#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r n HIS 2 N 0.00 0.98 -1.56 -1.55 8.25 -1.26 -4.78 115.22 115.31 2k2r n HIS 2 Ca 0.00 0.24 -0.40 0.00 -0.26 0.00 0.00 57.72 57.30 2k2r n HIS 2 Cb 0.00 -2.47 -0.04 0.00 1.12 0.00 0.00 29.99 28.60 2k2r n HIS 2 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2k2r n GLU 3 N 8.70 1.37 -2.71 -0.41 4.07 -1.26 -4.91 120.64 125.49 2k2r n GLU 3 Ca 0.52 0.23 -0.41 0.00 -0.06 0.00 0.00 57.16 57.43 2k2r n GLU 3 Cb 0.29 -3.21 -0.04 0.00 -0.06 0.00 0.00 31.44 28.43 2k2r n GLU 3 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k2r s ARG 4 N 7.38 4.64 0.00 5.31 3.00 -1.26 -4.98 118.95 133.04 2k2r s ARG 4 Ca 1.02 1.45 0.00 0.00 -1.00 0.00 0.00 55.73 57.20 2k2r s ARG 4 Cb -0.34 -3.40 0.00 0.00 0.00 0.00 0.00 34.95 31.21 2k2r s ARG 4 CO 0.33 0.10 0.00 -3.47 0.00 0.00 0.00 175.30 172.26 2k2r n ASP 5 N 3.22 0.00 -0.06 -2.12 -0.08 -1.26 -5.02 116.55 111.23 2k2r n ASP 5 Ca 0.04 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.25 2k2r n ASP 5 Cb 0.50 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.90 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 1.00 0.02 -1.06 -1.67 0.00 -2.02 -3.34 119.26 112.20 2k2r h ALA 6 Ca 0.00 -0.33 0.30 0.00 0.00 0.00 0.00 54.91 54.89 2k2r h ALA 6 Cb 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.79 2k2r h ALA 6 CO 0.00 0.13 0.64 0.74 0.00 0.00 0.00 179.25 180.76 2k2r h PHE 7 N -1.00 0.82 0.00 0.00 -1.00 -1.98 -2.29 116.94 111.50 2k2r h PHE 7 Ca -0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2k2r h PHE 7 Cb 0.49 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.82 2k2r h PHE 7 CO 0.07 -0.06 0.00 -3.47 -1.61 0.00 0.00 178.31 173.24 2k2r n ASP 8 N -4.84 0.00 -0.32 2.17 2.03 -1.25 0.22 116.55 114.56 2k2r n ASP 8 Ca 0.30 0.86 0.23 0.00 0.52 0.00 0.00 54.79 56.70 2k2r n ASP 8 Cb 0.96 -0.36 0.51 0.00 -0.72 0.00 0.00 41.12 41.51 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2k2r h THR 9 N 0.00 0.54 0.22 5.18 2.02 -1.59 1.59 112.91 120.87 2k2r h THR 9 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2k2r h THR 9 Cb 0.00 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2k2r h THR 9 CO 0.00 0.07 -0.11 -0.07 0.37 0.00 0.00 175.52 175.79 2k2r h LEU 10 N 0.39 -0.25 -0.43 2.58 4.07 -0.82 -2.15 115.31 118.70 2k2r h LEU 10 Ca 0.58 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.55 2k2r h LEU 10 Cb 1.49 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.29 2k2r h LEU 10 CO -0.28 0.14 0.00 0.49 -1.08 0.00 0.00 178.44 177.71 2k2r n PHE 11 N -4.56 0.43 -0.07 1.13 3.01 0.61 0.32 117.46 118.33 2k2r n PHE 11 Ca -0.04 0.18 -0.10 0.00 1.01 0.00 0.00 57.45 58.50 2k2r n PHE 11 Cb 0.12 -0.79 -0.07 0.00 -0.01 0.00 0.00 39.48 38.73 2k2r n PHE 11 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2k2r h ASP 12 N 0.00 0.00 -0.70 4.37 3.58 0.23 -3.42 116.42 120.48 2k2r h ASP 12 Ca 0.00 -0.47 -0.46 0.00 0.42 0.00 0.00 57.03 56.52 2k2r h ASP 12 Cb 0.27 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 40.90 2k2r h ASP 12 CO 0.00 0.90 -0.91 1.57 -2.88 0.00 0.00 179.24 177.92 2k2r n HIS 13 N -4.63 2.31 -2.69 0.28 -0.00 -0.81 -4.88 115.22 104.79 2k2r n HIS 13 Ca -0.11 -2.26 -0.06 0.00 0.46 0.00 0.00 57.72 55.76 2k2r n HIS 13 Cb 0.34 -0.30 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 -2.50 0.33 1.57 0.00 0.15 -4.92 120.51 114.49 2k2r n ALA 14 Ca 0.32 -0.77 0.14 0.00 0.00 0.00 0.00 53.44 53.13 2k2r n ALA 14 Cb 0.90 -2.43 0.47 0.00 0.00 0.00 0.00 19.45 18.40 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 3.07 0.00 0.11 0.00 0.14 -1.86 -3.13 132.00 130.33 2k2r h PRO 15 Ca -0.22 0.00 -0.30 0.00 0.14 0.00 0.00 66.00 65.62 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 0.03 0.00 -1.58 -0.44 0.14 0.00 0.00 178.00 176.15 2k2r h ASP 16 N 0.00 0.36 -0.39 1.44 5.19 -1.93 -3.36 116.42 117.73 2k2r h ASP 16 Ca 0.00 -0.84 0.01 0.00 -0.62 0.00 0.00 57.03 55.57 2k2r h ASP 16 Cb 0.65 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2k2r h ASP 16 CO 0.00 1.68 0.25 0.11 -3.12 0.00 0.00 179.24 178.17 2k2r h LYS 17 N -0.26 0.50 -1.13 3.56 1.57 -1.94 -1.27 116.57 117.60 2k2r h LYS 17 Ca -0.35 -0.03 0.33 0.00 -1.87 0.00 0.00 60.65 58.73 2k2r h LYS 17 Cb 1.80 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.89 2k2r h LYS 