#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 2.64 -0.24 -1.55 3.76 -1.26 -4.96 115.29 113.67 2k2r s HIS 2 Ca 0.00 0.57 -0.04 0.00 -0.15 0.00 0.00 55.06 55.44 2k2r s HIS 2 Cb 0.00 -4.46 0.08 0.00 1.11 0.00 0.00 32.58 29.31 2k2r s HIS 2 CO 0.00 -1.54 0.10 -1.21 -0.85 0.00 0.00 174.74 171.24 2k2r s GLU 3 N 4.81 0.28 -0.12 1.40 2.02 -1.26 -5.12 118.70 120.71 2k2r s GLU 3 Ca 0.48 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.82 2k2r s GLU 3 Cb -0.08 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2k2r s GLU 3 CO 0.29 -0.86 0.56 0.50 0.02 0.00 0.00 175.26 175.76 2k2r s ARG 4 N 2.02 4.33 0.00 1.61 3.00 -1.26 -4.95 118.95 123.70 2k2r s ARG 4 Ca 0.06 0.58 0.00 0.00 -1.00 0.00 0.00 55.73 55.37 2k2r s ARG 4 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.32 2k2r s ARG 4 CO -0.24 0.05 0.00 -3.47 0.00 0.00 0.00 175.30 171.64 2k2r n ASP 5 N 4.00 0.35 0.14 -2.12 -0.08 -1.26 -5.03 116.55 112.56 2k2r n ASP 5 Ca -0.05 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.13 2k2r n ASP 5 Cb 0.51 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.91 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 1.17 -0.43 -0.50 -1.67 0.00 -1.99 -3.05 119.26 112.78 2k2r h ALA 6 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2k2r h ALA 6 Cb 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2k2r h ALA 6 CO 0.00 -0.46 -0.45 0.27 0.00 0.00 0.00 179.25 178.61 2k2r h PHE 7 N -1.00 -1.40 -0.16 0.00 -0.00 -1.97 1.18 116.94 113.60 2k2r h PHE 7 Ca -0.04 0.08 0.02 0.00 -0.00 0.00 0.00 57.97 58.02 2k2r h PHE 7 Cb 0.48 0.67 -0.02 0.00 -0.00 0.00 0.00 35.95 37.08 2k2r h PHE 7 CO 0.03 -0.35 -0.15 0.22 -0.00 0.00 0.00 178.31 178.07 2k2r h ASP 8 N -0.19 -0.51 -0.24 -0.68 3.58 -1.93 1.54 116.42 117.99 2k2r h ASP 8 Ca 0.08 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.67 2k2r h ASP 8 Cb 0.41 0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.60 2k2r h ASP 8 CO -0.57 -0.09 -0.23 0.74 -2.88 0.00 0.00 179.24 176.21 2k2r h THR 9 N -0.07 0.41 0.39 2.25 2.02 -1.26 1.40 112.91 118.05 2k2r h THR 9 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2k2r h THR 9 Cb 0.14 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2k2r h THR 9 CO -0.18 0.00 -0.47 -0.07 0.37 0.00 0.00 175.52 175.17 2k2r h LEU 10 N -0.24 -1.32 -0.04 2.58 3.38 0.26 1.66 115.31 121.60 2k2r h LEU 10 Ca 0.14 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2k2r h LEU 10 Cb 0.45 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2k2r h LEU 10 CO -0.38 -0.59 -0.17 -0.26 0.09 0.00 0.00 178.44 177.12 2k2r h PHE 11 N -0.88 -0.45 0.06 1.13 0.04 0.26 2.97 116.94 120.06 2k2r h PHE 11 Ca -0.05 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2k2r h PHE 11 Cb 0.78 0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2k2r h PHE 11 CO -0.28 -0.25 -0.03 0.22 -0.60 0.00 0.00 178.31 177.37 2k2r h ASP 12 N -0.26 -0.07 -0.06 2.17 1.82 0.23 -3.06 116.42 117.19 2k2r h ASP 12 Ca 0.07 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k2r h ASP 12 Cb 0.36 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2k2r h ASP 12 CO -0.20 0.02 0.00 1.41 -1.61 0.00 0.00 179.24 178.86 2k2r n HIS 13 N -5.09 0.05 -2.70 0.28 8.25 0.56 -4.77 115.22 111.81 2k2r n HIS 13 Ca -0.08 -0.03 -0.06 0.00 -0.26 0.00 0.00 57.72 57.30 2k2r n HIS 13 Cb 0.09 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.27 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k2r n ALA 14 N 1.25 -2.65 0.29 -1.41 0.00 0.99 -4.95 120.51 114.02 2k2r n ALA 14 Ca 0.13 -0.75 0.13 0.00 0.00 0.00 0.00 53.44 52.95 2k2r n ALA 14 Cb 0.55 -2.47 0.61 0.00 0.00 0.00 0.00 19.45 18.14 2k2r n ALA 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k2r h PRO 15 N 3.33 0.00 0.07 0.00 0.11 -1.32 -2.08 132.00 132.12 2k2r h PRO 15 Ca -0.21 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.67 2k2r h PRO 15 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2k2r h PRO 15 CO 0.02 0.00 -1.23 -0.44 -0.21 0.00 0.00 178.00 176.13 2k2r h ASP 16 N 0.00 0.24 -0.64 -2.05 3.32 -1.90 -3.24 116.42 112.15 2k2r h ASP 16 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 57.03 56.23 2k2r h ASP 16 Cb 0.21 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2k2r h ASP 16 CO 0.00 1.52 0.28 0.11 -1.72 0.00 0.00 