.69 -0.17 2.39 4.77 0.19 -4.66 117.00 118.85 3kp1 n LEU 14 Ca 0.08 -0.29 0.05 0.00 -0.03 0.00 0.00 56.01 55.82 3kp1 n LEU 14 Cb 0.20 -0.03 0.34 0.00 -2.33 0.00 0.00 43.42 41.60 3kp1 n LEU 14 CO 0.18 0.16 1.21 0.00 -1.33 0.00 0.00 177.39 177.61 3kp1 h ALA 15 N 2.71 1.64 -0.47 -1.18 0.00 -1.36 -2.47 119.26 118.13 3kp1 h ALA 15 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kp1 h ALA 15 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kp1 h ALA 15 CO 0.00 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.61 3kp1 n ASN 16 N -4.46 3.61 -4.76 0.00 5.03 -1.26 -4.93 115.26 108.48 3kp1 n ASN 16 Ca 0.09 -2.00 -0.41 0.00 0.87 0.00 0.00 54.58 53.13 3kp1 n ASN 16 Cb 0.16 -0.30 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 3kp1 n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kp1 s LEU 17 N -1.39 4.50 0.86 3.41 1.43 -0.93 -5.02 118.68 121.53 3kp1 s LEU 17 Ca 0.41 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.77 3kp1 s LEU 17 Cb 0.24 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.94 3kp1 s LEU 17 CO 0.32 -0.28 1.10 -0.94 0.23 0.00 0.00 176.35 176.78 3kp1 s SER 18 N -0.57 3.71 0.25 2.29 1.04 -1.26 -4.79 113.70 114.36 3kp1 s SER 18 Ca 0.47 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.58 3kp1 s SER 18 Cb -0.34 -2.37 0.38 0.00 0.10 0.00 0.00 66.02 63.79 3kp1 s SER 18 CO 0.43 -2.53 1.85 0.44 0.98 0.00 0.00 173.24 174.41 3kp1 h ASP 19 N -1.47 0.85 -0.74 7.02 3.32 -1.99 0.07 116.42 123.49 3kp1 h ASP 19 Ca -0.47 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3kp1 h ASP 19 Cb 1.26 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3kp1 h ASP 19 CO 0.51 0.52 0.44 -0.33 -1.72 0.00 0.00 179.24 178.67 3kp1 h GLU 20 N 0.98 1.01 -0.34 3.56 3.07 -1.99 0.15 114.58 121.00 3kp1 h GLU 20 Ca 0.40 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 3kp1 h GLU 20 Cb 0.24 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3kp1 h GLU 20 CO -0.20 0.72 0.09 0.93 -1.40 0.00 0.00 179.01 179.16 3kp1 h GLU 21 N 1.01 0.54 -0.48 2.33 5.08 -1.66 -0.93 114.58 120.48 3kp1 h GLU 21 Ca 0.26 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kp1 h GLU 21 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3kp1 h GLU 21 CO -0.05 0.59 0.32 1.25 -1.00 0.00 0.00 179.01 180.11 3kp1 h LEU 22 N 0.40 0.56 -0.20 1.33 5.85 -0.74 -0.88 115.31 121.63 3kp1 h LEU 22 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3kp1 h LEU 22 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3kp1 h LEU 22 CO -0.00 0.41 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.88 3kp1 h GLN 23 N 0.65 0.36 -0.48 1.25 4.15 -0.81 -1.19 115.11 119.04 3kp1 h GLN 23 Ca 0.18 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3kp1 h GLN 23 Cb -0.07 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3kp1 h GLN 23 CO -0.04 0.58 0.21 1.79 -1.93 0.00 0.00 178.83 179.44 3kp1 h THR 24 N 0.10 1.17 -0.47 2.39 1.35 -1.07 -2.41 112.91 113.97 3kp1 h THR 24 Ca 0.05 -0.50 -0.12 0.00 -0.55 0.00 0.00 66.41 65.29 3kp1 h THR 24 Cb 0.43 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 3kp1 h THR 24 CO 0.01 0.20 -0.19 -0.09 -0.25 0.00 0.00 175.52 175.21 3kp1 h ARG 25 N 0.67 0.96 -0.36 4.72 2.43 -0.94 0.13 114.38 121.99 3kp1 h ARG 25 Ca 0.17 -0.40 0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3kp1 h ARG 25 Cb 0.10 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3kp1 h ARG 25 CO -0.02 1.07 -0.01 0.35 -1.51 0.00 0.00 179.97 179.85 3kp1 h PHE 26 N 0.81 -0.03 -0.03 2.20 3.57 -0.78 -1.35 116.94 121.33 