17 CO 0.04 0.33 0.72 -0.07 -0.57 0.00 0.00 179.45 179.91 2k2r h LEU 18 N 0.52 0.38 0.46 2.94 3.38 -1.71 0.93 115.31 122.22 2k2r h LEU 18 Ca 0.14 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2k2r h LEU 18 Cb -0.05 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2k2r h LEU 18 CO -0.04 -0.03 -0.22 -1.13 0.09 0.00 0.00 178.44 177.11 2k2r h ASN 19 N 0.28 -0.53 -0.08 -0.43 -0.73 -1.39 -2.56 115.58 110.15 2k2r h ASN 19 Ca 0.68 0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.90 2k2r h ASN 19 Cb 1.89 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 40.61 2k2r h ASN 19 CO -0.37 -0.14 0.06 0.58 -0.37 0.00 0.00 177.43 177.20 2k2r h VAL 20 N -1.10 0.81 -0.38 2.57 2.07 -0.87 -1.24 116.25 118.11 2k2r h VAL 20 Ca -0.06 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 2k2r h VAL 20 Cb 0.48 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2k2r h VAL 20 CO 0.10 0.00 -0.25 0.58 0.02 0.00 0.00 177.57 178.03 2k2r h VAL 21 N 0.00 1.27 -0.67 2.57 2.07 0.87 -1.54 116.25 120.82 2k2r h VAL 21 Ca 0.04 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 2k2r h VAL 21 Cb 0.16 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2k2r h VAL 21 CO -0.00 0.45 0.35 0.50 0.02 0.00 0.00 177.57 178.89 2k2r h LYS 22 N 0.67 0.95 0.00 1.57 3.64 -0.80 -1.18 116.57 121.43 2k2r h LYS 22 Ca 0.09 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2k2r h LYS 22 Cb 0.76 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2k2r h LYS 22 CO 0.06 0.74 -0.05 0.87 -2.27 0.00 0.00 179.45 178.80 2k2r h LYS 23 N 0.93 0.00 0.00 1.90 1.57 -1.10 -0.19 116.57 119.67 2k2r h LYS 23 Ca 0.23 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2k2r h LYS 23 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2k2r h LYS 23 CO -0.03 0.05 -0.59 1.15 -0.57 0.00 0.00 179.45 179.46 2k2r h THR 24 N 0.00 1.15 0.00 -0.16 2.02 -0.24 -2.30 112.91 113.38 2k2r h THR 24 Ca -0.00 -2.23 -0.13 0.00 0.77 0.00 0.00 66.41 64.82 2k2r h THR 24 Cb 0.10 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 2k2r h THR 24 CO 0.01 0.57 -0.61 -0.07 0.37 0.00 0.00 175.52 175.79 2k2r h LEU 25 N 0.00 0.00 -1.13 2.58 3.38 -0.59 -2.58 115.31 116.97 2k2r h LEU 25 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k2r h LEU 25 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2k2r h LEU 25 CO 0.08 0.61 -0.19 0.40 0.09 0.00 0.00 178.44 179.42 2k2r h ILE 26 N 0.00 1.23 -0.33 1.22 2.04 -0.59 -2.33 117.51 118.75 2k2r h ILE 26 Ca -0.01 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 2k2r h ILE 26 Cb 1.38 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 2k2r h ILE 26 CO 0.08 0.34 -0.11 0.74 0.00 0.00 0.00 178.15 179.20 2k2r h THR 27 N 0.34 1.28 -0.40 -0.27 2.02 -1.06 -0.28 112.91 114.55 2k2r h THR 27 Ca 0.06 -1.19 0.08 0.00 0.77 0.00 0.00 66.41 66.13 2k2r h THR 27 Cb 0.54 1.37 -0.08 0.00 -1.74 0.00 0.00 68.15 68.24 2k2r h THR 27 CO 0.04 0.39 -0.11 0.15 0.37 0.00 0.00 175.52 176.36 2k2r h PHE 28 N 0.43 -0.23 -0.41 3.16 3.57 -1.09 -0.29 116.94 122.08 2k2r h PHE 28 Ca 0.08 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 2k2r h PHE 28 Cb 0.62 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2k2r h PHE 28 CO 0.05 -0.18 -0.27 0.28 -2.23 0.00 0.00 178.31 175.96 2k2r h VAL 29 N -0.01 1.27 0.00 1.41 2.07 -1.41 -1.27 116.25 118.32 2k2r h VAL 29 Ca 0.19 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2k2r h VAL 29 Cb 0.30 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2k2r h VAL 29 CO -0.41 0.48 0.14 -1.13 0.02 0.00 0.00 177.57 176.66 2k2r h ASN 30 N 0.75 0.00 0.01 0.57 -0.73 0.58 0.32 115.58 117.08 2k2r h ASN 30 Ca 0.09 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 2k2r h ASN 30 Cb 0.83 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.42 2k2r h ASN 30 CO 0.07 0.00 -0.01 0.50 -0.37 0.00 0.00 177.43 177.63 2k2r h LYS 31 N 0.00 -0.02 0.00 6.67 3.11 0.06 2.18 116.57 128.57 2k2r h LYS 31 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2k2r h LYS 31 Cb 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2k2r h LYS 31 CO 0.00 0.15 -0.00 1.12 -2.81 0.00 0.00 179.45 177.91 2k2r h HIS 32 N -1.00 0.00 0.03 1.91 2.07 -1.07 -1.60 115.15 115.49 2k2r h HIS 32 Ca -0.00 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.35 2k2r h HIS 32 Cb 0.