#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 3.15 0.23 -1.55 2.46 -1.26 -4.96 115.29 113.37 2k2r s HIS 2 Ca 0.00 1.10 -0.30 0.00 0.47 0.00 0.00 55.06 56.34 2k2r s HIS 2 Cb 0.00 -3.71 -0.09 0.00 -0.13 0.00 0.00 32.58 28.66 2k2r s HIS 2 CO 0.00 -2.28 1.15 -2.00 -2.47 0.00 0.00 174.74 169.13 2k2r s GLU 3 N -0.10 4.56 -0.06 2.88 2.56 -1.26 -4.97 118.70 122.33 2k2r s GLU 3 Ca 0.59 1.84 -0.30 0.00 0.00 0.00 0.00 54.97 57.09 2k2r s GLU 3 Cb -0.39 -3.22 -0.04 0.00 2.00 0.00 0.00 34.13 32.48 2k2r s GLU 3 CO 0.39 0.06 1.34 0.50 -0.56 0.00 0.00 175.26 176.99 2k2r s ARG 4 N -0.84 4.28 0.00 4.30 3.00 -1.26 -4.92 118.95 123.51 2k2r s ARG 4 Ca 0.48 1.84 0.00 0.00 -1.00 0.00 0.00 55.73 57.05 2k2r s ARG 4 Cb -0.32 -3.65 0.00 0.00 0.00 0.00 0.00 34.95 30.98 2k2r s ARG 4 CO 0.39 -0.59 0.00 -3.47 0.00 0.00 0.00 175.30 171.63 2k2r n ASP 5 N 5.75 0.42 -0.07 -2.12 -0.08 -1.26 -5.07 116.55 114.12 2k2r n ASP 5 Ca 0.13 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.32 2k2r n ASP 5 Cb 0.45 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.84 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2r h ALA 6 N 1.23 0.05 -1.05 -1.67 0.00 -2.03 -3.37 119.26 112.42 2k2r h ALA 6 Ca 0.00 -0.47 0.36 0.00 0.00 0.00 0.00 54.91 54.81 2k2r h ALA 6 Cb 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 2k2r h ALA 6 CO 0.00 0.21 0.61 0.74 0.00 0.00 0.00 179.25 180.81 2k2r h PHE 7 N -1.00 0.83 0.00 0.00 0.04 -1.97 -2.69 116.94 112.16 2k2r h PHE 7 Ca -0.06 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2k2r h PHE 7 Cb 0.65 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2k2r h PHE 7 CO 0.07 -0.26 0.00 -0.40 -0.60 0.00 0.00 178.31 177.13 2k2r n ASP 8 N -5.04 0.00 -0.29 2.17 5.68 -1.26 0.16 116.55 117.98 2k2r n ASP 8 Ca 0.34 0.60 0.24 0.00 -0.50 0.00 0.00 54.79 55.47 2k2r n ASP 8 Cb 1.14 -0.10 0.56 0.00 -1.14 0.00 0.00 41.12 41.57 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k2r h THR 9 N 0.00 0.56 0.29 2.12 2.02 -1.73 1.31 112.91 117.47 2k2r h THR 9 Ca 0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2k2r h THR 9 Cb 0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2k2r h THR 9 CO 0.00 0.06 -0.14 -0.07 0.37 0.00 0.00 175.52 175.74 2k2r h LEU 10 N 0.31 -0.33 -1.03 2.58 -0.00 -1.05 -2.07 115.31 113.72 2k2r h LEU 10 Ca 0.54 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.43 2k2r h LEU 10 Cb 1.52 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.27 2k2r h LEU 10 CO -0.20 0.05 0.00 -0.26 -0.00 0.00 0.00 178.44 178.03 2k2r h PHE 11 N -0.96 0.00 0.00 1.13 -1.00 0.20 0.53 116.94 116.85 2k2r h PHE 11 Ca -0.04 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 2k2r h PHE 11 Cb 0.30 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 2k2r h PHE 11 CO 0.01 0.00 -0.01 0.22 -1.61 0.00 0.00 178.31 176.92 2k2r h ASP 12 N 0.00 0.00 -0.49 2.17 3.58 0.17 -3.41 116.42 118.44 2k2r h ASP 12 Ca 0.00 -0.68 -0.36 0.00 0.42 0.00 0.00 57.03 56.41 2k2r h ASP 12 Cb 0.31 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.00 2k2r h ASP 12 CO 0.00 0.85 -0.86 1.57 -2.88 0.00 0.00 179.24 177.91 2k2r n HIS 13 N -4.66 1.73 -2.70 0.28 -0.00 -0.78 -4.88 115.22 104.21 2k2r n HIS 13 Ca -0.07 -1.96 -0.06 0.00 0.46 0.00 0.00 57.72 56.10 2k2r n HIS 13 Cb 0.33 -0.28 0.08 0.00 -0.12 0.00 0.00 29.99 30.00 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N -0.65 -2.43 0.34 1.57 0.00 0.19 -4.93 120.51 114.58 2k2r n ALA 14 Ca 0.28 -0.80 0.14 0.00 0.00 0.00 0.00 53.44 53.06 2k2r n ALA 14 Cb 0.90 -2.38 0.49 0.00 0.00 0.00 0.00 19.45 18.47 2k2r n ALA 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k2r h PRO 15 N 3.05 0.00 0.12 0.00 0.14 -1.84 -3.14 132.00 130.34 2k2r h PRO 15 Ca -0.21 0.00 -0.31 0.00 0.14 0.00 0.00 66.00 65.61 2k2r h PRO 15 Cb 1.15 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.28 2k2r h PRO 15 CO 0.04 0.00 -1.63 0.22 0.14 0.00 0.00 178.00 176.76 2k2r h ASP 16 N 0.00 0.41 -0.44 1.44 1.82 -1.93 -3.36 116.42 114.36 2k2r h ASP 16 Ca 0.00 -0.87 0.00 0.00 -0.39 0.00 0.00 57.03 55.77 2k2r h ASP 16 Cb 0.62 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 2k2r h ASP 16 CO 0.00 1.71 0.29 0.11 -1.61 0.00 0.00 179.24 179.74 2k2r h LYS 17 N -0.17 0.59 -1.06 0.28 1.57 -1.93 -1.40 116.57 114.44 2k2r h LYS 17 Ca -0.35 -0.04 0.29 0.00 -1.87 0.00 0.00 60.65 58.68 2k2r h LYS 17 Cb 1.87 -0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.94 2k2r h LYS 17 CO 0.07 0.40 0.65 -0.07 -0.57 0.00 0.00 179.45 179.94 2k2r h LEU 18 N 0.60 0.50 0.51 2.94 3.38 -1.71 0.58 115.31 122.11 2k2r h LEU 18 Ca 0.16 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2k2r h LEU 18 Cb -0.05 0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k2r h LEU 18 CO -0.03 0.03 -0.25 -1.13 0.09 0.00 0.00 178.44 177.15 2k2r h ASN 19 N 0.41 -0.58 -0.45 -0.43 -0.73 -1.41 -2.61 115.58 109.78 2k2r h ASN 19 Ca 0.65 -0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.80 2k2r h ASN 19 Cb 1.56 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 40.28 2k2r h ASN 19 CO -0.40 -0.19 0.30 0.58 -0.37 0.00 0.00 177.43 177.35 2k2r h VAL 20 N -1.07 1.05 -0.60 2.57 2.07 -0.88 -1.34 116.25 118.06 2k2r h VAL 20 Ca -0.07 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2k2r h VAL 20 Cb 0.60 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2k2r h VAL 20 CO 0.12 0.09 0.19 0.58 0.02 0.00 0.00 177.57 178.57 2k2r h VAL 21 N 0.51 1.23 -0.68 2.57 2.07 0.16 -1.20 116.25 120.91 2k2r h VAL 21 Ca 0.18 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2k2r h VAL 21 Cb 0.10 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2k2r h VAL 21 CO -0.04 0.30 0.17 0.50 0.02 0.00 0.00 177.57 178.51 2k2r h LYS 22 N 0.87 1.08 0.00 1.57 3.64 -0.85 -1.29 116.57 121.59 2k2r h LYS 22 Ca 0.20 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k2r h LYS 22 Cb 0.24 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2k2r h LYS 22 CO -0.01 0.95 -0.01 0.87 -2.27 0.00 0.00 179.45 178.99 2k2r h LYS 23 N 1.03 0.00 0.00 1.90 1.79 -0.88 0.13 116.57 120.53 2k2r h LYS 23 Ca 0.22 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.51 2k2r h LYS 23 Cb 0.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2k2r h LYS 23 CO 0.00 0.01 -0.82 1.15 -1.08 0.00 0.00 179.45 178.71 2k2r h THR 24 N 0.00 1.50 0.00 -0.16 2.02 -0.49 -2.60 112.91 113.17 2k2r h THR 24 Ca -0.00 -2.88 -0.13 0.00 0.77 0.00 0.00 66.41 64.17 2k2r h THR 24 Cb 0.02 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 2k2r h THR 24 CO 0.00 0.80 -0.64 -0.07 0.37 0.00 0.00 175.52 175.98 2k2r h LEU 25 N 0.00 0.00 -0.85 2.58 3.38 -0.51 -2.28 115.31 117.63 2k2r h LEU 25 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2k2r h LEU 25 Cb 1.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 2k2r h LEU 25 CO 0.11 0.64 0.25 0.40 0.09 0.00 0.00 178.44 179.93 2k2r h ILE 26 N 0.00 1.25 -0.68 1.22 2.04 -0.80 -2.18 117.51 118.37 2k2r h ILE 26 Ca -0.01 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2k2r h ILE 26 Cb 1.14 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2k2r h ILE 26 CO 0.08 0.34 0.34 0.74 0.00 0.00 0.00 178.15 179.65 2k2r h THR 27 N 1.07 1.22 0.01 -0.27 2.02 -1.06 0.08 112.91 115.98 2k2r h THR 27 Ca 0.24 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.84 2k2r h THR 27 Cb 0.26 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2k2r h THR 27 CO -0.01 0.26 -0.35 0.15 0.37 0.00 0.00 175.52 175.93 2k2r h PHE 28 N 0.94 -0.98 -0.59 3.16 3.57 -1.02 -1.09 116.94 120.93 2k2r h PHE 28 Ca 0.23 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 2k2r h PHE 28 Cb 0.10 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2k2r h PHE 28 CO 0.00 -0.44 0.05 0.28 -2.23 0.00 0.00 178.31 175.97 2k2r h VAL 29 N -0.52 1.26 -0.09 1.41 2.07 -1.37 -1.41 116.25 117.60 2k2r h VAL 29 Ca 0.06 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2k2r h VAL 29 Cb 0.60 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2k2r h VAL 29 CO -0.28 0.38 0.27 -1.13 0.02 0.00 0.00 177.57 176.83 2k2r h ASN 30 N 0.91 0.00 0.00 0.57 -0.73 0.01 1.11 115.58 117.44 2k2r h ASN 30 Ca 0.18 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 2k2r h ASN 30 Cb 0.46 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.05 2k2r h ASN 30 CO 0.02 0.00 -0.02 0.50 -0.37 0.00 0.00 177.43 177.55 2k2r h LYS 31 N 0.00 0.00 0.00 6.67 3.64 -0.10 2.34 116.57 129.12 2k2r h LYS 31 Ca 0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2k2r h LYS 31 Cb 0.58 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2k2r h LYS 31 CO -0.00 0.48 -0.07 0.45 -2.27 0.00 0.00 179.45 178.04 2k2r h HIS 32 N -1.00 0.00 0.01 1.91 3.86 -1.07 -2.14 115.15 116.71 2k2r h HIS 32 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2k2r h HIS 32 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2k2r