3kp1 h PHE 26 Ca 0.11 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 3kp1 h PHE 26 Cb 0.76 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3kp1 h PHE 26 CO 0.05 -0.07 -0.80 -1.49 -2.23 0.00 0.00 178.31 173.77 3kp1 h TRP 27 N 0.09 0.40 -0.71 0.41 4.06 -1.22 -1.99 115.95 116.99 3kp1 h TRP 27 Ca 0.18 -0.20 0.02 0.00 2.06 0.00 0.00 58.89 60.96 3kp1 h TRP 27 Cb 0.25 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.31 3kp1 h TRP 27 CO -0.26 0.97 0.45 1.49 -3.56 0.00 0.00 178.44 177.54 3kp1 h GLU 28 N 0.18 0.87 -0.21 0.49 4.57 -0.48 -1.39 114.58 118.61 3kp1 h GLU 28 Ca -0.04 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 3kp1 h GLU 28 Cb 1.40 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3kp1 h GLU 28 CO 0.13 0.58 -0.15 0.52 -1.18 0.00 0.00 179.01 178.91 3kp1 h MET 29 N 0.90 0.47 -0.95 1.92 2.86 -1.12 -2.12 114.93 116.88 3kp1 h MET 29 Ca 0.28 -0.22 0.16 0.00 -2.06 0.00 0.00 59.70 57.86 3kp1 h MET 29 Cb -0.01 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.55 3kp1 h MET 29 CO -0.10 0.78 0.56 0.00 1.06 0.00 0.00 176.91 179.21 3kp1 h ALA 30 N 0.68 1.51 -0.35 6.32 0.00 -1.16 0.96 119.26 127.21 3kp1 h ALA 30 Ca 0.04 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3kp1 h ALA 30 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kp1 h ALA 30 CO 0.04 -0.02 -0.43 1.49 0.00 0.00 0.00 179.25 180.33 3kp1 h GLU 31 N 0.75 0.89 -0.91 0.00 4.81 -1.13 -1.88 114.58 117.11 3kp1 h GLU 31 Ca 0.53 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3kp1 h GLU 31 Cb 0.75 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3kp1 h GLU 31 CO -0.36 1.14 0.51 0.87 -0.73 0.00 0.00 179.01 180.44 3kp1 h LYS 32 N 0.71 1.26 -0.51 1.92 1.57 -0.46 -2.04 116.57 119.01 3kp1 h LYS 32 Ca 0.05 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3kp1 h LYS 32 Cb 1.02 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3kp1 h LYS 32 CO 0.10 0.91 0.07 0.82 -0.57 0.00 0.00 179.45 180.78 3kp1 h ILE 33 N 1.26 1.25 0.00 1.86 2.04 -0.56 -3.26 117.51 120.11 3kp1 h ILE 33 Ca 0.32 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3kp1 h ILE 33 Cb 0.01 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3kp1 h ILE 33 CO -0.05 0.34 -0.58 -0.37 0.00 0.00 0.00 178.15 177.48 3kp1 h VAL 34 N 0.73 0.02 -0.57 1.67 -1.51 -1.25 -3.38 116.25 111.97 3kp1 h VAL 34 Ca 0.15 -1.04 0.11 0.00 -1.23 0.00 0.00 66.70 64.70 3kp1 h VAL 34 Cb 0.41 1.73 -0.09 0.00 -2.13 0.00 0.00 31.29 31.22 3kp1 h VAL 34 CO 0.01 0.01 0.04 0.44 -1.23 0.00 0.00 177.57 176.84 3kp1 h ASP 35 N 0.00 -0.17 0.09 4.19 3.32 -1.41 0.11 116.42 122.55 3kp1 h ASP 35 Ca -0.00 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3kp1 h ASP 35 Cb 1.02 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3kp1 h ASP 35 CO 0.00 -0.07 -0.07 -0.65 -1.72 0.00 0.00 179.24 176.73 3kp1 h PRO 36 N 0.16 0.00 0.07 3.56 0.11 -1.76 -0.52 132.00 133.62 3kp1 h PRO 36 Ca 0.30 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.14 3kp1 h PRO 36 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.58 3kp1 h PRO 36 CO -0.45 0.07 -1.12 -0.07 -0.21 0.00 0.00 178.00 176.22 3kp1 h LEU 37 N 0.00 0.66 -0.57 2.35 3.38 -1.26 -2.09 115.31 117.79 3kp1 h LEU 37 Ca -0.00 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 3kp1 h LEU 37 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kp1 h LEU 37 CO 0.01 1.41 -0.04 -0.07 0.09 0.00 0.00 178.44 179.84 3kp1 h LEU 38 N 0.23 1.02 -0.98 1.67 3.38 -0.79 -2.64 115.31 117.20 3kp1 h LEU 38 Ca -0.13 