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 2k2r h HIS 32 CO 0.04 0.00 -0.90 -0.07 -3.07 0.00 0.00 177.93 173.94 2k2r h LEU 33 N 0.00 0.10 -1.93 6.12 3.38 -0.42 -3.17 115.31 119.38 2k2r h LEU 33 Ca -0.00 -0.75 0.50 0.00 0.09 0.00 0.00 57.88 57.72 2k2r h LEU 33 Cb 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2k2r h LEU 33 CO 0.00 1.37 1.22 0.78 0.09 0.00 0.00 178.44 181.90 2k2r h ASN 34 N -0.82 0.03 0.02 -0.43 -0.26 0.46 3.45 115.58 118.04 2k2r h ASN 34 Ca -0.23 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.53 2k2r h ASN 34 Cb 1.33 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.60 2k2r h ASN 34 CO -0.07 -0.02 -0.01 0.11 -1.06 0.00 0.00 177.43 176.37 2k2r h LYS 35 N 0.01 -0.03 0.00 0.81 1.57 -1.54 -2.35 116.57 115.04 2k2r h LYS 35 Ca 0.83 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.62 2k2r h LYS 35 Cb 3.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 35.58 2k2r h LYS 35 CO -0.06 0.69 0.00 -0.11 -0.57 0.00 0.00 179.45 179.40 2k2r n LEU 36 N -4.73 0.00 -3.43 2.94 7.94 0.45 -4.84 117.00 115.34 2k2r n LEU 36 Ca -0.09 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.66 2k2r n LEU 36 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2k2r n LEU 36 CO 0.30 0.00 -0.00 -0.46 -1.11 0.00 0.00 177.39 176.12 2k2r n ASN 37 N -0.83 -6.24 0.00 1.96 0.23 1.04 -5.01 115.26 106.42 2k2r n ASN 37 Ca 0.07 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.66 2k2r n ASN 37 Cb 0.03 -3.31 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 -1.94 0.00 -3.42 -4.53 7.99 -0.95 -4.94 117.00 109.21 2k2r n LEU 38 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 55.86 2k2r n LEU 38 Cb 0.60 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.87 2k2r n LEU 38 CO 0.58 0.00 0.60 -0.70 -1.51 0.00 0.00 177.39 176.36 2k2r s GLU 39 N 2.02 0.31 0.32 3.23 2.12 -1.26 -4.58 118.70 120.85 2k2r s GLU 39 Ca 0.00 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.10 2k2r s GLU 39 Cb 0.00 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 2k2r s GLU 39 CO 0.00 -0.10 0.52 0.54 -0.54 0.00 0.00 175.26 175.67 2k2r s VAL 40 N 2.44 5.12 0.00 3.70 0.11 -1.26 -5.01 120.40 125.51 2k2r s VAL 40 Ca -0.03 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2k2r s VAL 40 Cb -0.06 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 2k2r s VAL 40 CO -0.17 -0.49 0.00 0.41 -3.33 0.00 0.00 175.10 171.52 2k2r n THR 41 N -1.58 0.00 -3.86 5.04 -1.04 -1.26 -4.96 114.28 106.62 2k2r n THR 41 Ca -0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 2k2r n THR 41 Cb 0.56 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.81 2.54 0.25 -2.82 8.01 -1.26 -4.92 118.70 119.69 2k2r s GLU 42 Ca 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 54.97 51.72 2k2r s GLU 42 Cb 0.00 -3.51 0.43 0.00 -4.31 0.00 0.00 34.13 26.73 2k2r s GLU 42 CO 0.00 -1.26 1.80 1.25 0.01 0.00 0.00 175.26 177.06 2k2r h LEU 43 N 5.69 0.64 0.16 1.80 7.12 -1.94 -1.02 115.31 127.78 2k2r h LEU 43 Ca 0.11 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2k2r h LEU 43 Cb 0.79 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 2k2r h LEU 43 CO 0.74 0.35 -0.32 -0.33 -0.13 0.00 0.00 178.44 178.74 2k2r h GLU 44 N 0.76 -0.51 0.00 1.25 5.08 -1.90 -1.93 114.58 117.33 2k2r h GLU 44 Ca 0.41 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2k2r h GLU 44 Cb 0.42 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k2r h GLU 44 CO -0.27 -0.34 0.00 -2.37 -1.00 0.00 0.00 179.01 175.03 2k2r n THR 45 N -4.31 0.00 0.22 1.13 5.66 -1.10 -2.59 114.28 113.29 2k2r n THR 45 Ca -0.06 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.05 2k2r n THR 45 Cb 0.27 -0.61 0.35 0.00 -1.55 0.00 0.00 70.33 68.79 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2k2r h GLN 46 N 0.00 0.00 0.00 1.09 1.08 -0.35 -1.92 115.11 115.01 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k2r h GLN 46 CO 0.00 0.16 -0.66 1.19 -0.95 0.00 0.00 178.83 178.57 2k2r n PHE 47 N -3.21 0.34 0.38 2.96 3.01 -1.07 -3.31 117.46 116.57 2k2r n PHE 47 Ca 0.02 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2k2r n PHE 47 Cb 0.49 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.73 2.17 -0.02 4.37 0.00 -0.72 -1.84 120.51 122.73 2k2r n ALA 48 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k2r n ALA 48 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.92 0.00 0.00 0.00 5.68 -1.24 -4.93 116.55 116.97 2k2r n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k2r n ASP 49 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k2r n GLY 50 N 0.00 0.00 0.35 6.12 0.00 -0.77 -4.72 105.19 106.17 2k2r n GLY 50 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.31 116.25 115.74 2k2r h VAL 51 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2k2r h VAL 51 Cb 0.