h HIS 32 CO 0.13 0.07 -0.48 -0.07 0.86 0.00 0.00 177.93 178.45 2k2r h LEU 33 N 0.00 0.03 -1.19 2.43 3.38 0.12 -3.24 115.31 116.84 2k2r h LEU 33 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2k2r h LEU 33 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k2r h LEU 33 CO 0.01 1.19 0.60 -1.13 0.09 0.00 0.00 178.44 179.20 2k2r h ASN 34 N -0.96 0.00 0.83 -0.43 -1.24 0.45 -0.44 115.58 113.79 2k2r h ASN 34 Ca -0.13 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.85 2k2r h ASN 34 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2k2r h ASN 34 CO -0.06 0.00 -0.47 0.50 -1.29 0.00 0.00 177.43 176.11 2k2r h LYS 35 N 0.00 -1.16 0.00 6.67 1.63 -1.43 -0.55 116.57 121.73 2k2r h LYS 35 Ca 0.00 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2k2r h LYS 35 Cb 1.21 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 2k2r h LYS 35 CO 0.00 -0.78 0.00 -0.11 -3.45 0.00 0.00 179.45 175.11 2k2r n LEU 36 N -5.46 0.00 -2.19 5.20 7.94 -0.29 -4.91 117.00 117.29 2k2r n LEU 36 Ca -0.15 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.73 2k2r n LEU 36 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2k2r n LEU 36 CO 0.35 0.00 -0.12 -0.46 -1.11 0.00 0.00 177.39 176.06 2k2r n ASN 37 N -0.85 -5.22 0.00 1.96 0.23 -0.21 -5.10 115.26 106.07 2k2r n ASN 37 Ca 0.16 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.73 2k2r n ASN 37 Cb 0.07 -3.35 0.00 0.00 -2.08 0.00 0.00 39.78 34.42 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -0.02 0.00 -3.37 -4.53 4.32 -1.17 -4.93 117.00 107.29 2k2r n LEU 38 Ca 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.04 2k2r n LEU 38 Cb 0.13 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.89 2k2r n LEU 38 CO 0.25 0.00 0.50 -0.70 -1.22 0.00 0.00 177.39 176.21 2k2r s GLU 39 N 1.40 0.35 0.41 3.23 2.12 -1.26 -4.48 118.70 120.48 2k2r s GLU 39 Ca 0.00 0.82 -0.04 0.00 0.36 0.00 0.00 54.97 56.11 2k2r s GLU 39 Cb 0.00 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 34.84 2k2r s GLU 39 CO 0.00 -0.19 0.68 0.54 -0.54 0.00 0.00 175.26 175.74 2k2r s VAL 40 N 2.65 4.98 0.00 3.70 0.11 -1.26 -5.00 120.40 125.58 2k2r s VAL 40 Ca -0.00 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2k2r s VAL 40 Cb -0.09 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 2k2r s VAL 40 CO -0.17 -0.66 0.00 0.41 -3.33 0.00 0.00 175.10 171.34 2k2r n THR 41 N -1.87 0.00 -3.67 5.04 -1.04 -1.26 -4.96 114.28 106.52 2k2r n THR 41 Ca -0.01 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 2k2r n THR 41 Cb 0.55 -0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.94 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N -0.35 1.41 0.22 -2.82 2.02 -1.26 -4.95 118.70 112.97 2k2r s GLU 42 Ca 0.00 -2.26 -0.08 0.00 0.02 0.00 0.00 54.97 52.65 2k2r s GLU 42 Cb 0.00 -2.32 0.31 0.00 0.10 0.00 0.00 34.13 32.22 2k2r s GLU 42 CO 0.00 -1.23 1.78 1.25 0.02 0.00 0.00 175.26 177.07 2k2r h LEU 43 N 6.27 0.42 -0.32 1.80 7.12 -1.94 -1.03 115.31 127.63 2k2r h LEU 43 Ca 0.08 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.19 2k2r h LEU 43 Cb 0.89 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.95 2k2r h LEU 43 CO 0.50 0.25 -0.42 -0.33 -0.13 0.00 0.00 178.44 178.30 2k2r h GLU 44 N 0.57 -0.28 0.00 1.25 5.08 -1.89 0.19 114.58 119.50 2k2r h GLU 44 Ca 0.33 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2k2r h GLU 44 Cb 0.34 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k2r h GLU 44 CO -0.26 -0.19 0.00 -2.37 -1.00 0.00 0.00 179.01 175.19 2k2r n THR 45 N -4.71 0.00 0.57 1.13 5.66 -1.02 -2.87 114.28 113.04 2k2r n THR 45 Ca -0.03 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.10 2k2r n THR 45 Cb 0.25 -0.54 0.45 0.00 -1.55 0.00 0.00 70.33 68.95 2k2r n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k2r n GLN 46 N -1.00 0.19 -0.00 1.09 1.13 0.05 -1.70 117.38 117.13 2k2r n GLN 46 Ca 0.22 0.27 0.10 0.00 -1.94 0.00 0.00 57.00 55.65 2k2r n GLN 46 Cb 0.10 -1.78 -0.13 0.00 0.11 0.00 0.00 30.24 28.54 2k2r n GLN 46 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2k2r n PHE 47 N -2.12 0.00 0.29 1.08 3.01 -1.14 -3.21 117.46 115.38 2k2r n PHE 47 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2k2r n PHE 47 Cb 0.33 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.83 1.69 -0.03 4.37 0.00 -0.69 -1.85 120.51 122.17 2k2r n ALA 48 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k2r