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.54 3kp1 h LEU 38 Cb 1.79 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 3kp1 h LEU 38 CO 0.20 1.10 0.64 -0.78 0.09 0.00 0.00 178.44 179.70 3kp1 h ASP 39 N 0.92 1.09 -0.82 -0.43 3.58 -1.06 -1.46 116.42 118.24 3kp1 h ASP 39 Ca 0.16 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.63 3kp1 h ASP 39 Cb 0.60 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.34 3kp1 h ASP 39 CO 0.04 0.77 0.52 -0.07 -2.88 0.00 0.00 179.24 177.61 3kp1 h LEU 40 N 1.28 0.84 -1.11 2.28 3.38 -1.23 -2.55 115.31 118.20 3kp1 h LEU 40 Ca 0.37 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 3kp1 h LEU 40 Cb -0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3kp1 h LEU 40 CO -0.10 0.57 -0.40 1.23 0.09 0.00 0.00 178.44 179.83 3kp1 h GLY 41 N 0.99 0.10 1.11 0.83 0.00 -0.93 -2.41 103.07 102.76 3kp1 h GLY 41 Ca 0.34 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.46 3kp1 h GLY 41 CO -0.13 0.08 -0.09 0.50 0.00 0.00 0.00 176.54 176.90 3kp1 h LYS 42 N 0.08 1.04 -0.02 4.80 1.57 -0.98 -3.35 116.57 119.70 3kp1 h LYS 42 Ca 0.01 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3kp1 h LYS 42 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kp1 h LYS 42 CO 0.06 1.07 -0.32 1.63 -0.57 0.00 0.00 179.45 181.32 3kp1 n LYS 43 N -4.15 1.55 -4.23 3.15 5.02 -0.99 -4.98 118.16 113.53 3kp1 n LYS 43 Ca 0.02 -1.21 -0.13 0.00 -2.02 0.00 0.00 58.31 54.97 3kp1 n LYS 43 Cb 0.39 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 3kp1 n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kp1 s ASN 44 N -2.20 0.81 0.33 4.39 0.01 -0.92 -5.09 114.94 112.26 3kp1 s ASN 44 Ca 0.20 -1.26 0.05 0.00 -0.71 0.00 0.00 52.86 51.13 3kp1 s ASN 44 Cb 0.17 0.21 -0.03 0.00 0.41 0.00 0.00 41.25 42.02 3kp1 s ASN 44 CO 0.46 -0.69 0.21 0.28 -1.51 0.00 0.00 177.10 175.85 3kp1 s THR 45 N -3.86 0.20 0.20 1.60 -1.32 -1.26 -4.80 115.64 106.40 3kp1 s THR 45 Ca 0.29 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.70 3kp1 s THR 45 Cb 0.07 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.58 3kp1 s THR 45 CO 0.07 0.00 0.29 0.42 -2.21 0.00 0.00 174.62 173.19 3kp1 s THR 46 N -3.49 0.03 0.36 5.08 -4.23 -1.26 -5.04 115.64 107.08 3kp1 s THR 46 Ca 0.36 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 3kp1 s THR 46 Cb 0.03 -2.16 0.20 0.00 1.34 0.00 0.00 72.50 71.91 3kp1 s THR 46 CO 0.21 -0.13 1.94 -0.65 -0.54 0.00 0.00 174.62 175.46 3kp1 h PRO 47 N 2.49 0.54 -0.23 3.99 0.11 -1.99 -1.76 132.00 135.16 3kp1 h PRO 47 Ca -0.31 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 3kp1 h PRO 47 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kp1 h PRO 47 CO 0.46 0.49 -0.40 0.66 -0.21 0.00 0.00 178.00 179.00 3kp1 h SER 48 N 0.53 0.74 -0.47 -2.05 4.64 -1.98 -0.43 113.55 114.53 3kp1 h SER 48 Ca 0.13 -0.53 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3kp1 h SER 48 Cb 0.19 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 3kp1 h SER 48 CO -0.01 1.13 0.22 0.40 -0.87 0.00 0.00 176.83 177.71 3kp1 h ILE 49 N 0.38 0.93 -0.52 0.95 2.04 -1.92 0.63 117.51 120.00 3kp1 h ILE 49 Ca 0.01 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3kp1 h ILE 49 Cb 0.99 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3kp1 h ILE 49 CO 0.09 0.08 -0.04 -0.33 0.00 0.00 0.00 178.15 177.95 3kp1 h GLU 50 N 0.43 0.95 -0.66 2.37 4.39 -1.27 -1.48 114.58 119.32 3kp1 h GLU 50 Ca 0.21 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3kp1 h GLU 50 Cb 0.15 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3kp1 h GLU 