#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 2.30 -0.04 -1.55 3.76 -1.26 -4.98 115.29 113.53 2k2r s HIS 2 Ca 0.00 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 2k2r s HIS 2 Cb 0.00 -3.98 0.03 0.00 1.11 0.00 0.00 32.58 29.73 2k2r s HIS 2 CO 0.00 -3.99 -0.01 -1.83 -0.85 0.00 0.00 174.74 168.06 2k2r s GLU 3 N 2.88 0.43 -0.16 1.40 -1.05 -1.26 -5.13 118.70 115.81 2k2r s GLU 3 Ca 0.75 0.06 -0.15 0.00 -0.15 0.00 0.00 54.97 55.48 2k2r s GLU 3 Cb -0.39 -0.61 -0.04 0.00 -0.44 0.00 0.00 34.13 32.64 2k2r s GLU 3 CO 0.33 -0.15 0.33 0.50 0.95 0.00 0.00 175.26 177.21 2k2r s ARG 4 N 1.16 4.26 0.00 -4.83 3.00 -1.26 -5.01 118.95 116.27 2k2r s ARG 4 Ca -0.08 0.15 0.00 0.00 -1.00 0.00 0.00 55.73 54.80 2k2r s ARG 4 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 34.95 31.37 2k2r s ARG 4 CO -0.02 0.18 0.00 -3.47 0.00 0.00 0.00 175.30 172.00 2k2r n ASP 5 N 3.73 0.00 -0.06 -2.12 -0.08 -1.26 -5.03 116.55 111.72 2k2r n ASP 5 Ca -0.11 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.12 2k2r n ASP 5 Cb 0.52 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 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 0.03 -0.19 -1.67 0.00 -2.03 -3.33 119.26 113.07 2k2r h ALA 6 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2k2r h ALA 6 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k2r h ALA 6 CO 0.00 0.24 0.66 0.27 0.00 0.00 0.00 179.25 180.42 2k2r h PHE 7 N -1.00 0.00 0.00 0.00 -0.00 -1.98 -2.83 116.94 111.13 2k2r h PHE 7 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.93 2k2r h PHE 7 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.38 2k2r h PHE 7 CO -0.03 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 177.88 2k2r n ASP 8 N -2.94 0.00 0.22 -0.68 5.75 -1.25 -1.18 116.55 116.48 2k2r n ASP 8 Ca 0.03 0.81 0.11 0.00 -0.01 0.00 0.00 54.79 55.74 2k2r n ASP 8 Cb 0.74 -0.31 0.36 0.00 -1.03 0.00 0.00 41.12 40.88 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2k2r h THR 9 N 0.00 0.29 -0.20 2.12 2.02 -1.75 0.36 112.91 115.75 2k2r h THR 9 Ca 0.00 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 2k2r h THR 9 Cb 0.00 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k2r h THR 9 CO 0.00 0.14 -0.19 -0.07 0.37 0.00 0.00 175.52 175.77 2k2r h LEU 10 N 0.00 0.51 0.00 2.58 4.07 -1.45 0.44 115.31 121.47 2k2r h LEU 10 Ca -0.00 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.48 2k2r h LEU 10 Cb 0.86 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2k2r h LEU 10 CO 0.02 0.88 -0.88 -0.26 -1.08 0.00 0.00 178.44 177.12 2k2r h PHE 11 N 0.16 0.00 -0.01 1.13 -1.00 -1.14 -2.20 116.94 113.88 2k2r h PHE 11 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2k2r h PHE 11 Cb 0.73 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.29 2k2r h PHE 11 CO 0.08 0.00 -0.56 -0.25 -1.61 0.00 0.00 178.31 175.97 2k2r n ASP 12 N -2.45 1.40 -0.21 2.17 8.00 0.11 -4.46 116.55 121.12 2k2r n ASP 12 Ca 0.01 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2k2r n ASP 12 Cb 0.51 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 2k2r n ASP 12 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2k2r n