179.24 179.44 2k2r h LYS 17 N -0.55 0.97 -0.69 3.56 1.57 -1.84 -1.33 116.57 118.28 2k2r h LYS 17 Ca -0.28 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.45 2k2r h LYS 17 Cb 1.57 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.63 2k2r h LYS 17 CO -0.02 0.78 0.30 1.25 -0.57 0.00 0.00 179.45 181.20 2k2r h LEU 18 N 0.96 0.34 -0.16 2.94 6.46 -1.51 0.85 115.31 125.19 2k2r h LEU 18 Ca 0.23 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.10 2k2r h LEU 18 Cb 0.16 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 2k2r h LEU 18 CO -0.02 0.19 -0.08 -1.13 -0.62 0.00 0.00 178.44 176.77 2k2r h ASN 19 N 0.50 -0.28 -0.61 1.25 -0.73 -1.27 -1.06 115.58 113.38 2k2r h ASN 19 Ca 0.35 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.58 2k2r h ASN 19 Cb 0.43 0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 2k2r h ASN 19 CO -0.31 -0.11 0.35 0.58 -0.37 0.00 0.00 177.43 177.56 2k2r h VAL 20 N -0.07 1.19 -0.31 2.57 2.07 -0.92 -1.25 116.25 119.52 2k2r h VAL 20 Ca 0.09 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2k2r h VAL 20 Cb 0.21 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2k2r h VAL 20 CO -0.21 0.21 0.17 0.58 0.02 0.00 0.00 177.57 178.34 2k2r h VAL 21 N 0.88 1.10 -0.17 2.57 2.07 0.35 -0.95 116.25 122.10 2k2r h VAL 21 Ca 0.22 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2k2r h VAL 21 Cb 0.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2k2r h VAL 21 CO -0.04 0.11 0.02 0.50 0.02 0.00 0.00 177.57 178.19 2k2r h LYS 22 N 0.43 0.29 -0.09 1.57 3.64 -0.35 -1.25 116.57 120.80 2k2r h LYS 22 Ca 0.11 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2k2r h LYS 22 Cb 0.02 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2k2r h LYS 22 CO -0.02 0.47 0.24 0.87 -2.27 0.00 0.00 179.45 178.75 2k2r h LYS 23 N 0.07 0.00 0.20 1.90 1.57 -0.90 0.53 116.57 119.94 2k2r h LYS 23 Ca 0.05 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 2k2r h LYS 23 Cb 0.32 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.67 2k2r h LYS 23 CO 0.00 0.00 -1.30 1.15 -0.57 0.00 0.00 179.45 178.74 2k2r h THR 24 N 0.00 1.33 -0.39 -0.16 2.02 -0.52 -2.27 112.91 112.91 2k2r h THR 24 Ca 0.05 -2.61 -0.02 0.00 0.77 0.00 0.00 66.41 64.60 2k2r h THR 24 Cb 0.53 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.92 2k2r h THR 24 CO -0.00 0.78 0.16 -0.07 0.37 0.00 0.00 175.52 176.76 2k2r h LEU 25 N 0.08 0.49 -1.20 2.58 3.38 -0.38 0.11 115.31 120.38 2k2r h LEU 25 Ca -0.22 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2k2r h LEU 25 Cb 2.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2k2r h LEU 25 CO 0.25 0.44 0.02 0.40 0.09 0.00 0.00 178.44 179.64 2k2r h ILE 26 N 0.55 1.20 -0.55 1.22 2.04 -0.94 -2.39 117.51 118.64 2k2r h ILE 26 Ca 0.14 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 2k2r h ILE 26 Cb 0.10 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2k2r h ILE 26 CO -0.02 0.27 0.05 0.74 0.00 0.00 0.00 178.15 179.20 2k2r h THR 27 N 0.55 1.25 -0.22 -0.27 2.02 -0.17 0.95 112.91 117.02 2k2r h THR 27 Ca 0.12 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2k2r h THR 27 Cb 0.32 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2k2r h THR 27 CO 0.01 0.36 0.10 0.15 0.37 0.00 0.00 175.52 176.50 2k2r h PHE 28 N 0.84 0.33 -0.32 3.16 3.57 -1.09 -1.06 116.94 122.37 2k2r h PHE 28 Ca 0.17 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2k2r h PHE 28 Cb 0.43 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2k2r h PHE 28 CO 0.03 0.35 -0.02 0.28 -2.23 0.00 0.00 178.31 176.72 2k2r h VAL 29 N 0.21 1.26 0.00 1.41 2.07 -1.35 -1.41 116.25 118.45 2k2r h VAL 29 Ca 0.07 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2k2r h VAL 29 Cb 0.15 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2k2r h VAL 29 CO -0.01 0.32 0.25 -1.13 0.02 0.00 0.00 177.57 177.02 2k2r h ASN 30 N 0.37 0.00 0.07 0.57 -0.73 -0.52 0.67 115.58 116.00 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 0.