50 CO -0.17 0.98 0.40 0.00 -1.16 0.00 0.00 179.01 179.07 3kp1 h ARG 51 N 0.82 0.89 -0.00 2.33 3.08 -0.81 -1.81 114.38 118.87 3kp1 h ARG 51 Ca 0.14 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kp1 h ARG 51 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3kp1 h ARG 51 CO 0.03 0.62 -0.46 0.66 -1.07 0.00 0.00 179.97 179.75 3kp1 h SER 52 N 0.90 0.01 0.05 7.04 4.64 -0.44 0.36 113.55 126.11 3kp1 h SER 52 Ca 0.24 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3kp1 h SER 52 Cb -0.04 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kp1 h SER 52 CO -0.05 0.47 -0.02 0.58 -0.87 0.00 0.00 176.83 176.94 3kp1 h VAL 53 N 0.01 1.15 -0.82 0.95 2.07 -0.63 -2.63 116.25 116.35 3kp1 h VAL 53 Ca -0.00 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3kp1 h VAL 53 Cb 0.82 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 3kp1 h VAL 53 CO 0.06 0.17 0.47 -0.07 0.02 0.00 0.00 177.57 178.22 3kp1 h LEU 54 N -0.35 0.68 -1.07 2.57 3.38 -1.05 -0.82 115.31 118.65 3kp1 h LEU 54 Ca -0.01 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3kp1 h LEU 54 Cb 0.32 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3kp1 h LEU 54 CO 0.01 0.39 0.63 -0.07 0.09 0.00 0.00 178.44 179.49 3kp1 h LEU 55 N 0.80 1.02 -1.09 1.67 3.38 -0.91 -1.74 115.31 118.43 3kp1 h LEU 55 Ca 0.40 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 3kp1 h LEU 55 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kp1 h LEU 55 CO -0.24 0.69 -0.20 0.03 0.09 0.00 0.00 178.44 178.80 3kp1 h ARG 56 N 1.18 0.00 -0.00 1.13 3.08 -0.80 -2.22 114.38 116.74 3kp1 h ARG 56 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3kp1 h ARG 56 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kp1 h ARG 56 CO -0.13 0.20 -0.12 -1.33 -1.07 0.00 0.00 179.97 177.52 3kp1 n MET 57 N -3.35 0.73 -0.15 0.04 2.81 -0.58 -4.92 117.12 111.70 3kp1 n MET 57 Ca 0.00 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 3kp1 n MET 57 Cb 0.43 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 3kp1 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kp1 n GLY 58 N 1.28 1.50 3.74 3.03 0.00 -0.83 -4.89 105.19 109.02 3kp1 n GLY 58 Ca 0.14 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3kp1 n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kp1 s PHE 59 N -2.03 3.04 0.90 1.61 0.08 -0.81 -5.03 117.98 115.75 3kp1 s PHE 59 Ca 0.00 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.88 3kp1 s PHE 59 Cb 0.00 -1.49 0.13 0.00 -0.57 0.00 0.00 43.02 41.10 3kp1 s PHE 59 CO 0.00 0.51 1.17 -1.54 -0.10 0.00 0.00 175.22 175.26 3kp1 s SER 60 N -2.89 3.64 0.24 1.36 1.04 -1.26 -4.19 113.70 111.63 3kp1 s SER 60 Ca 0.29 0.82 -0.07 0.00 0.48 0.00 0.00 55.95 57.47 3kp1 s SER 60 Cb -0.10 -1.30 0.23 0.00 0.10 0.00 0.00 66.02 64.95 3kp1 s SER 60 CO 0.21 -2.46 1.91 0.77 0.98 0.00 0.00 173.24 174.66 3kp1 h SER 61 N -1.44 1.07 -0.22 7.02 4.64 -1.98 0.06 113.55 122.69 3kp1 h SER 61 Ca -0.48 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 3kp1 h SER 61 Cb 1.32 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3kp1 h SER 61 CO 0.59 0.77 0.03 -0.07 -0.87 0.00 0.00 176.83 177.29 3kp1 h LEU 62 N 1.26 0.35 -0.90 5.97 3.38 -2.00 -2.18 115.31 121.19 3kp1 h LEU 62 Ca 0.34 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3kp1 h LEU 62 Cb -0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3kp1 h LEU 62 CO -0.08 0.52 0.21 -0.33 0.09 0.00 0.00 178.44 178.86 3kp1 h GLU 63 N 0.16 1.02 -0.34 1.13 5.08 -1.88 -2.52 114.58 117.23 3kp1 h GLU 63 Ca 0.07 