n ALA 48 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2k2r n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k2r n ASP 49 N 0.71 0.00 -1.08 0.00 2.03 -1.26 -4.90 116.55 112.05 2k2r n ASP 49 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2k2r n ASP 49 Cb 0.13 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2r n GLY 50 N 0.00 0.49 0.05 0.27 0.00 -0.77 -4.75 105.19 100.48 2k2r n GLY 50 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2k2r n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k2r h VAL 51 N 0.00 0.00 0.00 1.61 2.07 -1.89 -2.90 116.25 115.13 2k2r h VAL 51 Ca -0.10 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2k2r h VAL 51 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2k2r h VAL 51 CO 0.15 0.00 0.08 -1.22 0.02 0.00 0.00 177.57 176.61 2k2r n TYR 52 N -4.44 0.17 0.01 1.57 4.01 -1.26 -1.86 117.16 115.35 2k2r n TYR 52 Ca -0.02 0.09 -0.02 0.00 -0.16 0.00 0.00 57.90 57.79 2k2r n TYR 52 Cb 0.09 -0.57 -0.01 0.00 -0.31 0.00 0.00 39.34 38.55 2k2r n TYR 52 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2k2r h LEU 53 N 0.00 -0.09 -2.17 7.72 5.85 -1.75 -2.15 115.31 122.71 2k2r h LEU 53 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2k2r h LEU 53 Cb 0.17 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2k2r h LEU 53 CO 0.00 0.25 0.28 0.58 -0.34 0.00 0.00 178.44 179.21 2k2r h VAL 54 N -0.74 0.16 0.15 1.05 2.07 -1.16 -0.98 116.25 116.81 2k2r h VAL 54 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2k2r h VAL 54 Cb 0.08 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2k2r h VAL 54 CO 0.02 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.78 2k2r h LEU 55 N 0.00 -0.17 -1.17 2.57 6.46 -1.39 -2.73 115.31 118.87 2k2r h LEU 55 Ca 0.05 -0.37 0.23 0.00 -0.12 0.00 0.00 57.88 57.67 2k2r h LEU 55 Cb 0.62 0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.50 2k2r h LEU 55 CO -0.00 0.36 0.62 0.17 -0.62 0.00 0.00 178.44 178.97 2k2r h LEU 56 N -0.80 0.62 -0.45 2.25 8.10 -0.49 0.26 115.31 124.80 2k2r h LEU 56 Ca -0.02 0.09 0.00 0.00 0.11 0.00 0.00 57.88 58.07 2k2r h LEU 56 Cb 0.53 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 2k2r h LEU 56 CO 0.03 0.17 0.29 0.24 -4.11 0.00 0.00 178.44 175.07 2k2r h MET 57 N 0.58 0.60 -0.11 0.17 2.86 -1.40 -1.64 114.93 115.98 2k2r h MET 57 Ca 0.58 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.17 2k2r h MET 57 Cb 1.18 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 2k2r h MET 57 CO -0.35 0.41 0.03 0.78 1.06 0.00 0.00 176.91 178.84 2k2r h GLY 58 N 0.61 0.18 1.83 8.32 0.00 -0.22 -1.33 103.07 112.45 2k2r h GLY 58 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2k2r h GLY 58 CO -0.03 0.10 0.08 1.41 0.00 0.00 0.00 176.54 178.09 2k2r h LEU 59 N -0.01 0.00 0.18 3.11 3.38 -1.03 0.21 115.31 121.15 2k2r h LEU 59 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2k2r h LEU 59 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2k2r h LEU 59 CO -0.00 0.00 -0.09 0.25 0.09 0.00 0.00 178.44 178.69 2k2r h LEU 60 N 0.00 -0.20 -1.82 1.67 6.46 -0.27 -3.18 115.31 117.97 2k2r h LEU 60 Ca 0.00 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.44 2k2r h LEU 60 Cb 0.16 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2k2r h LEU 60 CO 0.00 0.35 -0.14 -0.33 -0.62 0.00 0.00 178.44 177.70 2k2r h GLU 61 N -0.93 0.00 0.00 1.25 5.08 -0.88 -3.46 114.58 115.64 2k2r h GLU 61 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k2r h GLU 61 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k2r h GLU 61 CO 0.04 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 2k2r n GLY 62 N -0.91 0.64 3.56 -3.84 0.00 0.62 -5.12 105.19 100.14 2k2r n GLY 62 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2k2r n GLY 62 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2r s TYR 63 N -1.20 -0.71 0.37 1.61 1.13 -0.90 -5.00 117.35 112.65 2k2r s TYR 63 Ca 0.00 1.53 -0.25 0.00 -1.41 0.00 0.00 57.07 56.94 2k2r s TYR 63 Cb 0.00 0.32 -0.09 0.00 -1.10 0.00 0.00 41.96 41.09 2k2r s TYR 63 CO 0.00 -0.47 1.04 0.12 -2.51 0.00 0.00 175.55 173.74 2k2r s PHE 64 N -0.30 3.36 -0.15 -3.49 5.36 -1.26 -3.69 117.98 117.80 2k2r s PHE 64 Ca -0.05 1.67 -0.23 0.00 -0.96 0.00 0.00 56.93 57.36 2k2r s PHE 64 Cb -0.03 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 2k2r s PHE 64 CO 0.05 -0.52 0.72 0.08 -1.46 0.00 0.00 