HIS 13 N -0.67 0.00 -2.70 1.24 -0.00 0.14 -4.97 115.22 108.26 2k2r n HIS 13 Ca 0.08 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.20 2k2r n HIS 13 Cb 0.39 0.02 0.07 0.00 -0.12 0.00 0.00 29.99 30.36 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 0.00 -2.56 0.29 1.57 0.00 -0.83 -4.96 120.51 114.03 2k2r n ALA 14 Ca 0.00 -0.78 0.18 0.00 0.00 0.00 0.00 53.44 52.84 2k2r n ALA 14 Cb 0.56 -2.42 0.76 0.00 0.00 0.00 0.00 19.45 18.36 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 3.26 0.00 0.11 0.00 0.14 -1.80 -2.54 132.00 131.17 2k2r h PRO 15 Ca -0.21 0.00 -0.30 0.00 0.14 0.00 0.00 66.00 65.63 2k2r h PRO 15 Cb 1.14 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 -1.56 0.22 0.14 0.00 0.00 178.00 176.83 2k2r h ASP 16 N 0.00 0.38 -0.68 1.44 1.82 -1.93 -3.27 116.42 114.19 2k2r h ASP 16 Ca -0.00 -0.85 -0.01 0.00 -0.39 0.00 0.00 57.03 55.78 2k2r h ASP 16 Cb 0.44 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 2k2r h ASP 16 CO 0.00 1.68 0.38 0.50 -1.61 0.00 0.00 179.24 180.19 2k2r h LYS 17 N -0.25 0.96 -0.91 0.28 3.64 -1.90 -1.11 116.57 117.27 2k2r h LYS 17 Ca -0.34 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 58.98 2k2r h LYS 17 Cb 1.81 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 33.38 2k2r h LYS 17 CO 0.05 0.70 0.59 -0.07 -2.27 0.00 0.00 179.45 178.45 2k2r h LEU 18 N 0.96 0.96 -0.39 5.20 3.38 -1.58 0.31 115.31 124.15 2k2r h LEU 18 Ca 0.25 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2k2r h LEU 18 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2k2r h LEU 18 CO -0.04 0.64 0.10 -1.13 0.09 0.00 0.00 178.44 178.11 2k2r h ASN 19 N 1.11 0.07 -0.34 -0.43 -0.73 -1.25 0.13 115.58 114.14 2k2r h ASN 19 Ca 0.37 0.06 -0.12 0.00 1.87 0.00 0.00 56.30 58.48 2k2r h ASN 19 Cb 0.06 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 2k2r h ASN 19 CO -0.14 0.07 -0.24 0.58 -0.37 0.00 0.00 177.43 177.34 2k2r h VAL 20 N 0.24 1.27 -0.33 2.57 2.07 -0.97 -2.60 116.25 118.50 2k2r h VAL 20 Ca 0.18 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 2k2r h VAL 20 Cb 0.20 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2k2r h VAL 20 CO -0.22 0.46 0.02 0.58 0.02 0.00 0.00 177.57 178.43 2k2r h VAL 21 N 0.73 1.18 -0.52 2.57 2.07 0.58 -1.06 116.25 121.80 2k2r h VAL 21 Ca 0.10 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2k2r h VAL 21 Cb 0.77 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2k2r h VAL 21 CO 0.06 0.24 0.13 0.50 0.02 0.00 0.00 177.57 178.52 2k2r h LYS 22 N 0.48 0.83 0.00 1.57 3.64 -0.50 -1.23 116.57 121.35 2k2r h LYS 22 Ca 0.11 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2k2r h LYS 22 Cb 0.28 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2k2r h LYS 22 CO 0.01 0.79 -0.01 0.87 -2.27 0.00 0.00 179.45 178.83 2k2r h LYS 23 N 0.72 0.00 0.02 1.90 1.57 -0.86 0.18 116.57 120.10 2k2r h LYS 23 Ca 0.16 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 2k2r h LYS 23 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2k2r h LYS 23 CO 0.00 0.01 -0.94 1.15 -0.57 0.00 0.00 179.45 179.11 2k2r h THR 24 N 0.00 1.50 -0.00 -0.16 2.02 -0.35 -2.10 112.91 113.81 