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2k2r h VAL 51 CO 0.00 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.77 2k2r n TYR 52 N -5.14 0.52 0.20 1.57 0.18 -1.26 -1.96 117.16 111.28 2k2r n TYR 52 Ca -0.11 0.27 -0.09 0.00 1.88 0.00 0.00 57.90 59.86 2k2r n TYR 52 Cb 0.33 -0.82 -0.04 0.00 -0.38 0.00 0.00 39.34 38.44 2k2r n TYR 52 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2k2r h LEU 53 N 0.00 -0.48 -1.90 -3.48 -0.00 -1.73 -0.54 115.31 107.18 2k2r h LEU 53 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2k2r h LEU 53 Cb 0.35 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2k2r h LEU 53 CO 0.00 -0.07 0.11 0.58 -0.00 0.00 0.00 178.44 179.06 2k2r h VAL 54 N -1.12 1.00 -0.34 1.22 2.07 -1.26 -1.27 116.25 116.55 2k2r h VAL 54 Ca -0.06 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 2k2r h VAL 54 Cb 0.44 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2k2r h VAL 54 CO 0.10 0.02 -0.13 -0.07 0.02 0.00 0.00 177.57 177.51 2k2r h LEU 55 N 0.14 0.70 -0.36 2.57 3.38 -1.46 -2.90 115.31 117.38 2k2r h LEU 55 Ca 0.06 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.72 2k2r h LEU 55 Cb 0.09 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 2k2r h LEU 55 CO -0.01 0.94 -0.33 0.25 0.09 0.00 0.00 178.44 179.38 2k2r h LEU 56 N 0.46 -1.08 -1.12 1.67 5.85 0.13 0.59 115.31 121.81 2k2r h LEU 56 Ca 0.08 0.18 0.23 0.00 0.84 0.00 0.00 57.88 59.22 2k2r h LEU 56 Cb 0.66 0.50 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2k2r h LEU 56 CO 0.04 -0.33 0.62 0.24 -0.34 0.00 0.00 178.44 178.68 2k2r h MET 57 N -0.28 0.56 0.24 1.25 2.86 -1.37 -1.18 114.93 117.01 2k2r h MET 57 Ca 0.16 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2k2r h MET 57 Cb 0.54 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k2r h MET 57 CO -0.51 0.37 -0.11 0.78 1.06 0.00 0.00 176.91 178.50 2k2r h GLY 58 N 0.58 -0.33 2.00 8.32 0.00 0.30 -2.45 103.07 111.49 2k2r h GLY 58 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2k2r h GLY 58 CO -0.39 -0.12 0.00 1.41 0.00 0.00 0.00 176.54 177.44 2k2r h LEU 59 N -0.97 0.00 0.25 3.11 -0.00 -0.82 0.40 115.31 117.29 2k2r h LEU 59 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.51 2k2r h LEU 59 Cb 0.46 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.16 2k2r h LEU 59 CO 0.05 0.00 -1.47 0.25 -0.00 0.00 0.00 178.44 177.27 2k2r h LEU 60 N 0.00 0.83 -0.02 1.67 7.12 -1.18 -3.32 115.31 120.40 2k2r h LEU 60 Ca 0.00 -0.88 -0.02 0.00 0.13 0.00 0.00 57.88 57.11 2k2r h LEU 60 Cb 0.03 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 39.89 2k2r h LEU 60 CO 0.00 1.69 -0.05 -0.08 -0.13 0.00 0.00 178.44 179.88 2k2r h GLU 61 N 0.14 0.07 0.00 1.25 4.81 0.12 -3.48 114.58 117.49 2k2r h GLU 61 Ca -0.25 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2k2r h GLU 61 Cb 2.16 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.55 2k2r h GLU 61 CO 0.27 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 179.60 2k2r n GLY 62 N 0.49 0.87 3.35 1.92 0.00 0.74 -5.11 105.19 107.44 2k2r n GLY 62 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2k2r n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2r s TYR 63 N -1.34 -0.34 -0.16 1.61 2.02 -1.11 -5.02 117.35 113.01 2k2r s TYR 63 Ca 0.00 0.46 -0.24 0.00 -0.37 0.00 0.00 57.07 56.92 2k2r s TYR 63 Cb 0.00 0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 41.77 2k2r s TYR 63 CO 0.00 -0.53 0.78 -0.06 -1.57 0.00 0.00 175.55 174.17 2k2r s PHE 64 N -1.81 3.43 -0.04 2.71 0.08 -1.26 -3.64 117.98 117.45 2k2r s PHE 64 Ca -0.09 1.19 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 2k2r s PHE 64 Cb -0.02 -2.95 -0.06 0.00 -0.57 0.00 0.00 43.02 39.42 2k2r s PHE 64 CO 0.03 -0.19 1.60 0.08 -0.10 0.00 0.00 175.22 176.64 2k2r s VAL 65 N 1.94 3.57 1.01 -0.44 1.01 -1.26 -4.96 120.40 