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3kp1 h GLU 63 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3kp1 h GLU 63 CO 0.00 0.87 0.12 0.00 -1.00 0.00 0.00 179.01 179.01 3kp1 h ALA 64 N 1.24 0.44 -0.43 3.43 0.00 -0.85 -1.88 119.26 121.23 3kp1 h ALA 64 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kp1 h ALA 64 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kp1 h ALA 64 CO -0.01 0.07 0.25 -0.22 0.00 0.00 0.00 179.25 179.34 3kp1 h LYS 65 N 0.40 0.50 -0.51 0.00 3.64 -1.29 -1.69 116.57 117.61 3kp1 h LYS 65 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kp1 h LYS 65 Cb 0.22 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3kp1 h LYS 65 CO -0.01 0.33 0.33 0.00 -2.27 0.00 0.00 179.45 177.83 3kp1 h ALA 66 N 1.19 0.65 -0.63 5.00 0.00 -1.27 -0.57 119.26 123.62 3kp1 h ALA 66 Ca 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kp1 h ALA 66 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3kp1 h ALA 66 CO -0.07 0.10 0.13 0.82 0.00 0.00 0.00 179.25 180.23 3kp1 h ILE 67 N 0.69 1.26 -0.14 0.00 2.04 -1.19 -2.55 117.51 117.62 3kp1 h ILE 67 Ca 0.19 -0.96 -0.22 0.00 1.00 0.00 0.00 64.86 64.87 3kp1 h ILE 67 Cb -0.06 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3kp1 h ILE 67 CO -0.04 0.36 -0.77 0.58 0.00 0.00 0.00 178.15 178.28 3kp1 h VAL 68 N 0.93 1.29 -0.78 1.67 2.07 -1.16 0.18 116.25 120.46 3kp1 h VAL 68 Ca 0.19 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.77 3kp1 h VAL 68 Cb 0.39 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 3kp1 h VAL 68 CO 0.01 0.63 0.48 0.44 0.02 0.00 0.00 177.57 179.14 3kp1 h ASP 69 N 0.50 0.75 -0.18 0.57 3.32 -1.11 -0.46 116.42 119.81 3kp1 h ASP 69 Ca -0.05 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.85 3kp1 h ASP 69 Cb 1.39 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3kp1 h ASP 69 CO 0.16 0.49 -0.47 0.11 -1.72 0.00 0.00 179.24 177.81 3kp1 h LYS 70 N 0.89 0.74 -0.34 3.56 1.57 -1.38 -0.66 116.57 120.94 3kp1 h LYS 70 Ca 0.33 -0.42 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kp1 h LYS 70 Cb 0.12 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3kp1 h LYS 70 CO -0.15 1.05 0.09 1.15 -0.57 0.00 0.00 179.45 181.01 3kp1 h THR 71 N 0.59 0.86 -0.36 -0.16 2.02 -0.49 -0.54 112.91 114.82 3kp1 h THR 71 Ca 0.03 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3kp1 h THR 71 Cb 1.03 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3kp1 h THR 71 CO 0.10 0.04 0.14 0.24 0.37 0.00 0.00 175.52 176.41 3kp1 h MET 72 N 0.22 0.54 -0.63 6.66 2.86 -0.97 -1.27 114.93 122.34 3kp1 h MET 72 Ca 0.16 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 3kp1 h MET 72 Cb 0.16 -0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.61 3kp1 h MET 72 CO -0.19 0.54 -0.20 -0.44 1.06 0.00 0.00 176.91 177.68 3kp1 h ASP 73 N 0.43 -0.72 -0.04 1.22 5.19 -0.70 -2.02 116.42 119.79 3kp1 h ASP 73 Ca 0.12 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 3kp1 h ASP 73 Cb 0.21 0.44 0.00 0.00 0.18 0.00 0.00 39.33 40.15 3kp1 h ASP 73 CO -0.01 -0.24 0.00 0.54 -3.12 0.00 0.00 179.24 176.41 3kp1 n ARG 74 N -5.44 1.25 -1.94 3.56 5.12 -0.25 -4.91 116.66 114.05 3kp1 n ARG 74 Ca 0.07 -0.38 -0.11 0.00 -1.93 0.00 0.00 57.85 55.50 3kp1 n ARG 74 Cb 0.34 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.24 3kp1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kp1 n GLY 75 N 0.96 0.31 0.96 -0.13 0.00 -0.76 -4.94 105.19 101.59 3kp1 n GLY 75 Ca 0.17 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.83 3kp1 