175.22 174.08 2k2r s VAL 65 N -1.58 4.98 1.18 3.12 1.01 -1.26 -5.04 120.40 122.80 2k2r s VAL 65 Ca 0.55 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.76 2k2r s VAL 65 Cb -0.23 -4.03 0.25 0.00 0.00 0.00 0.00 36.38 32.37 2k2r s VAL 65 CO 0.29 0.12 0.55 -2.65 0.00 0.00 0.00 175.10 173.42 2k2r n PRO 66 N 4.77 -3.23 0.08 2.72 -0.02 -1.26 -4.92 135.00 133.14 2k2r n PRO 66 Ca 0.01 -0.96 0.04 0.00 -2.02 0.00 0.00 63.50 60.57 2k2r n PRO 66 Cb 0.50 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2r h LEU 67 N -3.05 0.00 -3.02 2.45 4.07 -1.99 -3.35 115.31 110.42 2k2r h LEU 67 Ca -0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2k2r h LEU 67 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 2k2r h LEU 67 CO 0.19 0.36 0.00 0.00 -1.08 0.00 0.00 178.44 177.92 2k2r n HIS 68 N -2.89 0.35 -0.23 1.13 1.44 -1.26 -4.62 115.22 109.14 2k2r n HIS 68 Ca -0.04 -0.67 -0.07 0.00 -2.01 0.00 0.00 57.72 54.93 2k2r n HIS 68 Cb 0.72 -0.12 0.04 0.00 0.12 0.00 0.00 29.99 30.75 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k2r h SER 69 N 1.02 0.84 0.00 4.39 0.87 -1.93 -3.44 113.55 115.30 2k2r h SER 69 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2k2r h SER 69 Cb 0.87 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2k2r h SER 69 CO 0.05 0.72 0.00 2.22 -0.53 0.00 0.00 176.83 179.29 2k2r n PHE 70 N -4.50 0.00 -4.19 2.24 1.16 -1.26 -5.08 117.46 105.83 2k2r n PHE 70 Ca 0.05 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.32 2k2r n PHE 70 Cb 0.12 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.90 2k2r n PHE 70 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 2k2r s PHE 71 N 3.06 2.93 0.00 2.97 0.40 -1.26 -5.07 117.98 121.01 2k2r s PHE 71 Ca 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2k2r s PHE 71 Cb 0.00 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2k2r s PHE 71 CO 0.00 0.46 0.62 1.28 0.70 0.00 0.00 175.22 178.28 2k2r n LEU 72 N 0.73 0.00 -3.64 -0.37 4.77 -1.26 -4.89 117.00 112.34 2k2r n LEU 72 Ca -0.12 0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 56.39 2k2r n LEU 72 Cb 0.52 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2k2r n LEU 72 CO 0.37 -0.12 0.36 0.28 -1.33 0.00 0.00 177.39 176.95 2k2r s THR 73 N -1.47 -0.00 0.34 -5.08 -1.32 -1.26 -5.07 115.64 101.78 2k2r s THR 73 Ca 0.00 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 2k2r s THR 73 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 2k2r s THR 73 CO 0.00 0.00 1.20 -2.65 -2.21 0.00 0.00 174.62 170.96 2k2r n PRO 74 N 3.98 1.88 -0.08 7.08 -0.02 -1.26 -4.91 135.00 141.66 2k2r n PRO 74 Ca -0.19 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2k2r n PRO 74 Cb 0.58 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k2r n ASP 75 N 0.79 2.61 -1.68 2.55 -0.08 -1.26 -4.98 116.55 114.50 2k2r n ASP 75 Ca 0.06 -0.08 -0.03 0.00 -1.51 0.00 0.00 54.79 53.23 2k2r n ASP 75 Cb 0.36 -0.16 -0.01 0.00 2.34 0.00 0.00 41.12 43.65 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k2r n SER 76 N -2.94 0.87 0.38 1.67 3.41 -1.26 -5.04 113.62 110.71 2k2r n SER 76 Ca -0.29 -1.23 -0.17 0.00 -0.26 0.00 0.00 58.87 56.93 2k2r n SER 76 Cb 0.83 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.81 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 1.07 -0.89 -0.97 7.33 3.57 -1.99 -2.55 116.94 122.50 2k2r h PHE 77 Ca -0.03 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.71 2k2r h PHE 77 Cb 0.13 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 39.03 2k2r h PHE 77 CO 0.00 -0.53 0.52 1.49 -2.23 0.00 0.00 178.31 177.56 2k2r h GLU 78 N -1.14 0.41 0.00 1.11 4.81 -1.98 1.05 114.58 118.85 2k2r h GLU 78 Ca -0.10 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2k2r h GLU 78 Cb 0.76 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2k2r h GLU 78 CO 0.16 0.27 -0.27 1.96 -0.73 0.00 0.00 179.01 180.40 2k2r h GLN 79 N 0.43 0.00 0.01 1.92 4.20 -1.93 -1.15 115.11 118.58 2k2r h GLN 79 Ca 0.65 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.36 2k2r h GLN 79 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2k2r h GLN 79 CO -0.55 0.27 -0.00 0.87 -0.67 0.00 0.00 178.83 178.75 2k2r h LYS 80 N 0.00 -0.01 -0.47 1.46 1.57 0.14 -2.41 116.57 116.86 2k2r h LYS 80 Ca -0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2k2r h LYS 80 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2k2r h LYS 80 CO 0.04 