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.06 2k2r h ASN 30 CO 0.02 0.00 -0.03 0.50 -0.37 0.00 0.00 177.43 177.55 2k2r h LYS 31 N 0.00 -0.09 0.00 6.67 3.64 -0.06 2.17 116.57 128.91 2k2r h LYS 31 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2k2r h LYS 31 Cb 0.50 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2k2r h LYS 31 CO 0.00 0.23 0.00 0.45 -2.27 0.00 0.00 179.45 177.86 2k2r h HIS 32 N -0.99 0.00 0.11 1.91 3.86 -1.04 -1.89 115.15 117.10 2k2r h HIS 32 Ca -0.01 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.95 2k2r h HIS 32 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 2k2r h HIS 32 CO 0.08 0.00 -1.29 -0.07 0.86 0.00 0.00 177.93 177.51 2k2r h LEU 33 N 0.00 0.35 -1.91 2.43 3.38 0.31 -3.26 115.31 116.60 2k2r h LEU 33 Ca 0.00 -0.85 0.36 0.00 0.09 0.00 0.00 57.88 57.48 2k2r h LEU 33 Cb 0.40 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2k2r h LEU 33 CO 0.00 1.56 0.89 -1.13 0.09 0.00 0.00 178.44 179.85 2k2r h ASN 34 N -0.38 0.06 0.13 -0.43 -1.24 0.44 -0.67 115.58 113.48 2k2r h ASN 34 Ca -0.28 0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.76 2k2r h ASN 34 Cb 1.69 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.70 2k2r h ASN 34 CO 0.05 0.00 -0.50 0.11 -1.29 0.00 0.00 177.43 175.80 2k2r h LYS 35 N 0.05 -0.70 0.00 6.67 1.79 -1.50 1.48 116.57 124.36 2k2r h LYS 35 Ca 0.61 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 2k2r h LYS 35 Cb 2.33 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 33.14 2k2r h LYS 35 CO -0.05 -0.46 0.00 -0.11 -1.08 0.00 0.00 179.45 177.74 2k2r n LEU 36 N -5.28 0.00 -3.37 2.94 7.94 -0.34 -4.84 117.00 114.04 2k2r n LEU 36 Ca -0.08 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.67 2k2r n LEU 36 Cb 0.39 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.35 2k2r n LEU 36 CO 0.15 0.00 0.01 -0.46 -1.11 0.00 0.00 177.39 175.99 2k2r n ASN 37 N -0.52 -6.43 0.00 1.96 0.23 0.51 -5.02 115.26 105.98 2k2r n ASN 37 Ca 0.01 -0.35 0.00 0.00 -0.53 0.00 0.00 54.58 53.71 2k2r n ASN 37 Cb 0.00 -3.51 0.00 0.00 -2.08 0.00 0.00 39.78 34.19 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 -1.73 0.00 -3.37 -4.53 4.77 -1.08 -4.95 117.00 106.11 2k2r n LEU 38 Ca -0.12 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.88 2k2r n LEU 38 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2k2r n LEU 38 CO 0.57 0.00 0.48 -0.70 -1.33 0.00 0.00 177.39 176.41 2k2r s GLU 39 N 1.56 0.36 0.23 3.23 2.12 -1.26 -4.63 118.70 120.31 2k2r s GLU 39 Ca 0.00 0.84 0.06 0.00 0.36 0.00 0.00 54.97 56.23 2k2r s GLU 39 Cb 0.00 0.50 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 2k2r s GLU 39 CO 0.00 -0.21 0.25 0.54 -0.54 0.00 0.00 175.26 175.30 2k2r s VAL 40 N 2.67 4.80 0.00 3.70 0.11 -1.26 -5.02 120.40 125.39 2k2r s VAL 40 Ca 0.00 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 2k2r s VAL 40 Cb -0.09 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2k2r s VAL 40 CO -0.17 -0.29 0.00 0.41 -3.33 0.00 0.00 175.10 171.72 2k2r n THR 41 N -1.10 0.00 -3.58 5.04 -1.04 -1.26 -4.98 114.28 107.37 2k2r n THR 41 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.65 2k2r n THR 41 Cb 0.57 0.63 -0.11 0.00 -1.82 0.00 0.00 70.33 69.59 2k2r n THR 41 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k2r s GLU 42 N 0.00 1.27 0.23 -2.82 2.12 -1.26 -4.96 118.70 113.28 2k2r s GLU 42 Ca 0.00 -2.25 -0.06 0.00 0.36 0.00 0.00 54.97 53.02 2k2r s GLU 42 Cb 0.00 -2.02 0.37 0.00 0.26 0.00 0.00 34.13 32.74 2k2r s GLU 42 CO 0.00 -1.30 1.77 1.25 -0.54 0.00 0.00 175.26 176.44 2k2r h LEU 43 N 5.99 0.45 -0.02 2.70 7.12 -1.94 -0.53 115.31 129.08 2k2r h LEU 43 Ca 0.16 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.26 2k2r h LEU 43 Cb 0.89 -0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.97 2k2r h LEU 43 CO 0.45 0.24 -0.44 -0.33 -0.13 0.00 0.00 178.44 178.24 2k2r h GLU 44 N 0.59 -0.51 0.00 1.25 5.08 -1.91 -1.02 114.58 118.06 2k2r h GLU 44 Ca 0.37 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 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 -0.29 -0.34 0.00 0.25 -1.00 0.00 0.00 179.01 177.62 2k2r n THR 45 N -4.88 0.03 0.36 1.13 -2.24 -1.04 -2.79 114.28 104.85 2k2r n THR 45 Ca -0.06 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 2k2r n THR 45 Cb 0.32 -0.58 0.45 0.00 -2.10 0.00 0.00 70.33 68.42 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k2r h GLN 46 N 0.00 0.00 0.00 -0.78 1.08 0.31 -1.72 115.11 113.99 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 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2k2r h GLN 46 CO 0.00 