121.27 2k2r s VAL 65 Ca 0.36 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 2k2r s VAL 65 Cb -0.17 -3.50 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2k2r s VAL 65 CO 0.13 -0.05 0.62 -2.65 0.00 0.00 0.00 175.10 173.15 2k2r n PRO 66 N 6.70 -0.94 0.14 2.72 -0.02 -1.26 -4.89 135.00 137.44 2k2r n PRO 66 Ca 0.16 -0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.28 2k2r n PRO 66 Cb 0.43 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 2k2r n PRO 66 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k2r h LEU 67 N -1.94 -0.31 -1.34 2.45 5.85 -1.99 -2.90 115.31 115.13 2k2r h LEU 67 Ca -0.48 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2k2r h LEU 67 Cb 1.30 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2k2r h LEU 67 CO 0.39 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 2k2r n HIS 68 N -5.11 0.28 0.10 1.25 1.44 -1.26 -3.69 115.22 108.23 2k2r n HIS 68 Ca -0.09 -0.10 -0.15 0.00 -2.01 0.00 0.00 57.72 55.37 2k2r n HIS 68 Cb 0.25 -0.16 -0.14 0.00 0.12 0.00 0.00 29.99 30.07 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 0.54 0.37 0.00 4.39 0.87 -1.85 -3.46 113.55 114.40 2k2r h SER 69 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2k2r h SER 69 Cb 0.70 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2k2r h SER 69 CO 0.07 1.32 0.00 2.22 -0.53 0.00 0.00 176.83 179.90 2k2r n PHE 70 N -3.51 0.00 0.00 2.24 -1.74 -1.24 -5.02 117.46 108.19 2k2r n PHE 70 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 2k2r n PHE 70 Cb 1.01 0.00 0.00 0.00 1.52 0.00 0.00 39.48 42.01 2k2r n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k2r n PHE 71 N 0.00 -0.21 -1.98 2.97 7.35 -1.26 -5.08 117.46 119.25 2k2r n PHE 71 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2k2r n PHE 71 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2k2r n LEU 72 N 0.00 0.00 -4.73 -2.13 7.99 -1.26 -4.83 117.00 112.04 2k2r n LEU 72 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.60 2k2r n LEU 72 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 2k2r n LEU 72 CO 0.00 -0.06 0.41 0.42 -1.51 0.00 0.00 177.39 176.66 2k2r s THR 73 N 1.74 4.94 0.13 -5.08 -4.23 -1.26 -4.99 115.64 106.89 2k2r s THR 73 Ca 0.00 1.49 -0.34 0.00 -1.18 0.00 0.00 61.69 61.66 2k2r s THR 73 Cb 0.00 -4.06 -0.16 0.00 1.34 0.00 0.00 72.50 69.62 2k2r s THR 73 CO 0.00 0.30 1.18 -2.65 -0.54 0.00 0.00 174.62 172.91 2k2r n PRO 74 N 3.38 0.99 -0.02 3.99 -0.02 -1.26 -4.89 135.00 137.16 2k2r n PRO 74 Ca -0.02 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.77 2k2r n PRO 74 Cb 0.51 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.11 1.21 -0.84 2.55 -0.08 -1.26 -5.06 116.55 115.18 2k2r n ASP 75 Ca 0.17 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2k2r n ASP 75 Cb 0.21 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.55 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 -3.07 0.72 0.14 1.67 3.41 -1.26 -5.04 113.62 110.18 2k2r n SER 76 Ca -0.09 -0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 57.80 2k2r n SER 76 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.62 -0.39 -0.91 7.33 3.57 -1.99 -2.95 116.94 122.22 2k2r h PHE 77 Ca 0.00 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.75 2k2r h PHE 77 Cb 0.00 0.13 -0.14 0.00 2.79 0.00 0.00 35.95 38.72 2k2r h PHE 77 CO 0.00 -0.08 0.31 1.49 -2.23 0.00 0.00 178.31 177.80 2k2r h GLU 78 N -1.00 0.23 -0.42 1.11 4.81 -1.98 0.78 114.58 118.11 2k2r h GLU 78 Ca -0.04 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2k2r h GLU 78 Cb 0.48 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2k2r h GLU 78 CO 0.07 0.15 -0.04 -0.56 -0.73 0.00 0.00 179.01 177.90 2k2r h GLN 79 N 0.23 0.70 0.21 1.92 -0.00 -1.97 -1.58 115.11 114.62 2k2r h GLN 79 Ca 0.60 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 59.05 2k2r h GLN 79 Cb 1.25 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 2k2r h GLN 79 CO -0.65 0.74 -0.10 0.87 -0.00 0.00 0.00 178.83 179.69 2k2r h LYS 80 N 0.65 -0.27 -0.51 0.06 1.57 0.63 -0.73 116.57 117.98 2k2r h LYS 80 Ca 0.12 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.07 2k2r h LYS 80 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2k2r h LYS 80 CO 0.02 0.04 0.42 0.28 -0.57 0.00 0.00 179.45 179.64 2k2r h VAL 81 N -0.59 0.56 0.19 0.50 