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kp1 n LEU 76 N -1.51 3.92 0.09 0.99 4.77 -0.54 -4.63 117.00 120.09 3kp1 n LEU 76 Ca -0.13 -2.85 0.04 0.00 -0.03 0.00 0.00 56.01 53.05 3kp1 n LEU 76 Cb 0.53 -0.51 0.47 0.00 -2.33 0.00 0.00 43.42 41.57 3kp1 n LEU 76 CO 0.16 0.68 1.08 0.24 -1.33 0.00 0.00 177.39 178.22 3kp1 h MET 77 N 2.07 0.35 0.00 3.23 2.86 -1.91 -2.08 114.93 119.44 3kp1 h MET 77 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3kp1 h MET 77 Cb 1.39 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.98 3kp1 h MET 77 CO 0.21 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.87 3kp1 n GLY 78 N -1.36 -0.95 0.07 8.32 0.00 -1.26 -1.84 105.19 108.17 3kp1 n GLY 78 Ca 0.01 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3kp1 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kp1 n LYS 79 N -1.91 0.64 -0.04 1.61 4.76 -0.78 -5.07 118.16 117.37 3kp1 n LYS 79 Ca 0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3kp1 n LYS 79 Cb 0.12 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 3kp1 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kp1 n GLY 80 N 1.34 0.86 0.29 0.72 0.00 -0.77 -4.53 105.19 103.09 3kp1 n GLY 80 Ca -0.08 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.70 3kp1 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 h ALA 81 N 0.00 1.35 -0.24 4.61 0.00 -1.83 -0.37 119.26 122.78 3kp1 h ALA 81 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3kp1 h ALA 81 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kp1 h ALA 81 CO 0.00 0.46 -0.41 0.78 0.00 0.00 0.00 179.25 180.08 3kp1 h GLY 82 N 0.86 0.61 0.86 0.00 0.00 -1.91 -2.32 103.07 101.17 3kp1 h GLY 82 Ca 0.14 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3kp1 h GLY 82 CO 0.00 0.55 0.03 0.84 0.00 0.00 0.00 176.54 177.97 3kp1 h HIS 83 N 0.46 0.12 -0.74 5.60 6.17 -1.60 -0.26 115.15 124.90 3kp1 h HIS 83 Ca 0.04 -0.01 0.12 0.00 0.71 0.00 0.00 60.37 61.23 3kp1 h HIS 83 Cb 0.91 -0.04 -0.08 0.00 2.52 0.00 0.00 27.41 30.71 3kp1 h HIS 83 CO 0.04 0.24 0.33 0.82 0.71 0.00 0.00 177.93 180.07 3kp1 h ILE 84 N -0.03 0.74 -0.62 6.26 2.04 -1.01 0.29 117.51 125.18 3kp1 h ILE 84 Ca 0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3kp1 h ILE 84 Cb 0.17 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3kp1 h ILE 84 CO -0.00 0.10 0.22 0.58 0.00 0.00 0.00 178.15 179.05 3kp1 h VAL 85 N 0.52 1.24 -0.29 1.67 2.07 -1.10 -2.37 116.25 117.99 3kp1 h VAL 85 Ca 0.39 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3kp1 h VAL 85 Cb 0.52 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3kp1 h VAL 85 CO -0.34 0.30 0.02 0.22 0.02 0.00 0.00 177.57 177.79 3kp1 h TYR 86 N 0.88 0.52 -0.39 1.57 3.20 0.00 -2.19 116.97 120.57 3kp1 h TYR 86 Ca 0.20 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3kp1 h TYR 86 Cb 0.24 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3kp1 h TYR 86 CO 0.02 0.61 0.19 0.87 -1.64 0.00 0.00 178.16 178.20 3kp1 h LYS 87 N 0.29 0.55 -0.50 1.82 1.79 -0.41 -2.19 116.57 117.93 3kp1 h LYS 87 Ca 0.08 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3kp1 h LYS 87 Cb 0.38 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 3kp1 h LYS 87 CO 0.01 0.48 0.23 0.82 -1.08 0.00 0.00 179.45 179.91 3kp1 h ILE 88 N 0.49 1.20 -0.85 1.86 1.08 -1.46 -1.45 117.51 118.37 3kp1 h ILE 88 Ca 0.13 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 3kp1 h ILE 88 Cb 0.11 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 3kp1 h ILE 88 CO -0.02 0.22 0.55 0.00 -0.69 0.00 0.00 178.15 178.22 3kp1 h ALA 89 