0.00 -1.33 1.19 -0.95 0.00 0.00 178.83 177.74 2k2r n PHE 47 N -2.73 0.22 0.51 2.96 3.01 -1.12 -2.87 117.46 117.44 2k2r n PHE 47 Ca 0.03 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2k2r n PHE 47 Cb 0.37 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.95 2.57 0.00 4.37 0.00 -0.65 -2.38 120.51 122.46 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 0.47 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.84 0.00 0.00 0.00 2.03 -1.25 -4.97 116.55 113.20 2k2r n ASP 49 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k2r n ASP 49 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.02 0.00 0.08 0.27 0.00 -1.00 -4.69 105.19 99.83 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 -1.90 -2.83 116.25 115.20 2k2r h VAL 51 Ca 0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2k2r h VAL 51 Cb 0.16 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2k2r h VAL 51 CO 0.00 0.00 0.31 1.88 0.02 0.00 0.00 177.57 179.78 2k2r h TYR 52 N -0.94 0.00 0.00 1.57 0.05 -1.84 0.15 116.97 115.96 2k2r h TYR 52 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2k2r h TYR 52 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2k2r h TYR 52 CO 0.00 0.00 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.04 2k2r h LEU 53 N 0.00 -0.00 -1.83 3.88 4.07 -1.79 -2.77 115.31 116.87 2k2r h LEU 53 Ca 0.00 -0.85 0.22 0.00 0.08 0.00 0.00 57.88 57.33 2k2r h LEU 53 Cb 0.63 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.33 2k2r h LEU 53 CO 0.00 0.91 0.57 0.58 -1.08 0.00 0.00 178.44 179.43 2k2r h VAL 54 N -0.99 0.63 0.48 1.22 2.07 -0.46 0.44 116.25 119.64 2k2r h VAL 54 Ca -0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2k2r h VAL 54 Cb 0.85 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2k2r h VAL 54 CO 0.00 0.03 -0.23 -0.07 0.02 0.00 0.00 177.57 177.32 2k2r h LEU 55 N 0.14 -0.54 -0.91 2.57 3.38 -1.47 -2.65 115.31 115.83 2k2r h LEU 55 Ca 0.41 -0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.50 2k2r h LEU 55 Cb 1.38 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 42.10 2k2r h LEU 55 CO -0.06 -0.24 -0.16 0.25 0.09 0.00 0.00 178.44 178.32 2k2r h LEU 56 N -0.85 -0.73 -0.93 1.67 5.85 -0.63 0.58 115.31 120.27 2k2r h LEU 56 Ca -0.07 0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2k2r h LEU 56 Cb 0.58 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 2k2r h LEU 56 CO 0.11 -0.30 0.59 0.24 -0.34 0.00 0.00 178.44 178.74 2k2r h MET 57 N 0.01 1.02 0.02 1.25 2.86 -1.23 -1.39 114.93 117.48 2k2r h MET 57 Ca 0.46 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.89 2k2r h MET 57 Cb 0.77 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.21 2k2r h MET 57 CO -0.91 0.68 -0.58 0.78 1.06 0.00 0.00 176.91 177.94 2k2r h GLY 58 N 1.06 0.40 2.00 8.32 0.00 0.44 -2.63 103.07 112.66 2k2r h GLY 58 Ca 0.41 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k2r h GLY 58 CO -0.18 0.66 0.00 1.41 0.00 0.00 0.00 176.54 178.42 2k2r h LEU 59 N -0.20 0.00 0.03 3.11 3.38 -0.97 -0.12 115.31 120.54 2k2r h LEU 59 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2k2r h LEU 59 Cb 1.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.08 2k2r h LEU 59 CO 0.11 0.00 -0.27 0.25 0.09 0.00 0.00 178.44 178.62 2k2r h LEU 60 N 0.00 0.19 -1.28 1.67 7.12 -1.17 -3.21 115.31 118.63 2k2r h LEU 60 Ca 0.00 -0.90 0.06 0.00 0.13 0.00 0.00 57.88 57.17 2k2r h LEU 60 Cb 0.16 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.18 2k2r h LEU 60 CO 0.00 1.07 0.52 -0.33 -0.13 0.00 0.00 178.44 179.57 2k2r h GLU 61 N -0.67 0.86 0.00 1.25 5.08 -0.71 -3.46 114.58 116.94 2k2r h GLU 61 Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2k2r h GLU 61 Cb 1.14 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k2r h GLU 61 CO 0.05 0.57 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 2k2r n GLY 62 N -1.43 0.56 3.67 -3.84 0.00 -0.33 -5.12 105.19 98.70 2k2r n GLY 62 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.07 -0.16 0.67 1.61 1.13 -1.21 -5.06 117.35 113.25 2k2r s TYR 63 Ca 0.00 -0.05 -0.17 0.00 -1.41 0.00 0.00 57.07 55.43 2k2r s TYR 63 Cb 0.00 0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 41.45 2k2r s TYR 63 CO 0.00 -0.63 1.23 0.34 -2.51 0.00 0.00 175.55 173.97 2k2r n PHE 64 N -0.40 1.66 -2.97 -3.49 