2k2r h THR 24 Ca -0.00 -2.70 -0.12 0.00 0.77 0.00 0.00 66.41 64.37 2k2r h THR 24 Cb 0.06 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 2k2r h THR 24 CO 0.00 0.79 -0.56 -0.07 0.37 0.00 0.00 175.52 176.05 2k2r h LEU 25 N 0.11 0.01 -1.43 2.58 3.38 -0.59 -1.58 115.31 117.79 2k2r h LEU 25 Ca -0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2k2r h LEU 25 Cb 1.59 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2k2r h LEU 25 CO 0.15 0.57 -0.29 0.40 0.09 0.00 0.00 178.44 179.35 2k2r h ILE 26 N 0.01 1.15 0.06 1.22 2.04 -0.66 -2.68 117.51 118.64 2k2r h ILE 26 Ca -0.01 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2k2r h ILE 26 Cb 0.99 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2k2r h ILE 26 CO 0.07 0.28 -0.03 0.74 0.00 0.00 0.00 178.15 179.22 2k2r h THR 27 N 0.00 1.26 -0.74 -0.27 2.02 -0.63 0.06 112.91 114.61 2k2r h THR 27 Ca -0.00 -1.20 0.09 0.00 0.77 0.00 0.00 66.41 66.07 2k2r h THR 27 Cb 0.53 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 2k2r h THR 27 CO 0.04 0.29 0.49 0.15 0.37 0.00 0.00 175.52 176.86 2k2r h PHE 28 N -0.63 0.70 -0.21 3.16 3.57 -1.40 0.19 116.94 122.32 2k2r h PHE 28 Ca -0.01 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 2k2r h PHE 28 Cb 0.54 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2k2r h PHE 28 CO 0.10 0.34 -0.56 0.28 -2.23 0.00 0.00 178.31 176.24 2k2r h VAL 29 N 0.66 1.31 0.00 1.41 2.07 -1.44 -2.24 116.25 118.03 2k2r h VAL 29 Ca 0.34 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2k2r h VAL 29 Cb 0.44 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2k2r h VAL 29 CO -0.12 0.56 0.00 -1.13 0.02 0.00 0.00 177.57 176.90 2k2r h ASN 30 N 0.50 0.00 0.01 0.57 -0.73 0.14 -1.04 115.58 115.02 2k2r h ASN 30 Ca 0.01 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 2k2r h ASN 30 Cb 1.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 2k2r h ASN 30 CO 0.11 0.00 -0.00 0.11 -0.37 0.00 0.00 177.43 177.28 2k2r h LYS 31 N 0.00 -0.01 -0.05 6.67 1.79 -0.58 2.28 116.57 126.67 2k2r h LYS 31 Ca 0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2k2r h LYS 31 Cb 0.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2k2r h LYS 31 CO 0.00 0.23 0.08 1.12 -1.08 0.00 0.00 179.45 179.80 2k2r h HIS 32 N -1.00 0.00 0.00 -1.35 2.07 -1.38 -1.05 115.15 112.44 2k2r h HIS 32 Ca -0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 2k2r h HIS 32 Cb 0.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 2k2r h HIS 32 CO 0.07 0.00 -0.76 -0.07 -3.07 0.00 0.00 177.93 174.10 2k2r h LEU 33 N 0.00 0.00 -1.95 6.12 3.38 -1.19 -3.31 115.31 118.36 2k2r h LEU 33 Ca 0.02 -0.71 0.47 0.00 0.09 0.00 0.00 57.88 57.76 2k2r h LEU 33 Cb 0.18 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2k2r h LEU 33 CO -0.00 1.30 1.20 -1.13 0.09 0.00 0.00 178.44 179.90 2k2r h ASN 34 N -0.99 0.00 0.51 -0.43 -0.73 0.51 0.11 115.58 114.56 2k2r h ASN 34 Ca -0.21 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.94 2k2r h ASN 34 Cb 1.19 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.76 2k2r h ASN 34 CO -0.12 0.00 -0.45 0.11 -0.37 0.00 0.00 177.43 176.60 2k2r h LYS 35 N 