N 1.07 1.56 0.03 1.87 0.00 -1.19 -0.73 119.26 121.87 3kp1 h ALA 89 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kp1 h ALA 89 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kp1 h ALA 89 CO -0.02 0.32 -0.01 0.87 0.00 0.00 0.00 179.25 180.41 3kp1 h LYS 90 N 0.96 -0.04 -0.12 0.00 1.57 -1.04 -0.90 116.57 117.01 3kp1 h LYS 90 Ca 0.36 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 3kp1 h LYS 90 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3kp1 h LYS 90 CO -0.13 0.48 -0.26 0.93 -0.57 0.00 0.00 179.45 179.91 3kp1 h GLU 91 N -0.57 0.20 -0.02 3.15 5.08 -1.08 -2.72 114.58 118.62 3kp1 h GLU 91 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3kp1 h GLU 91 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3kp1 h GLU 91 CO 0.01 0.45 -0.08 1.63 -1.00 0.00 0.00 179.01 180.02 3kp1 n LYS 92 N -4.17 1.74 -3.82 2.33 4.76 -0.30 -4.97 118.16 113.73 3kp1 n LYS 92 Ca -0.01 -1.24 -0.32 0.00 -2.87 0.00 0.00 58.31 53.87 3kp1 n LYS 92 Cb 0.36 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.09 3kp1 n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kp1 n ASN 93 N 0.45 -3.67 -4.29 4.39 4.13 -0.70 -5.01 115.26 110.56 3kp1 n ASN 93 Ca 0.15 -1.06 -0.22 0.00 1.68 0.00 0.00 54.58 55.13 3kp1 n ASN 93 Cb 0.45 -3.02 -0.10 0.00 -1.54 0.00 0.00 39.78 35.58 3kp1 n ASN 93 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3kp1 s ILE 94 N -3.62 0.83 0.59 2.41 -4.36 -0.43 -5.05 121.20 111.58 3kp1 s ILE 94 Ca 0.34 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.57 3kp1 s ILE 94 Cb -0.14 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 3kp1 s ILE 94 CO 0.89 0.00 1.07 -0.94 0.24 0.00 0.00 174.94 176.20 3kp1 s SER 95 N -3.50 5.67 0.24 4.36 1.04 -1.26 -4.57 113.70 115.68 3kp1 s SER 95 Ca 0.32 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 3kp1 s SER 95 Cb 0.06 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 64.09 3kp1 s SER 95 CO 0.15 -1.24 1.70 0.58 0.98 0.00 0.00 173.24 175.40 3kp1 h VAL 96 N 0.51 0.56 -0.42 5.02 2.07 -1.91 -0.78 116.25 121.29 3kp1 h VAL 96 Ca -0.47 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3kp1 h VAL 96 Cb 1.23 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3kp1 h VAL 96 CO 0.57 0.06 0.25 -0.09 0.02 0.00 0.00 177.57 178.38 3kp1 h ARG 97 N 0.31 0.50 -0.33 1.57 9.65 -1.91 -1.29 114.38 122.88 3kp1 h ARG 97 Ca 0.41 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.23 3kp1 h ARG 97 Cb 0.67 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 3kp1 h ARG 97 CO -0.47 0.33 0.12 0.93 2.80 0.00 0.00 179.97 183.68 3kp1 h GLU 98 N 0.51 0.51 -0.87 0.20 4.39 -1.71 -1.11 114.58 116.51 3kp1 h GLU 98 Ca 0.16 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3kp1 h GLU 98 Cb -0.01 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 3kp1 h GLU 98 CO -0.07 0.52 0.57 0.00 -1.16 0.00 0.00 179.01 178.87 3kp1 h ALA 99 N 0.96 1.11 -0.20 3.43 0.00 -0.92 -1.10 119.26 122.54 3kp1 h ALA 99 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kp1 h ALA 99 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kp1 h ALA 99 CO -0.01 0.47 -0.08 0.78 0.00 0.00 0.00 179.25 180.42 3kp1 h GLY 100 N 1.14 0.44 1.09 0.00 0.00 -1.05 -0.65 103.07 104.05 3kp1 h GLY 100 Ca 0.33 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3kp1 h GLY 100 CO -0.08 0.35 0.58 -2.00 0.00 0.00 0.00 176.54 175.38 3kp1 h LEU 101 N 0.12 0.97 -0.05 3.11 5.85 -1.01 0.59 115.31 124.88 3kp1 h LEU 101 Ca 0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kp1 h LEU 101 Cb 0.55 