7.35 -1.26 -4.36 117.46 113.99 2k2r n PHE 64 Ca -0.07 0.42 -0.41 0.00 -0.76 0.00 0.00 57.45 56.64 2k2r n PHE 64 Cb 0.61 -2.22 -0.04 0.00 0.35 0.00 0.00 39.48 38.17 2k2r n PHE 64 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2k2r s VAL 65 N -1.51 4.97 1.04 -2.13 0.11 -1.26 -4.99 120.40 116.64 2k2r s VAL 65 Ca 0.81 1.54 -0.12 0.00 -2.93 0.00 0.00 61.98 61.28 2k2r s VAL 65 Cb -0.37 -4.09 0.18 0.00 -1.53 0.00 0.00 36.38 30.57 2k2r s VAL 65 CO 0.43 0.15 0.88 -2.65 -3.33 0.00 0.00 175.10 170.57 2k2r n PRO 66 N 4.42 -1.34 -0.04 1.54 -0.01 -1.26 -4.94 135.00 133.37 2k2r n PRO 66 Ca 0.01 -0.35 -0.13 0.00 -0.01 0.00 0.00 63.50 63.03 2k2r n PRO 66 Cb 0.50 -2.16 -0.11 0.00 -0.01 0.00 0.00 33.50 31.72 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 2k2r h LEU 67 N -2.18 -0.01 -1.53 2.45 -0.00 -2.01 -3.14 115.31 108.89 2k2r h LEU 67 Ca -0.51 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 56.61 2k2r h LEU 67 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 2k2r h LEU 67 CO 0.43 0.77 0.00 0.00 -0.00 0.00 0.00 178.44 179.64 2k2r n HIS 68 N -4.72 0.00 0.03 1.13 1.44 -1.26 -3.57 115.22 108.27 2k2r n HIS 68 Ca -0.09 -0.26 -0.08 0.00 -2.01 0.00 0.00 57.72 55.28 2k2r n HIS 68 Cb 0.37 -0.18 -0.13 0.00 0.12 0.00 0.00 29.99 30.18 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 0.03 0.00 0.00 4.39 0.87 -1.91 -3.46 113.55 113.48 2k2r h SER 69 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2r h SER 69 Cb 0.75 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2k2r h SER 69 CO 0.00 1.00 0.00 0.49 -0.53 0.00 0.00 176.83 177.79 2k2r n PHE 70 N -3.25 -0.22 -3.29 2.24 3.72 -1.23 -5.04 117.46 110.39 2k2r n PHE 70 Ca -0.06 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.09 2k2r n PHE 70 Cb 0.98 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.43 2k2r n PHE 70 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2k2r n PHE 71 N -0.22 -0.60 -3.02 1.38 3.72 -1.26 -5.11 117.46 112.36 2k2r n PHE 71 Ca 0.00 -3.44 0.10 0.00 -0.05 0.00 0.00 57.45 54.05 2k2r n PHE 71 Cb 0.00 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2k2r n LEU 72 N 2.09 0.00 -4.56 4.37 4.77 -1.26 -4.66 117.00 117.75 2k2r n LEU 72 Ca 0.25 0.79 -0.36 0.00 -0.03 0.00 0.00 56.01 56.66 2k2r n LEU 72 Cb 0.50 -2.22 -0.11 0.00 -2.33 0.00 0.00 43.42 39.26 2k2r n LEU 72 CO 0.13 -2.13 -0.23 0.28 -1.33 0.00 0.00 177.39 174.11 2k2r s THR 73 N -1.14 4.83 0.07 -5.08 -1.32 -1.26 -5.04 115.64 106.69 2k2r s THR 73 Ca 0.00 -0.00 -0.37 0.00 -1.21 0.00 0.00 61.69 60.11 2k2r s THR 73 Cb 0.00 -3.24 -0.18 0.00 -1.51 0.00 0.00 72.50 67.57 2k2r s THR 73 CO 0.00 0.36 1.14 -2.65 -2.21 0.00 0.00 174.62 171.26 2k2r n PRO 74 N 4.45 0.56 0.00 7.08 -0.02 -1.26 -4.86 135.00 140.94 2k2r n PRO 74 Ca -0.16 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2k2r n PRO 74 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.96 1.48 -1.09 2.55 2.03 -1.26 -5.07 116.55 117.15 2k2r n ASP 75 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2k2r n ASP 75 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k2r n SER 76 N -2.53 1.13 0.09 1.67 3.41 -1.26 -5.05 113.62 111.09 2k2r n SER 76 Ca 0.00 -0.70 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 2k2r n SER 76 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.70 -0.29 -0.90 7.33 3.57 -1.99 -3.01 116.94 122.35 2k2r h PHE 77 Ca 0.00 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.74 2k2r h PHE 77 Cb 0.00 0.10 -0.14 0.00 2.79 0.00 0.00 35.95 38.69 2k2r h PHE 77 CO 0.00 0.02 0.28 1.49 -2.23 0.00 0.00 178.31 177.87 2k2r h GLU 78 N -0.99 0.22 -0.58 1.11 4.81 -1.98 0.88 114.58 118.04 2k2r h GLU 78 Ca -0.03 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2k2r h GLU 78 Cb 0.44 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2k2r h GLU 78 CO 0.05 0.14 0.17 -0.56 -0.73 0.00 0.00 179.01 178.08 2k2r h GLN 79 N 0.22 0.89 0.28 1.92 -0.00 -1.97 -1.91 115.11 114.54 2k2r h GLN 79 Ca 0.58 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 59.04 2k2r h GLN 79 Cb 1.19 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.54 2k2r h GLN 79 CO -0.65 0.78 -0.13 0.87 -0.00 0.00 0.00 178.83 179.69 2k2r h LYS 80 N 0.86 -0.36 -0.85 0.06 1.57 0.81 -0.48 116.57 118.17 2k2r h LYS 80 Ca 0.19 