0.00 -0.91 0.00 6.67 1.79 -1.52 0.34 116.57 122.95 2k2r h LYS 35 Ca 0.78 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.31 2k2r h LYS 35 Cb 3.17 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 34.03 2k2r h LYS 35 CO -0.01 -0.60 0.00 -0.11 -1.08 0.00 0.00 179.45 177.65 2k2r n LEU 36 N -5.16 0.00 -3.38 2.94 7.94 0.19 -4.87 117.00 114.65 2k2r n LEU 36 Ca -0.11 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.67 2k2r n LEU 36 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2k2r n LEU 36 CO 0.25 0.00 0.09 -0.46 -1.11 0.00 0.00 177.39 176.16 2k2r n ASN 37 N -0.56 -6.50 0.00 1.96 0.23 0.12 -5.03 115.26 105.48 2k2r n ASN 37 Ca 0.02 -0.49 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 2k2r n ASN 37 Cb 0.01 -3.80 0.00 0.00 -2.08 0.00 0.00 39.78 33.91 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 -2.29 0.00 -3.41 -4.53 7.99 -1.09 -4.93 117.00 108.75 2k2r n LEU 38 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.89 2k2r n LEU 38 Cb 0.58 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.86 2k2r n LEU 38 CO 0.58 0.00 0.54 -0.70 -1.51 0.00 0.00 177.39 176.30 2k2r s GLU 39 N 1.96 0.33 0.37 3.23 2.12 -1.26 -4.58 118.70 120.86 2k2r s GLU 39 Ca 0.00 0.81 -0.01 0.00 0.36 0.00 0.00 54.97 56.13 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 -0.14 0.60 0.54 -0.54 0.00 0.00 175.26 175.72 2k2r s VAL 40 N 2.56 5.05 0.00 3.70 0.11 -1.26 -5.00 120.40 125.56 2k2r s VAL 40 Ca -0.02 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2k2r s VAL 40 Cb -0.07 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2k2r s VAL 40 CO -0.17 -0.59 0.00 0.41 -3.33 0.00 0.00 175.10 171.41 2k2r n THR 41 N -1.78 0.00 -3.80 5.04 -1.04 -1.26 -4.99 114.28 106.45 2k2r n THR 41 Ca -0.03 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 2k2r n THR 41 Cb 0.56 0.00 -0.13 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 -0.70 1.86 0.20 -2.82 2.02 -1.26 -4.94 118.70 113.06 2k2r s GLU 42 Ca 0.00 -2.69 -0.11 0.00 0.02 0.00 0.00 54.97 52.19 2k2r s GLU 42 Cb 0.00 -2.88 0.23 0.00 0.10 0.00 0.00 34.13 31.57 2k2r s GLU 42 CO 0.00 -1.22 1.75 1.25 0.02 0.00 0.00 175.26 177.06 2k2r h LEU 43 N 6.03 0.24 -0.25 1.80 7.12 -1.94 -0.50 115.31 127.80 2k2r h LEU 43 Ca 0.07 0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.17 2k2r h LEU 43 Cb 0.85 0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 2k2r h LEU 43 CO 0.61 0.16 -0.43 -0.33 -0.13 0.00 0.00 178.44 178.32 2k2r h GLU 44 N 0.41 -0.34 0.00 1.25 5.08 -1.89 -0.02 114.58 119.07 2k2r h GLU 44 Ca 0.27 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2k2r h GLU 44 Cb 0.30 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k2r h GLU 44 CO -0.26 -0.23 0.00 0.25 -1.00 0.00 0.00 179.01 177.77 2k2r n THR 45 N -4.77 0.01 0.33 1.13 -2.24 -1.03 -2.96 114.28 104.76 2k2r n THR 45 Ca -0.03 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 2k2r n THR 45 Cb 0.27 -0.57 0.47 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.69 -1.84 115.11 114.26 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 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 