2.07 -0.65 -1.27 116.25 117.07 2k2r h VAL 81 Ca -0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.17 2k2r h VAL 81 Cb 0.43 0.69 0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2k2r h VAL 81 CO 0.05 0.00 -1.52 0.25 0.02 0.00 0.00 177.57 176.37 2k2r h LEU 82 N 0.00 0.64 -1.89 2.57 5.85 -0.91 -0.57 115.31 120.99 2k2r h LEU 82 Ca 0.24 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 2k2r h LEU 82 Cb 1.08 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2k2r h LEU 82 CO -0.00 1.70 -0.01 -1.13 -0.34 0.00 0.00 178.44 178.66 2k2r h ASN 83 N 0.00 0.05 0.42 1.25 -0.00 -0.03 -0.55 115.58 116.71 2k2r h ASN 83 Ca -0.29 -0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.70 2k2r h ASN 83 Cb 2.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 40.30 2k2r h ASN 83 CO 0.19 0.07 -1.67 0.58 -0.00 0.00 0.00 177.43 176.60 2k2r h VAL 84 N 0.06 0.96 0.00 2.57 2.07 -1.37 -2.93 116.25 117.60 2k2r h VAL 84 Ca 0.01 -2.69 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 2k2r h VAL 84 Cb 0.06 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2k2r h VAL 84 CO 0.00 0.74 -0.08 -1.28 0.02 0.00 0.00 177.57 176.97 2k2r h SER 85 N 0.04 0.00 0.11 0.57 0.87 -0.45 0.82 113.55 115.51 2k2r h SER 85 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2k2r h SER 85 Cb 2.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 2k2r h SER 85 CO 0.12 0.08 -0.06 0.15 -0.53 0.00 0.00 176.83 176.59 2k2r h PHE 86 N 0.00 -0.14 -0.23 2.24 3.57 -1.16 -0.32 116.94 120.90 2k2r h PHE 86 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2k2r h PHE 86 Cb 0.17 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2k2r h PHE 86 CO 0.00 0.19 0.18 0.00 -2.23 0.00 0.00 178.31 176.45 2k2r h ALA 87 N -0.65 2.17 0.00 2.41 0.00 -1.31 1.15 119.26 123.02 2k2r h ALA 87 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k2r h ALA 87 Cb 0.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k2r h ALA 87 CO 0.03 -0.30 -0.08 0.35 0.00 0.00 0.00 179.25 179.25 2k2r h PHE 88 N 0.00 0.00 0.12 0.00 3.04 -0.82 -1.47 116.94 117.81 2k2r h PHE 88 Ca 0.11 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.89 2k2r h PHE 88 Cb 0.46 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.99 2k2r h PHE 88 CO 0.00 0.08 -0.74 0.93 -2.02 0.00 0.00 178.31 176.56 2k2r h GLU 89 N 0.00 0.30 0.00 1.11 4.39 0.31 -0.41 114.58 120.28 2k2r h GLU 89 Ca -0.00 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2k2r h GLU 89 Cb 0.86 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2k2r h GLU 89 CO 0.01 1.21 0.00 -0.07 -1.16 0.00 0.00 179.01 179.00 2k2r h LEU 90 N -0.37 0.00 0.01 1.33 3.38 -1.15 -2.35 115.31 116.15 2k2r h LEU 90 Ca -0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2k2r h LEU 90 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2k2r h LEU 90 CO 0.14 0.00 -0.54 0.24 0.09 0.00 0.00 178.44 178.37 2k2r h MET 91 N 0.00 0.02 -0.66 1.13 2.86 -1.19 0.80 114.93 117.88 2k2r h MET 91 Ca 0.00 -0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.81 2k2r h MET 91 Cb 0.46 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2k2r h MET 91 CO 0.00 1.01 0.52 0.37 1.06 0.00 0.00 176.91 179.87 2k2r h GLN 92 N -0.96 0.00 0.00 1.72 -0.00 -0.92 0.72 115.11 115.67 2k2r h GLN 92 Ca -0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.39 2k2r h GLN 92 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 2k2r h GLN 92 CO -0.07 0.00 -0.91 -3.47 0.00 0.00 0.00 178.83 174.38 2k2r n ASP 93 N -4.15 1.84 0.00 -0.69 2.03 -0.90 -3.80 116.55 110.88 2k2r n ASP 93 Ca 0.13 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2k2r n ASP 93 Cb 0.77 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 2k2r n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2r n GLY 94 N 1.52 -0.07 0.00 0.27 0.00 0.28 -4.86 105.19 102.33 2k2r n GLY 94 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.02 0.53 4.80 -0.02 0.00 0.25 -4.98 105.19 104.74 2k2r n GLY 95 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.99 -0.00 -1.22 -3.83 117.00 112.94 2k2r n LEU 96 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 2k2r n LEU 96 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2k2r n LEU 96 CO 0.00 0.00 -0.15 -0.62 -0.00 0.00 0.00 177.39 176.62 2k2r n GLU 97 N 0.00 -1.63 -0.11 1.96 1.02 -1.26 -4.60 120.64 116.02 2k2r n GLU 97 Ca 0.00 1.07 -0.02 0.00 -0.02 0.00 0.00 57.16 58.20 2k2r n GLU 97 Cb 0.00 -1.99 -0.02 0.00 -0.02 0.00 0.00 31.44 29.41 2k2r n GLU 97 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2k2r n LYS 98 N -3.11 0.00 -1.13 3.49 2.85 -1.26 -4.84 118.16 114.16 2k2r n LYS 98 Ca 0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.97 2k2r n LYS 98 Cb 0.37 -0.08 0.14 0.00 -0.65 0.00 0.00 35.03 34.82 2k2r n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k2r s PRO 99 N 0.52 1.16 0.07 -1.58 0.05 -1.26 -5.03 135.00 128.93 2k2r s PRO 99 Ca 0.10 0.90 0.00 0.00 0.05 0.00 0.00 61.00 62.05 2k2r s PRO 99 Cb -0.06 -1.79 0.00 0.00 0.05 0.00 0.00 34.50 32.70 2k2r s PRO 99 CO 0.04 -2.33 0.00 1.63 0.05 0.00 0.00 177.00 176.39 2k2r n LYS 100 N -3.96 0.00 0.00 4.56 5.02 -1.26 -5.10 118.16 117.43 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 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 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 -3.14 1.94 -3.96 1.97 -0.04 -1.26 -5.11 135.00 125.40 2k2r n PRO 101 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2k2r n PRO 101 Cb 0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.55 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 0.37 0.34 0.58 0.54 0.52 -1.26 -4.99 118.95 115.04 2k2r s ARG 102 Ca 0.00 -0.57 0.42 0.00 -0.52 0.00 0.00 55.73 55.05 2k2r s ARG 102 Cb 0.00 0.13 1.46 0.00 0.52 0.00 0.00 34.95 37.06 2k2r s ARG 102 CO 0.00 -0.06 1.50 -1.35 0.02 0.00 0.00 175.30 175.41 2k2r h PRO 103 N 4.59 0.00 0.10 3.54 0.11 -1.91 0.78 132.00 139.21 2k2r h PRO 103 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 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 0.41 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.08 2k2r h GLU 104 N 0.00 -0.13 -0.83 1.05 5.08 -1.95 -2.84 114.58 114.96 2k2r h GLU 104 Ca 0.77 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 59.38 2k2r h GLU 104 Cb 3.40 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 32.65 2k2r h GLU 104 CO -0.01 0.23 1.08 -0.44 -1.00 0.00 0.00 179.01 178.87 2k2r h ASP 105 N -0.98 0.00 0.00 1.42 5.19 0.19 0.85 116.42 123.09 2k2r h ASP 105 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2k2r h ASP 105 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2k2r h ASP 105 CO 0.02 0.00 -0.02 0.40 -3.12 0.00 0.00 179.24 176.52 2k2r h ILE 106 N 0.00 0.00 -1.48 0.35 1.08 -1.41 -3.33 117.51 112.71 2k2r h ILE 106 Ca 0.39 -0.09 0.43 0.00 -0.39 0.00 0.00 64.86 65.20 2k2r h ILE 106 Cb 2.56 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.25 2k2r h ILE 106 CO -0.00 0.00 1.07 0.58 -0.69 0.00 0.00 178.15 179.11 2k2r h VAL 107 N -0.09 0.25 0.00 1.67 2.07 -0.85 0.19 116.25 119.50 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 0.02 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 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 -4.08 0.00 0.00 0.57 2.85 0.28 -4.51 115.26 110.37 2k2r n ASN 108 Ca 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 2k2r n ASN 108 Cb 1.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.56 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 -1.94 3.41 -0.20 0.00 1.47 -1.26 -4.69 116.67 113.45 2k2r s ASP 110 Ca 0.00 2.12 -0.16 0.00 1.18 0.00 0.00 52.55 55.69 2k2r s ASP 110 Cb 0.00 -2.56 -0.09 0.00 -0.34 0.00 0.00 42.92 39.93 2k2r s ASP 110 CO 0.00 -2.78 -0.24 0.18 0.68 0.00 0.00 175.17 173.01 2k2r n LEU 111 N -3.93 1.91 0.00 2.11 7.99 -1.26 -4.29 117.00 119.53 2k2r n LEU 111 Ca 0.11 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 2k2r n LEU 111 Cb 0.52 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 2k2r n LEU 111 CO 0.50 -0.01 0.15 1.17 -1.51 0.00 0.00 177.39 177.69 2k2r n LYS 112 N -4.43 0.00 0.45 3.23 4.81 -1.26 -0.09 118.16 120.88 2k2r n LYS 112 Ca -0.26 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.28 2k2r n LYS 112 Cb 0.59 -0.52 -0.10 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 -1.15 -0.97 3.14 4.64 -1.85 -2.73 113.55 114.62 2k2r h SER 113 Ca 0.00 0.06 0.33 0.00 -0.47 0.00 0.00 61.79 61.70 2k2r h SER 113 Cb 0.00 0.32 -0.17 0.00 -0.31 0.00 0.00 62.40 62.25 2k2r h SER 113 CO 0.00 -0.74 0.37 0.74 -0.87 0.00 0.00 176.83 176.32 2k2r h THR 114 N -1.21 0.14 -0.71 2.95 2.02 -1.59 0.92 112.91 115.43 