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.24 2k2r h LYS 80 Cb 0.27 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2k2r h LYS 80 CO -0.01 -0.06 0.63 0.28 -0.57 0.00 0.00 179.45 179.71 2k2r h VAL 81 N -0.67 0.55 0.15 0.50 2.07 -0.69 -0.65 116.25 117.52 2k2r h VAL 81 Ca -0.04 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 2k2r h VAL 81 Cb 0.47 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2k2r h VAL 81 CO 0.06 0.00 -1.15 0.25 0.02 0.00 0.00 177.57 176.75 2k2r h LEU 82 N 0.00 0.49 -1.87 2.57 5.85 -1.00 -0.93 115.31 120.42 2k2r h LEU 82 Ca 0.40 -0.91 0.08 0.00 0.84 0.00 0.00 57.88 58.29 2k2r h LEU 82 Cb 1.65 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 2k2r h LEU 82 CO -0.00 1.53 0.26 -1.13 -0.34 0.00 0.00 178.44 178.75 2k2r h ASN 83 N -0.26 0.14 0.48 1.25 -0.73 0.36 -0.15 115.58 116.66 2k2r h ASN 83 Ca -0.22 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.65 2k2r h ASN 83 Cb 1.77 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 40.31 2k2r h ASN 83 CO 0.14 0.09 -1.60 0.58 -0.37 0.00 0.00 177.43 176.26 2k2r h VAL 84 N 0.15 1.03 0.00 2.57 2.07 -1.29 -2.89 116.25 117.90 2k2r h VAL 84 Ca 0.17 -2.76 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 2k2r h VAL 84 Cb 0.48 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2k2r h VAL 84 CO -0.02 0.74 -0.13 0.28 0.02 0.00 0.00 177.57 178.45 2k2r h SER 85 N 0.04 0.00 0.18 0.57 0.02 -0.14 0.15 113.55 114.37 2k2r h SER 85 Ca -0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2k2r h SER 85 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2k2r h SER 85 CO 0.12 0.13 -0.09 0.15 -1.14 0.00 0.00 176.83 176.01 2k2r h PHE 86 N 0.00 -0.23 -0.70 3.45 3.57 -1.10 -0.60 116.94 121.33 2k2r h PHE 86 Ca -0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 86 Cb 0.31 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2k2r h PHE 86 CO 0.00 0.10 0.47 0.00 -2.23 0.00 0.00 178.31 176.66 2k2r h ALA 87 N -0.64 2.14 0.00 2.41 0.00 -1.27 1.50 119.26 123.40 2k2r h ALA 87 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k2r h ALA 87 Cb 0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k2r h ALA 87 CO 0.04 -0.33 -0.04 0.35 0.00 0.00 0.00 179.25 179.27 2k2r h PHE 88 N 0.37 0.00 0.12 0.00 3.04 -0.92 -1.61 116.94 117.94 2k2r h PHE 88 Ca 0.34 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 62.10 2k2r h PHE 88 Cb 0.81 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.34 2k2r h PHE 88 CO -0.00 0.04 -0.89 0.93 -2.02 0.00 0.00 178.31 176.37 2k2r h GLU 89 N 0.00 0.25 0.00 1.11 4.39 0.37 -0.10 114.58 120.59 2k2r h GLU 89 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2k2r h GLU 89 Cb 0.70 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2k2r h GLU 89 CO 0.01 1.20 0.00 1.25 -1.16 0.00 0.00 179.01 180.31 2k2r h LEU 90 N -0.44 0.00 0.03 1.33 6.46 -1.12 -2.33 115.31 119.23 2k2r h LEU 90 Ca -0.17 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.45 2k2r h LEU 90 Cb 1.59 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.51 2k2r h LEU 90 CO 0.10 0.00 -0.73 0.24 -0.62 0.00 0.00 178.44 177.43 2k2r h MET 91 N 0.00 0.06 -0.53 1.25 2.86 -1.30 0.13 114.93 117.40 2k2r h MET 91 Ca 0.00 -0.10 0.15 0.00 -2.06 0.00 0.00 59.70 57.69 2k2r h MET 91 Cb 0.52 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2k2r h MET 91 CO 0.00 1.05 0.45 0.37 1.06 0.00 0.00 176.91 179.83 2k2r h GLN 92 N -0.85 0.00 0.00 1.72 5.75 -0.85 0.42 115.11 121.30 2k2r h GLN 92 Ca -0.18 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.25 2k2r h GLN 92 Cb 1.27 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 2k2r h GLN 92 CO -0.06 0.00 -0.53 0.22 -2.65 0.00 0.00 178.83 175.82 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 1.82 -1.45 -3.27 116.42 112.83 2k2r h ASP 93 Ca 0.25 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2k2r h ASP 93 Cb 1.