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 -2.83 0.18 0.39 2.96 3.01 -1.15 -3.16 117.46 116.86 2k2r n PHE 47 Ca 0.03 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2k2r n PHE 47 Cb 0.37 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.93 1.83 -0.10 4.37 0.00 -0.69 -1.76 120.51 122.24 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 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.72 0.00 0.00 0.00 5.68 -1.26 -4.93 116.55 116.76 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 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.13 6.12 0.00 -0.72 -4.70 105.19 106.02 2k2r n GLY 50 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.71 116.25 115.33 2k2r h VAL 51 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2k2r h VAL 51 Cb 0.27 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2k2r h VAL 51 CO 0.00 0.00 0.16 -1.22 0.02 0.00 0.00 177.57 176.53 2k2r n TYR 52 N -4.59 0.26 -0.06 1.57 4.01 -1.26 -1.00 117.16 116.08 2k2r n TYR 52 Ca -0.03 0.13 -0.12 0.00 -0.16 0.00 0.00 57.90 57.72 2k2r n TYR 52 Cb 0.10 -0.58 -0.11 0.00 -0.31 0.00 0.00 39.34 38.43 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 -0.01 -1.88 7.72 5.85 -1.79 -2.50 115.31 122.71 2k2r h LEU 53 Ca 0.00 -0.83 0.12 0.00 0.84 0.00 0.00 57.88 58.01 2k2r h LEU 53 Cb 0.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2k2r h LEU 53 CO 0.00 0.88 0.33 0.58 -0.34 0.00 0.00 178.44 179.90 2k2r h VAL 54 N -0.96 0.82 -0.38 1.05 2.07 -0.75 0.27 116.25 118.37 2k2r h VAL 54 Ca -0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2k2r h VAL 54 Cb 0.83 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2k2r h VAL 54 CO 0.00 0.02 0.19 -0.07 0.02 0.00 0.00 177.57 177.74 2k2r h LEU 55 N 0.13 0.49 -0.31 2.57 3.38 -1.44 -2.66 115.31 117.46 2k2r h LEU 55 Ca 0.23 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2k2r h LEU 55 Cb 0.73 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 2k2r h LEU 55 CO -0.03 0.47 -0.44 0.25 0.09 0.00 0.00 178.44 178.77 2k2r h LEU 56 N 0.48 -1.45 -0.98 1.67 5.85 -0.00 0.41 115.31 121.29 2k2r h LEU 56 Ca 0.13 0.21 0.31 0.00 0.84 0.00 0.00 57.88 59.37 2k2r h LEU 56 Cb 0.10 0.61 -0.15 0.00 0.37 0.00 0.00 40.66 41.59 2k2r h LEU 56 CO -0.02 -0.40 0.48 0.24 -0.34 0.00 0.00 178.44 178.40 2k2r h MET 57 N -0.40 0.25 0.07 1.25 2.86 -1.23 -0.78 114.93 116.96 2k2r h MET 57 Ca 0.11 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2k2r h MET 57 Cb 0.60 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2k2r h MET 57 CO -0.52 0.17 -0.03 0.78 1.06 0.00 0.00 176.91 178.36 2k2r h GLY 58 N 0.26 -0.10 1.65 8.32 0.00 -0.03 -2.80 103.07 110.36 2k2r h GLY 58 Ca 0.70 0.04 0.00 0.00 0.00 0.00 0.00 47.33 48.07 2k2r h GLY 58 CO -0.65 -0.04 0.14 1.41 0.00 0.00 0.00 176.54 177.41 2k2r h LEU 59 N -1.01 0.00 0.00 3.11 3.38 -0.66 0.31 115.31 120.43 2k2r h LEU 59 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 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 0.02 0.00 -0.09 0.25 0.09 0.00 0.00 178.44 178.70 2k2r h LEU 60 N 0.00 0.00 -2.37 1.67 7.12 -1.20 -3.24 115.31 117.28 2k2r h LEU 60 Ca 0.00 -0.65 -0.01 