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3kp1 h LEU 101 CO 0.03 0.69 -0.02 0.00 -0.34 0.00 0.00 178.44 178.79 3kp1 h ALA 102 N 1.47 0.07 -0.98 1.25 0.00 -1.00 -2.75 119.26 117.32 3kp1 h ALA 102 Ca 0.33 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3kp1 h ALA 102 Cb -0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 3kp1 h ALA 102 CO -0.09 -0.21 0.63 -0.07 0.00 0.00 0.00 179.25 179.52 3kp1 h LEU 103 N -0.27 1.01 -1.19 0.00 3.38 -0.86 -0.82 115.31 116.56 3kp1 h LEU 103 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kp1 h LEU 103 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kp1 h LEU 103 CO 0.01 0.65 0.00 0.77 0.09 0.00 0.00 178.44 179.95 3kp1 h SER 104 N 1.15 0.00 -0.01 -0.43 4.64 -0.75 -1.90 113.55 116.26 3kp1 h SER 104 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3kp1 h SER 104 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kp1 h SER 104 CO -0.17 0.00 -0.35 -0.62 -0.87 0.00 0.00 176.83 174.82 3kp1 n GLU 105 N -2.50 1.86 0.00 4.77 1.02 -0.69 -4.72 120.64 120.39 3kp1 n GLU 105 Ca 0.01 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 3kp1 n GLU 105 Cb 0.20 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3kp1 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kp1 n GLY 106 N 1.11 0.90 3.88 0.62 0.00 -0.48 -5.08 105.19 106.13 3kp1 n GLY 106 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3kp1 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kp1 s LYS 107 N -0.27 3.77 0.00 1.61 1.02 -0.44 -4.36 119.74 121.07 3kp1 s LYS 107 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.41 3kp1 s LYS 107 Cb 0.00 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3kp1 s LYS 107 CO 0.00 0.00 0.00 0.66 -0.92 0.00 0.00 175.35 175.09 3kp1 n TYR 108 N -1.22 0.00 -0.07 3.18 4.01 -1.26 -3.66 117.16 118.15 3kp1 n TYR 108 Ca 0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.69 3kp1 n TYR 108 Cb 0.54 -0.16 0.10 0.00 -0.31 0.00 0.00 39.34 39.51 3kp1 n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kp1 h TRP 109 N 0.00 0.82 -0.39 -0.72 4.06 -1.94 0.30 115.95 118.07 3kp1 h TRP 109 Ca 0.00 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.76 3kp1 h TRP 109 Cb 0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 3kp1 h TRP 109 CO 0.01 0.89 0.25 -0.44 -3.56 0.00 0.00 178.44 175.59 3kp1 h ASP 110 N 0.62 0.46 -0.66 -3.49 3.32 -1.91 0.39 116.42 115.15 3kp1 h ASP 110 Ca 0.08 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kp1 h ASP 110 Cb 0.74 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3kp1 h ASP 110 CO 0.06 0.35 0.38 0.44 -1.72 0.00 0.00 179.24 178.75 3kp1 h ASP 111 N 0.52 0.80 0.49 6.45 3.32 -1.87 -0.07 116.42 126.06 3kp1 h ASP 111 Ca 0.14 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3kp1 h ASP 111 Cb -0.03 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3kp1 h ASP 111 CO -0.03 0.64 -0.25 0.00 -1.72 0.00 0.00 179.24 177.88 3kp1 h ALA 112 N 1.19 -0.68 -1.00 3.45 0.00 -0.11 -1.72 119.26 120.39 3kp1 h ALA 112 Ca 0.23 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.19 3kp1 h ALA 112 Cb -0.00 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 3kp1 h ALA 112 CO -0.04 -0.89 0.61 0.82 0.00 0.00 0.00 179.25 179.76 3kp1 h ILE 113 N -0.68 0.71 0.00 0.00 2.04 -0.74 -3.51 117.51 115.33 3kp1 h ILE 113 Ca -0.06 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3kp1 h ILE 113 Cb 0.53 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3kp1 h ILE 113 CO 0.09 0.14 0.00 1.67 0.00 0.00 0.00 178.15 180.05