0.84 0.48 0.28 -0.57 0.00 0.00 179.45 180.51 2k2r h VAL 81 N -0.89 0.38 0.18 0.50 2.07 -0.64 0.15 116.25 118.01 2k2r h VAL 81 Ca -0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 2k2r h VAL 81 Cb 0.85 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2k2r h VAL 81 CO 0.00 0.00 -1.55 0.25 0.02 0.00 0.00 177.57 176.29 2k2r h LEU 82 N 0.00 0.60 -1.71 2.57 5.85 -1.15 -1.16 115.31 120.30 2k2r h LEU 82 Ca 0.22 -0.75 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 2k2r h LEU 82 Cb 1.18 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2k2r h LEU 82 CO -0.00 1.61 -0.16 -1.13 -0.34 0.00 0.00 178.44 178.42 2k2r h ASN 83 N 0.10 0.00 0.18 1.25 -0.73 -0.22 -0.91 115.58 115.25 2k2r h ASN 83 Ca -0.26 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.56 2k2r h ASN 83 Cb 2.08 0.00 0.01 0.00 0.27 0.00 0.00 38.32 40.68 2k2r h ASN 83 CO 0.21 0.16 -1.75 0.58 -0.37 0.00 0.00 177.43 176.26 2k2r h VAL 84 N 0.00 0.92 0.00 2.57 2.07 -1.29 -2.84 116.25 117.68 2k2r h VAL 84 Ca -0.00 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 2k2r h VAL 84 Cb 0.30 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2k2r h VAL 84 CO 0.02 0.85 -0.07 -1.28 0.02 0.00 0.00 177.57 177.12 2k2r h SER 85 N 0.07 0.00 0.16 0.57 0.87 -0.95 0.08 113.55 114.35 2k2r h SER 85 Ca -0.35 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 2k2r h SER 85 Cb 2.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 2k2r h SER 85 CO 0.16 0.07 -0.08 0.15 -0.53 0.00 0.00 176.83 176.60 2k2r h PHE 86 N 0.00 -0.20 -0.59 2.24 3.57 -1.22 -0.51 116.94 120.23 2k2r h PHE 86 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2k2r h PHE 86 Cb 0.15 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2k2r h PHE 86 CO 0.00 0.13 0.40 0.00 -2.23 0.00 0.00 178.31 176.61 2k2r h ALA 87 N -0.64 2.11 0.00 2.41 0.00 -1.28 1.35 119.26 123.21 2k2r h ALA 87 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k2r h ALA 87 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k2r h ALA 87 CO 0.04 -0.25 0.00 0.35 0.00 0.00 0.00 179.25 179.38 2k2r h PHE 88 N 0.33 0.00 0.07 0.00 3.04 -0.94 -1.47 116.94 117.97 2k2r h PHE 88 Ca 0.28 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 2k2r h PHE 88 Cb 0.65 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.17 2k2r h PHE 88 CO -0.00 0.00 -0.53 0.93 -2.02 0.00 0.00 178.31 176.69 2k2r h GLU 89 N 0.00 0.16 0.00 1.11 4.39 0.35 0.49 114.58 121.08 2k2r h GLU 89 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2k2r h GLU 89 Cb 0.65 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2k2r h GLU 89 CO 0.00 1.13 0.00 -0.07 -1.16 0.00 0.00 179.01 178.91 2k2r h LEU 90 N -0.66 0.00 0.08 1.33 3.38 -1.26 -2.62 115.31 115.56 2k2r h LEU 90 Ca -0.10 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.59 2k2r h LEU 90 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2k2r h LEU 90 CO 0.06 0.00 -1.47 -0.03 0.09 0.00 0.00 178.44 177.10 2k2r h MET 91 N 0.00 0.18 -0.78 1.13 4.05 -1.28 -0.07 114.93 118.16 2k2r h MET 91 Ca 0.00 -0.31 0.22 0.00 -0.28 0.00 0.00 59.70 59.34 2k2r h MET 91 Cb 0.53 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 2k2r h MET 91 CO 0.00 1.15 0.56 0.37 0.23 0.00 0.00 176.91 179.22 2k2r h GLN 92 N -0.42 0.02 0.00 0.39 4.15 -0.75 1.12 115.11 119.62 2k2r h GLN 92 Ca -0.33 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.03 2k2r h GLN 92 Cb 1.69 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.36 2k2r h GLN 92 CO -0.01 0.01 -0.31 0.22 -1.93 0.00 0.00 178.83 176.81 2k2r h ASP 93 N 0.02 0.02 0.00 -0.69 1.82 -1.51 -3.13 116.42 112.94 2k2r h ASP 93 Ca 0.37 -0.89 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2k2r h ASP 93 Cb 1.47 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.47 2k2r h ASP 93 CO -0.01 1.13 0.00 0.61 -1.61 0.00 0.00 179.24 179.35 2k2r n GLY 94 N 1.57 -0.19 0.00 -0.78 0.00 0.71 -4.89 105.19 101.61 2k2r n GLY 94 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -1.15 0.51 5.01 -0.02 0.00 0.35 -5.01 105.19 104.88 2k2r n GLY 95 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2k2r n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k2r n LEU 96 N 0.00 0.00 -0.87 0.99 7.94 -1.26 -3.98 117.00 119.82 2k2r n LEU 96 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 2k2r n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2k2r n LEU 96 CO 0.00 0.00 -0.18 -0.62 -1.11 