0.00 0.13 0.00 0.00 57.88 57.35 2k2r h LEU 60 Cb 0.28 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 2k2r h LEU 60 CO 0.00 0.88 -0.03 -0.33 -0.13 0.00 0.00 178.44 178.83 2k2r h GLU 61 N -1.00 0.00 -1.14 1.25 5.08 -0.63 -3.46 114.58 114.68 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 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k2r h GLU 61 CO -0.01 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 2k2r n GLY 62 N -0.84 0.58 3.64 -3.84 0.00 0.86 -5.10 105.19 100.50 2k2r n GLY 62 Ca -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.14 -0.74 -0.42 1.61 2.02 -1.05 -5.01 117.35 111.61 2k2r s TYR 63 Ca 0.00 1.66 -0.28 0.00 -0.37 0.00 0.00 57.07 58.09 2k2r s TYR 63 Cb 0.00 0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.93 2k2r s TYR 63 CO 0.00 -0.36 1.86 0.12 -1.57 0.00 0.00 175.55 175.59 2k2r s PHE 64 N 0.79 1.72 0.21 2.71 5.36 -1.26 -3.99 117.98 123.51 2k2r s PHE 64 Ca -0.03 0.73 -0.31 0.00 -0.96 0.00 0.00 56.93 56.36 2k2r s PHE 64 Cb -0.05 -4.08 -0.11 0.00 -0.34 0.00 0.00 43.02 38.44 2k2r s PHE 64 CO -0.08 -2.73 1.64 0.08 -1.46 0.00 0.00 175.22 172.66 2k2r s VAL 65 N 7.88 2.27 1.36 3.12 1.01 -1.26 -4.97 120.40 129.81 2k2r s VAL 65 Ca 0.77 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 2k2r s VAL 65 Cb -0.19 -3.13 0.33 0.00 0.00 0.00 0.00 36.38 33.39 2k2r s VAL 65 CO 0.29 0.02 0.77 -0.81 0.00 0.00 0.00 175.10 175.37 2k2r n PRO 66 N 3.62 -4.13 0.03 2.72 -0.04 -1.26 -4.91 135.00 131.03 2k2r n PRO 66 Ca 0.14 -1.22 0.12 0.00 -0.04 0.00 0.00 63.50 62.50 2k2r n PRO 66 Cb 0.37 -1.85 0.26 0.00 -0.04 0.00 0.00 33.50 32.23 2k2r n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k2r n LEU 67 N -4.77 0.55 0.02 1.53 4.32 -1.26 -3.87 117.00 113.52 2k2r n LEU 67 Ca 0.11 0.18 -0.01 0.00 -0.02 0.00 0.00 56.01 56.27 2k2r n LEU 67 Cb 0.54 -0.25 -0.09 0.00 -1.62 0.00 0.00 43.42 42.00 2k2r n LEU 67 CO 0.38 0.02 -0.36 1.41 -1.22 0.00 0.00 177.39 177.62 2k2r n HIS 68 N -1.81 0.93 -0.06 -1.77 8.25 -1.26 -3.96 115.22 115.55 2k2r n HIS 68 Ca 0.05 0.31 0.23 0.00 -0.26 0.00 0.00 57.72 58.05 2k2r n HIS 68 Cb 0.39 -1.08 0.70 0.00 1.12 0.00 0.00 29.99 31.11 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k2r h SER 69 N 0.00 0.01 0.00 0.41 0.87 -1.93 -3.40 113.55 109.51 2k2r h SER 69 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2k2r h SER 69 Cb 1.64 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 2k2r h SER 69 CO 0.05 0.01 0.00 0.49 -0.53 0.00 0.00 176.83 176.84 2k2r n PHE 70 N -4.35 -0.45 0.00 2.24 3.01 -1.25 -5.04 117.46 111.61 2k2r n PHE 70 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2k2r n PHE 70 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 2k2r n PHE 70 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2k2r n PHE 71 N -0.45 0.00 -3.49 1.38 3.01 -1.26 -5.14 117.46 111.50 2k2r n PHE 71 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2k2r n PHE 71 Cb 0.00 0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 2k2r n PHE 71 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2k2r s LEU 72 N -3.45 -0.31 -0.15 4.37 0.05 -1.26 -5.09 118.68 112.83 2k2r s LEU 72 Ca 0.00 -0.11 -0.29 0.00 0.05 0.00 0.00 54.13 53.78 2k2r s LEU 72 Cb 0.00 2.41 -0.04 0.00 -2.05 0.00 0.00 46.19 46.51 2k2r s LEU 72 CO 0.00 -0.96 1.70 0.42 -0.55 0.00 0.00 176.35 176.96 2k2r s THR 73 N -3.77 3.57 -0.07 5.48 -4.23 -1.26 -4.90 115.64 110.45 2k2r s THR 73 Ca 0.02 0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 60.88 2k2r s THR 73 Cb -0.00 -3.