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.15 2k2r h ASP 93 CO -0.00 0.96 0.00 0.61 -1.61 0.00 0.00 179.24 179.20 2k2r n GLY 94 N 1.60 -0.05 0.00 -0.78 0.00 0.44 -4.86 105.19 101.53 2k2r n GLY 94 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.03 0.76 5.05 -0.02 0.00 0.14 -5.01 105.19 105.08 2k2r n GLY 95 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 7.94 -1.22 -3.99 117.00 120.71 2k2r n LEU 96 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2k2r n LEU 96 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2k2r n LEU 96 CO 0.00 0.00 -0.13 -0.62 -1.11 0.00 0.00 177.39 175.53 2k2r n GLU 97 N 0.00 -1.47 -3.89 1.96 1.02 -1.26 -4.84 120.64 112.16 2k2r n GLU 97 Ca 0.00 0.97 -0.32 0.00 -0.02 0.00 0.00 57.16 57.79 2k2r n GLU 97 Cb 0.00 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.55 -1.10 -1.44 3.49 5.02 -1.26 -4.92 118.16 115.40 2k2r n LYS 98 Ca 0.00 0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 56.52 2k2r n LYS 98 Cb 0.33 -2.39 0.10 0.00 -0.02 0.00 0.00 35.03 33.06 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 -5.79 1.87 0.11 1.97 0.04 -1.26 -4.99 135.00 126.96 2k2r s PRO 99 Ca 0.17 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2k2r s PRO 99 Cb -0.09 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k2r s PRO 99 CO 0.92 -1.79 0.00 1.63 0.04 0.00 0.00 177.00 177.80 2k2r n LYS 100 N -3.56 0.00 0.00 4.56 5.02 -1.26 -5.14 118.16 117.78 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 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 -2.75 2.01 -3.98 1.97 -0.04 -1.26 -5.12 135.00 125.83 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 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 1.13 0.31 0.61 0.54 0.52 -1.26 -4.99 118.95 115.81 2k2r s ARG 102 Ca 0.00 -0.59 0.24 0.00 -0.52 0.00 0.00 55.73 54.86 2k2r s ARG 102 Cb 0.00 0.08 0.87 0.00 0.52 0.00 0.00 34.95 36.42 2k2r s ARG 102 CO 0.00 -0.04 1.32 -1.35 0.02 0.00 0.00 175.30 175.25 2k2r h PRO 103 N 4.71 0.00 0.04 3.54 0.11 -1.91 0.77 132.00 139.27 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 -0.02 0.93 -0.21 0.00 0.00 178.00 179.12 2k2r h GLU 104 N 0.00 -0.05 -1.19 1.05 5.08 -1.94 -2.78 114.58 114.74 2k2r h GLU 104 Ca 0.42 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 59.13 2k2r h GLU 104 Cb 2.71 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.92 2k2r h GLU 104 CO -0.00 0.21 1.19 -0.44 -1.00 0.00 0.00 179.01 178.96 2k2r h ASP 105 N -1.00 0.00 0.00 1.42 5.19 0.17 1.00 116.42 123.19 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 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2k2r h ASP 105 CO 0.01 0.00 -0.04 0.40 -3.12 0.00 0.00 179.24 176.49 2k2r h ILE 106 N 0.00 0.00 -1.41 0.35 1.08 -1.49 -3.33 117.51 112.71 2k2r h ILE 106 Ca 0.57 -0.18 0.44 0.00 -0.39 0.00 0.00 64.86 65.30 2k2r h ILE 106 Cb 2.94 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 36.58 2k2r h ILE 106 CO -0.01 0.00 0.94 0.58 -0.69 0.00 0.00 178.15 178.97 2k2r h VAL 107 N -0.18 0.14 0.00 1.67 2.07 -0.68 0.46 116.25 119.73 2k2r h VAL 107 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k2r h VAL 107 Cb 0.04 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2k2r h VAL 107 CO 0.00 0.01 0.00 -3.20 0.02 0.00 0.00 177.57 174.40 2k2r n ASN 108 N -4.53 0.00 0.00 0.57 2.85 0.32 -4.45 115.26 110.03 2k2r n ASN 108 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 2k2r n ASN 108 Cb 1.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.51 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r n ASP 110 N 0.00 0.27 -0.13 0.00 5.68 -1.26 -4.73 116.55 116.38 2k2r n ASP 110 Ca 0.00 0.54 -0.27 0.00 -0.50 0.00 0.00 54.79 54.55 2k2r n ASP 110 Cb 0.00 -1.43 -0.10 0.00 -1.14 0.00 0.00 41.12 38.45 2k2r n ASP 110 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k2r n LEU 111 N -2.75 1.93 0.00 -2.12 4.77 -1.26 -4.24 117.00 113.32 2k2r n LEU 111 Ca 0.12 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2k2r n LEU 111 Cb 0.51 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2k2r n LEU 111 CO 0.49 0.48 0.18 1.17 -1.33 0.00 0.00 177.39 178.38 2k2r n LYS 112 N -4.31 0.00 0.38 3.23 4.81 -1.26 -0.15 118.16 120.86 2k2r n LYS 112 Ca -0.48 0.37 -0.19 0.00 -0.87 0.00 0.00 58.31 57.14 2k2r n LYS 112 Cb 0.82 -0.63 -0.09 0.00 0.02 0.00 0.00 35.03 35.15 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 -1.09 -0.98 3.14 4.64 -1.86 -2.34 113.55 115.06 2k2r h SER 113 Ca 0.00 0.06 0.41 0.00 -0.47 0.00 0.00 61.79 61.79 2k2r h SER 113 Cb 0.00 0.32 -0.18 0.00 -0.31 0.00 0.00 62.40 62.23 2k2r h SER 113 CO 0.00 -0.67 0.53 1.07 -0.87 0.00 0.00 176.83 176.89 2k2r n THR 114 N -5.57 -0.41 0.02 