2k2r h THR 114 Ca -0.11 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2k2r h THR 114 Cb 0.95 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2k2r h THR 114 CO 0.14 0.02 0.30 -0.07 0.37 0.00 0.00 175.52 176.28 2k2r h LEU 115 N 0.12 0.97 0.15 2.58 3.38 -0.21 -1.29 115.31 121.01 2k2r h LEU 115 Ca 0.71 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.52 2k2r h LEU 115 Cb 1.65 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 2k2r h LEU 115 CO -0.74 0.87 -0.24 -0.09 0.09 0.00 0.00 178.44 178.33 2k2r h ARG 116 N 1.01 -0.44 -0.38 1.13 1.12 0.11 -0.23 114.38 116.70 2k2r h ARG 116 Ca 0.24 0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 59.02 2k2r h ARG 116 Cb 0.19 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 2k2r h ARG 116 CO -0.02 -0.29 -0.22 0.28 -3.11 0.00 0.00 179.97 176.61 2k2r h VAL 117 N -0.45 1.28 -0.54 0.20 2.07 -1.37 -2.28 116.25 115.16 2k2r h VAL 117 Ca 0.02 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 2k2r h VAL 117 Cb 0.46 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2k2r h VAL 117 CO -0.11 0.45 0.05 -0.07 0.02 0.00 0.00 177.57 177.91 2k2r h LEU 118 N 0.63 0.85 0.21 2.57 -0.00 -1.13 -2.36 115.31 116.09 2k2r h LEU 118 Ca 0.08 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2k2r h LEU 118 Cb 0.78 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2k2r h LEU 118 CO 0.06 0.89 -0.14 0.22 -0.00 0.00 0.00 178.44 179.47 2k2r h TYR 119 N 0.83 -0.36 -1.09 1.13 3.20 -0.94 -0.84 116.97 118.91 2k2r h TYR 119 Ca 0.17 -0.00 0.35 0.00 3.14 0.00 0.00 58.73 62.38 2k2r h TYR 119 Cb 0.43 0.13 -0.14 0.00 1.54 0.00 0.00 36.73 38.70 2k2r h TYR 119 CO 0.03 -0.22 0.66 -0.97 -1.64 0.00 0.00 178.16 176.01 2k2r h ASN 120 N -0.35 0.43 0.19 -2.11 -0.00 -0.92 -0.84 115.58 111.98 2k2r h ASN 120 Ca -0.02 0.16 -0.01 0.00 -0.00 0.00 0.00 56.30 56.44 2k2r h ASN 120 Cb 0.30 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.74 2k2r h ASN 120 CO 0.01 -0.12 -0.09 -0.07 -0.00 0.00 0.00 177.43 177.16 2k2r h LEU 121 N 0.26 -0.21 -1.70 0.34 4.07 -0.71 -2.81 115.31 114.55 2k2r h LEU 121 Ca 0.74 0.01 0.49 0.00 0.08 0.00 0.00 57.88 59.20 2k2r h LEU 121 Cb 1.90 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 43.63 2k2r h LEU 121 CO -0.52 0.04 1.35 0.33 -1.08 0.00 0.00 178.44 178.57 2k2r n PHE 122 N -3.74 0.00 -0.02 1.13 7.35 -0.49 0.17 117.46 121.85 2k2r n PHE 122 Ca -0.03 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.53 2k2r n PHE 122 Cb 0.10 -0.42 -0.10 0.00 0.35 0.00 0.00 39.48 39.40 2k2r n PHE 122 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2k2r h THR 123 N 0.00 1.42 0.00 -2.13 2.02 -1.16 -1.05 112.91 112.01 2k2r h THR 123 Ca 0.81 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2k2r h THR 123 Cb 3.50 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 72.34 2k2r h THR 123 CO -0.01 0.38 -0.15 0.11 0.37 0.00 0.00 175.52 176.22 2k2r h LYS 124 N -0.72 0.00 0.00 6.66 1.57 0.20 -3.29 116.57 121.00 2k2r h LYS 124 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k2r h LYS 124 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2k2r h LYS 124 CO 0.01 0.15 -1.42 0.66 -0.57 0.00 0.00 179.45 178.28 2k2r n TYR 125 N -3.23 0.00 -0.57 -1.35 4.02 -0.15 -4.50 117.16 111.38 2k2r n TYR 125 Ca 0.01 0.00 0.47 0.00 -0.01 0.00 0.00 57.90 58.37 2k2r n TYR 125 Cb 0.45 -0.25 0.79 0.00 -0.02 0.00 0.00 39.34 40.31 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 0.01 0.00 -0.72 2.43 -1.25 2.66 114.38 117.51 2k2r h ARG 126 Ca 0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2k2r h ARG 126 Cb 0.58 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2k2r h ARG 126 CO 0.00 0.01 -0.71 -0.91 -1.51 0.00 0.00 179.97 176.85 2k2r h ASN 127 N 0.01 0.00 -2.93 -3.80 2.35 -1.80 -3.45 115.58 105.96 2k2r h ASN 127 Ca 0.82 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.94 2k2r h ASN 127 Cb 3.22 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 41.53 2k2r h ASN 127 CO -0.05 0.19 -0.52 -0.69 -1.65 0.00 0.00 177.43 174.70 2k2r s VAL 128 N -3.18 5.21 -2.00 2.81 1.01 0.89 -5.23 120.40 119.92 2k2r s VAL 128 Ca 0.02 -0.36 0.29 0.00 0.00 0.00 0.00 61.98 61.92 2k2r s VAL 128 Cb 0.08 -3.48 0.81 0.00 0.00 0.00 0.00 36.38 33.79 2k2r s VAL 128 CO 0.75 0.23 2.04 -0.62 0.00 0.00 0.00 175.10 177.50