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.22 2k2r s THR 73 CO -0.12 -0.18 2.05 -2.65 -0.54 0.00 0.00 174.62 173.18 2k2r n PRO 74 N 7.58 2.46 -0.08 3.99 -0.02 -1.26 -4.81 135.00 142.86 2k2r n PRO 74 Ca 0.19 0.84 -0.15 0.00 -2.02 0.00 0.00 63.50 62.37 2k2r n PRO 74 Cb 0.44 -3.02 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 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 8.81 1.56 -2.40 2.55 -0.08 -1.26 -4.94 116.55 120.79 2k2r n ASP 75 Ca 0.24 0.12 -0.05 0.00 -1.51 0.00 0.00 54.79 53.59 2k2r n ASP 75 Cb 0.40 -0.39 -0.01 0.00 2.34 0.00 0.00 41.12 43.46 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 -3.49 1.97 0.34 1.67 3.41 -1.26 -5.02 113.62 111.24 2k2r n SER 76 Ca -0.29 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 56.86 2k2r n SER 76 Cb 0.73 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.91 -0.83 -0.99 7.33 3.57 -1.99 -2.57 116.94 122.37 2k2r h PHE 77 Ca -0.06 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.67 2k2r h PHE 77 Cb 0.19 0.27 -0.13 0.00 2.79 0.00 0.00 35.95 39.07 2k2r h PHE 77 CO 0.00 -0.49 0.57 1.49 -2.23 0.00 0.00 178.31 177.65 2k2r h GLU 78 N -1.17 0.52 -0.32 1.11 4.81 -1.97 0.57 114.58 118.13 2k2r h GLU 78 Ca -0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2k2r h GLU 78 Cb 0.71 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2k2r h GLU 78 CO 0.15 0.35 -0.04 1.96 -0.73 0.00 0.00 179.01 180.69 2k2r h GLN 79 N 0.54 0.50 -0.00 1.92 4.20 -1.93 -1.13 115.11 119.20 2k2r h GLN 79 Ca 0.64 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 59.23 2k2r h GLN 79 Cb 1.24 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2k2r h GLN 79 CO -0.49 0.56 -0.01 0.87 -0.67 0.00 0.00 178.83 179.09 2k2r h LYS 80 N 0.48 0.01 -0.41 1.46 1.57 0.41 -2.50 116.57 117.59 2k2r h LYS 80 Ca 0.10 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2k2r h LYS 80 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2k2r h LYS 80 CO 0.02 0.76 0.50 0.28 -0.57 0.00 0.00 179.45 180.43 2k2r h VAL 81 N -0.74 0.30 0.18 0.50 2.07 -0.55 0.15 116.25 118.16 2k2r h VAL 81 Ca -0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.18 2k2r h VAL 81 Cb 0.76 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2k2r h VAL 81 CO 0.00 0.00 -1.62 0.25 0.02 0.00 0.00 177.57 176.23 2k2r h LEU 82 N 0.00 0.60 -1.85 2.57 5.85 -1.07 -0.69 115.31 120.72 2k2r h LEU 82 Ca 0.19 -0.80 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 2k2r h LEU 82 Cb 1.18 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2k2r h LEU 82 CO -0.00 1.66 0.06 -1.13 -0.34 0.00 0.00 178.44 178.69 2k2r h ASN 83 N 0.10 0.14 0.47 1.25 -0.73 -0.28 -0.63 115.58 115.91 2k2r h ASN 83 Ca -0.29 -0.01 -0.30 0.00 1.87 0.00 0.00 56.30 57.57 2k2r h