0.00 0.00 177.39 175.48 2k2r n GLU 97 N 0.00 -1.65 -3.72 1.96 1.02 -1.26 -4.83 120.64 112.16 2k2r n GLU 97 Ca 0.00 1.14 -0.25 0.00 -0.02 0.00 0.00 57.16 58.02 2k2r n GLU 97 Cb 0.00 -2.07 0.01 0.00 -0.02 0.00 0.00 31.44 29.36 2k2r n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k2r n LYS 98 N -2.79 -1.26 -1.30 3.49 5.02 -1.26 -4.92 118.16 115.13 2k2r n LYS 98 Ca -0.00 0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 56.71 2k2r n LYS 98 Cb 0.60 -3.01 0.12 0.00 -0.02 0.00 0.00 35.03 32.72 2k2r n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k2r s PRO 99 N -5.19 1.60 0.10 1.97 0.04 -1.26 -5.01 135.00 127.26 2k2r s PRO 99 Ca 0.13 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2k2r s PRO 99 Cb -0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2k2r s PRO 99 CO 0.88 -2.00 0.00 1.63 0.04 0.00 0.00 177.00 177.55 2k2r n LYS 100 N -3.72 0.00 0.00 4.56 5.02 -1.26 -5.12 118.16 117.64 2k2r n LYS 100 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k2r n LYS 100 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k2r n PRO 101 N -2.80 2.37 -3.94 1.97 -0.04 -1.26 -5.12 135.00 126.17 2k2r n PRO 101 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2k2r n PRO 101 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N 1.38 0.26 0.58 0.54 0.52 -1.26 -4.99 118.95 115.99 2k2r s ARG 102 Ca 0.00 -0.43 0.40 0.00 -0.52 0.00 0.00 55.73 55.18 2k2r s ARG 102 Cb 0.00 0.10 1.39 0.00 0.52 0.00 0.00 34.95 36.96 2k2r s ARG 102 CO 0.00 -0.05 1.47 -1.35 0.02 0.00 0.00 175.30 175.39 2k2r h PRO 103 N 4.95 0.00 0.24 3.54 0.11 -1.92 1.04 132.00 139.95 2k2r h PRO 103 Ca -0.30 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 2k2r h PRO 103 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2r h PRO 103 CO 0.43 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.03 2k2r h GLU 104 N 0.00 -0.31 -1.15 1.05 5.08 -1.95 -2.50 114.58 114.80 2k2r h GLU 104 Ca 0.74 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 59.45 2k2r h GLU 104 Cb 3.38 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 32.65 2k2r h GLU 104 CO -0.01 -0.07 1.13 -0.44 -1.00 0.00 0.00 179.01 178.62 2k2r h ASP 105 N -1.03 0.00 0.00 1.42 5.19 0.72 0.77 116.42 123.48 2k2r h ASP 105 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2k2r h ASP 105 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2k2r h ASP 105 CO 0.05 0.00 -0.03 0.40 -3.12 0.00 0.00 179.24 176.55 2k2r h ILE 106 N 0.00 0.00 -1.26 0.35 1.08 -1.35 -3.31 117.51 113.03 2k2r h ILE 106 Ca 0.55 -0.17 0.36 0.00 -0.39 0.00 0.00 64.86 65.21 2k2r h ILE 106 Cb 2.80 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.50 2k2r h ILE 106 CO -0.01 0.00 1.06 0.58 -0.69 0.00 0.00 178.15 179.09 2k2r h VAL 107 N -0.17 0.17 0.00 1.67 2.07 -0.69 0.34 116.25 119.65 2k2r h VAL 107 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k2r h VAL 107 Cb 0.03 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2k2r h VAL 107 CO 0.00 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.39 2k2r n ASN 108 N -3.78 0.00 0.00 0.57 2.85 0.25 -4.53 115.26 110.62 2k2r n ASN 108 Ca 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 2k2r n ASN 108 Cb 1.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.48 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r s ASP 110 N -1.59 3.64 -0.21 0.00 1.47 -1.26 -4.75 116.67 113.99 2k2r s ASP 110 Ca 0.00 1.74 -0.16 0.00 1.18 0.00 0.00 52.55 55.32 2k2r s ASP 110 Cb 0.00 -2.39 -0.10 0.00 -0.34 0.00 0.00 42.92 40.10 2k2r s ASP 110 CO 0.00 -2.57 -0.20 0.18 0.68 0.00 0.00 175.17 173.26 2k2r n LEU 111 N -3.86 1.90 0.00 2.11 7.99 -1.26 -4.31 117.00 119.57 2k2r n LEU 111 Ca 0.08 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 2k2r n LEU 111 Cb 0.54 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 2k2r n LEU 111 CO 0.54 0.03 0.15 1.17 -1.51 0.00 0.00 177.39 177.77 2k2r n LYS 112 N -4.43 0.00 0.42 3.23 4.81 -1.26 -0.21 118.16 120.72 2k2r n LYS 112 Ca -0.28 0.30 -0.19 0.00 -0.87 0.00 0.00 58.31 57.27 2k2r n LYS 112 Cb 0.60 -0.54 -0.09 0.00 0.02 0.00 0.00 35.03 35.02 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k2r h SER 113 N 0.00 -1.07 -1.00 3.14 4.64 -1.85 -2.66 113.55 114.75 2k2r h SER 113 Ca 0.00 0.05 0.38 0.00 -0.47 0.00 0.00 61.79 61.76 2k2r h SER 113 Cb 0.00 0.30 -0.18 0.00 -0.31 0.00 0.00 62.40 62.21 2k2r h SER 113 CO 0.00 -0.69 0.43 0.00 -0.87 0.00 0.00 176.83 175.70 2k2r h THR 114 N -1.12 0.02 -0.39 2.95 1.03 -1.63 0.97 112.91 114.73 2k2r h THR 114 Ca -0.10 -0.01 -0.05 0.00 -0.01 0.00 0.00 66.41 66.25 2k2r h THR 114 Cb 0.89 -0.00 -0.02 0.00 -1.07 0.00 0.00 68.15 67.95 2k2r h THR 114 CO 0.13 0.00 0.06 -0.07 -0.01 0.00 0.00 175.52 175.64 2k2r h LEU 115 N 0.01 0.62 -0.21 0.00 3.38 -0.25 -1.36 115.31 117.50 2k2r h LEU 115 Ca 0.79 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.55 2k2r h LEU 115 Cb 2.