2.95 5.66 -0.87 0.14 114.28 116.20 2k2r n THR 114 Ca -0.14 1.99 -0.12 0.00 -3.05 0.00 0.00 64.05 62.73 2k2r n THR 114 Cb 0.45 -3.24 -0.08 0.00 -1.55 0.00 0.00 70.33 65.91 2k2r n THR 114 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2k2r h LEU 115 N 0.00 0.01 -0.38 1.09 6.46 -0.00 -0.34 115.31 122.15 2k2r h LEU 115 Ca 0.83 -0.13 0.07 0.00 -0.12 0.00 0.00 57.88 58.53 2k2r h LEU 115 Cb 2.20 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 42.04 2k2r h LEU 115 CO -0.76 0.14 -0.39 0.03 -0.62 0.00 0.00 178.44 176.85 2k2r h ARG 116 N -0.12 -0.30 0.13 1.25 3.08 0.15 -0.24 114.38 118.33 2k2r h ARG 116 Ca 0.00 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2k2r h ARG 116 Cb 0.13 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2k2r h ARG 116 CO -0.00 -0.20 -0.06 0.28 -1.07 0.00 0.00 179.97 178.91 2k2r h VAL 117 N -0.31 1.02 -0.78 2.04 2.07 -1.40 -2.86 116.25 116.03 2k2r h VAL 117 Ca 0.15 -0.73 0.15 0.00 0.82 0.00 0.00 66.70 67.08 2k2r h VAL 117 Cb 0.57 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 31.71 2k2r h VAL 117 CO -0.55 0.17 0.32 -0.07 0.02 0.00 0.00 177.57 177.47 2k2r h LEU 118 N -0.53 0.30 -0.14 2.57 -0.00 -0.78 0.16 115.31 116.89 2k2r h LEU 118 Ca -0.02 0.11 0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2k2r h LEU 118 Cb 0.42 0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.12 2k2r h LEU 118 CO 0.03 0.10 -0.17 0.22 -0.00 0.00 0.00 178.44 178.62 2k2r h TYR 119 N 0.45 -0.43 -0.90 1.13 3.20 -1.00 0.06 116.97 119.48 2k2r h TYR 119 Ca 0.44 0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.58 2k2r h TYR 119 Cb 0.68 0.21 -0.15 0.00 1.54 0.00 0.00 36.73 39.02 2k2r h TYR 119 CO -0.16 -0.24 0.20 -0.97 -1.64 0.00 0.00 178.16 175.35 2k2r h ASN 120 N -0.20 -0.09 0.35 -2.11 -1.24 -0.45 -0.53 115.58 111.31 2k2r h ASN 120 Ca 0.10 0.22 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 2k2r h ASN 120 Cb 0.35 0.31 0.00 0.00 0.73 0.00 0.00 38.32 39.72 2k2r h ASN 120 CO -0.26 -0.22 -0.17 -0.07 -1.29 0.00 0.00 177.43 175.42 2k2r h LEU 121 N 0.15 -0.40 -1.57 0.34 -0.00 -0.54 -2.88 115.31 110.41 2k2r h LEU 121 Ca 0.58 0.01 0.45 0.00 -0.00 0.00 0.00 57.88 58.92 2k2r h LEU 121 Cb 1.20 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.90 2k2r h LEU 121 CO -0.72 -0.08 1.34 0.15 -0.00 0.00 0.00 178.44 179.13 2k2r h PHE 122 N -0.88 0.00 0.09 1.13 3.57 -0.42 1.26 116.94 121.68 2k2r h PHE 122 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k2r h PHE 122 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2k2r h PHE 122 CO 0.03 0.00 -0.04 1.15 -2.23 0.00 0.00 178.31 177.21 2k2r h THR 123 N 0.00 1.14 0.00 4.41 2.02 -1.03 -1.04 112.91 118.41 2k2r h THR 123 Ca 0.74 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2k2r h THR 123 Cb 3.41 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 71.73 2k2r h THR 123 CO -0.01 0.29 0.00 0.11 0.37 0.00 0.00 175.52 176.28 2k2r h LYS 124 N -0.75 0.00 0.00 6.66 1.57 0.17 -3.31 116.57 120.91 2k2r h LYS 124 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k2r h LYS 124 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2k2r h LYS 124 CO 0.02 0.00 -1.35 0.66 -0.57 0.00 0.00 179.45 178.21 2k2r n TYR 125 N -2.66 0.00 -0.48 -1.35 4.02 0.05 -4.48 117.16 112.27 2k2r n TYR 125 Ca 0.04 0.00 0.43 0.00 -0.01 0.00 0.00 57.90 58.36 2k2r n TYR 125 Cb 0.45 -0.23 0.76 0.00 -0.02 0.00 0.00 39.34 40.30 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 -1.27 2.31 114.38 117.14 2k2r h ARG 126 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2k2r h ARG 126 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2k2r h ARG 126 CO 0.00 0.00 -1.05 -0.91 -1.51 0.00 0.00 179.97 176.50 2k2r h ASN 127 N 0.00 0.00 -3.60 -3.80 -0.26 -1.81 -3.45 115.58 102.66 2k2r h ASN 127 Ca 0.72 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.95 2k2r h ASN 127 Cb 3.01 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 40.25 2k2r h ASN 127 CO -0.01 0.23 0.30 -0.69 -1.06 0.00 0.00 177.43 176.20 2k2r s VAL 128 N -3.18 4.37 -2.00 2.81 1.01 0.78 -5.23 120.40 118.97 2k2r s VAL 128 Ca -0.01 1.95 0.10 0.00 0.00 0.00 0.00 61.98 64.03 2k2r s VAL 128 Cb 0.09 -4.26 0.30 0.00 0.00 0.00 0.00 36.38 32.50 2k2r s VAL 128 CO 0.79 0.42 1.07 -0.62 0.00 0.00 0.00 175.10 176.75