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 2k2r h LEU 115 CO -0.80 0.72 -0.07 0.03 0.09 0.00 0.00 178.44 178.42 2k2r h ARG 116 N 0.49 -0.03 -0.16 1.13 2.47 0.12 0.08 114.38 118.48 2k2r h ARG 116 Ca 0.12 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 2k2r h ARG 116 Cb 0.37 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2k2r h ARG 116 CO 0.01 -0.02 -0.06 0.28 0.56 0.00 0.00 179.97 180.74 2k2r h VAL 117 N -0.03 1.30 -0.87 2.04 2.07 -1.40 -2.34 116.25 117.02 2k2r h VAL 117 Ca 0.11 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2k2r h VAL 117 Cb 0.19 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2k2r h VAL 117 CO -0.24 0.32 0.51 -0.07 0.02 0.00 0.00 177.57 178.11 2k2r h LEU 118 N 0.02 1.06 -0.05 2.57 -0.00 -1.10 -1.84 115.31 115.98 2k2r h LEU 118 Ca 0.04 -0.08 0.03 0.00 -0.00 0.00 0.00 57.88 57.87 2k2r h LEU 118 Cb 0.52 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.87 2k2r h LEU 118 CO 0.02 0.83 -0.16 0.22 -0.00 0.00 0.00 178.44 179.35 2k2r h TYR 119 N 1.21 -0.42 -1.00 1.13 3.20 -0.91 0.94 116.97 121.12 2k2r h TYR 119 Ca 0.31 0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.52 2k2r h TYR 119 Cb -0.02 0.20 -0.15 0.00 1.54 0.00 0.00 36.73 38.30 2k2r h TYR 119 CO 0.00 -0.24 0.57 -0.97 -1.64 0.00 0.00 178.16 175.88 2k2r h ASN 120 N -0.24 0.52 0.23 -2.11 -0.73 -0.78 -0.70 115.58 111.75 2k2r h ASN 120 Ca 0.07 0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.42 2k2r h ASN 120 Cb 0.34 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.07 2k2r h ASN 120 CO -0.19 -0.13 -0.11 -0.07 -0.37 0.00 0.00 177.43 176.56 2k2r h LEU 121 N 0.33 -0.26 -1.49 0.34 4.07 -0.35 -2.91 115.31 115.04 2k2r h LEU 121 Ca 0.73 0.01 0.42 0.00 0.08 0.00 0.00 57.88 59.12 2k2r h LEU 121 Cb 1.65 0.07 -0.06 0.00 1.08 0.00 0.00 40.66 43.40 2k2r h LEU 121 CO -0.60 -0.04 1.30 0.15 -1.08 0.00 0.00 178.44 178.17 2k2r h PHE 122 N -0.61 0.00 0.17 1.13 3.57 -0.42 0.89 116.94 121.67 2k2r h PHE 122 Ca -0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2k2r h PHE 122 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2k2r h PHE 122 CO 0.05 0.00 -0.08 1.15 -2.23 0.00 0.00 178.31 177.20 2k2r h THR 123 N 0.00 0.92 0.00 4.41 2.02 -1.08 -1.05 112.91 118.13 2k2r h THR 123 Ca 0.69 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2k2r h THR 123 Cb 3.29 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 71.18 2k2r h THR 123 CO -0.01 0.22 -0.01 0.11 0.37 0.00 0.00 175.52 176.19 2k2r h LYS 124 N -0.78 0.00 0.00 6.66 1.57 0.90 -3.32 116.57 121.60 2k2r h LYS 124 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2k2r h LYS 124 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2k2r h LYS 124 CO 0.04 0.00 -1.02 0.66 -0.57 0.00 0.00 179.45 178.55 2k2r n TYR 125 N -2.68 0.00 -0.48 -1.35 4.02 0.01 -4.50 117.16 112.19 2k2r n TYR 125 Ca 0.05 0.00 0.43 0.00 -0.01 0.00 0.00 57.90 58.36 2k2r n TYR 125 Cb 0.48 -0.12 0.74 0.00 -0.02 0.00 0.00 39.34 40.42 2k2r n TYR 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2k2r h ARG 126 N 0.00 0.00 0.00 -0.72 2.43 -1.28 2.48 114.38 117.29 2k2r h ARG 126 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2k2r h ARG 126 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k2r h ARG 126 CO 0.00 0.00 -1.14 -0.91 -1.51 0.00 0.00 179.97 176.41 2k2r h ASN 127 N 0.00 0.00 -3.46 -3.80 -0.26 -1.83 -3.45 115.58 102.78 2k2r h ASN 127 Ca 0.72 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.93 2k2r h ASN 127 Cb 3.06 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 40.30 2k2r h ASN 127 CO -0.01 0.24 0.36 -0.69 -1.06 0.00 0.00 177.43 176.27 2k2r s VAL 128 N -3.18 4.75 -2.00 2.81 1.01 0.83 -5.23 120.40 119.39 2k2r s VAL 128 Ca -0.01 2.05 0.12 0.00 0.00 0.00 0.00 61.98 64.14 2k2r s VAL 128 Cb 0.09 -4.32 0.34 0.00 0.00 0.00 0.00 36.38 32.49 2k2r s VAL 128 CO 0.80 0.22 1.15 -0.62 0.00 0.00 0.00 175.10 176.64