ASN 83 Cb 2.09 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 40.62 2k2r h ASN 83 CO 0.20 0.12 -1.62 0.58 -0.37 0.00 0.00 177.43 176.33 2k2r h VAL 84 N 0.16 1.00 0.00 2.57 2.07 -1.41 -2.94 116.25 117.71 2k2r h VAL 84 Ca 0.04 -2.75 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 2k2r h VAL 84 Cb 0.01 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2k2r h VAL 84 CO -0.01 0.72 -0.09 -1.28 0.02 0.00 0.00 177.57 176.93 2k2r h SER 85 N 0.03 0.00 0.14 0.57 0.87 -0.41 0.96 113.55 115.71 2k2r h SER 85 Ca -0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2k2r h SER 85 Cb 1.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 2k2r h SER 85 CO 0.11 0.09 -0.07 0.15 -0.53 0.00 0.00 176.83 176.58 2k2r h PHE 86 N 0.00 -0.18 -0.22 2.24 3.57 -1.17 -0.71 116.94 120.48 2k2r h PHE 86 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2k2r h PHE 86 Cb 0.19 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2k2r h PHE 86 CO 0.00 0.15 0.16 0.00 -2.23 0.00 0.00 178.31 176.39 2k2r h ALA 87 N -0.66 2.19 0.00 2.41 0.00 -1.32 1.30 119.26 123.18 2k2r h ALA 87 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k2r h ALA 87 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k2r h ALA 87 CO 0.03 -0.27 -0.14 0.35 0.00 0.00 0.00 179.25 179.22 2k2r h PHE 88 N 0.00 0.00 0.08 0.00 3.04 -0.78 -1.30 116.94 117.99 2k2r h PHE 88 Ca 0.10 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 2k2r h PHE 88 Cb 0.42 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.94 2k2r h PHE 88 CO 0.00 0.14 -0.49 0.93 -2.02 0.00 0.00 178.31 176.86 2k2r h GLU 89 N 0.00 0.19 0.00 1.11 4.39 0.32 0.19 114.58 120.78 2k2r h GLU 89 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2k2r h GLU 89 Cb 0.77 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k2r h GLU 89 CO 0.02 1.14 0.00 -0.07 -1.16 0.00 0.00 179.01 178.94 2k2r h LEU 90 N -0.60 0.00 0.06 1.33 3.38 -1.20 -2.56 115.31 115.71 2k2r h LEU 90 Ca -0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 2k2r h LEU 90 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k2r h LEU 90 CO 0.09 0.00 -1.06 0.24 0.09 0.00 0.00 178.44 177.80 2k2r h MET 91 N 0.00 0.12 -0.82 1.13 2.86 -1.21 0.18 114.93 117.19 2k2r h MET 91 Ca 0.00 -0.20 0.24 0.00 -2.06 0.00 0.00 59.70 57.68 2k2r h MET 91 Cb 0.48 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2k2r h MET 91 CO 0.00 1.10 0.59 0.37 1.06 0.00 0.00 176.91 180.02 2k2r h GLN 92 N -0.67 0.00 0.00 1.72 5.75 -0.81 0.88 115.11 121.99 2k2r h GLN 92 Ca -0.25 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.19 2k2r h GLN 92 Cb 1.46 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.00 2k2r h GLN 92 CO -0.04 0.00 -0.40 0.22 -2.65 0.00 0.00 178.83 175.97 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 3.58 -1.49 -3.22 116.42 114.61 2k2r h ASP 93 Ca 0.39 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2k2r h ASP 93 Cb 1.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.60 2k2r h ASP 93 CO -0.01 1.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.97 2k2r n GLY 94 N 1.60 -0.08 0.00 -0.78 0.00 0.64 -4.87 105.19 101.70 2k2r n GLY 94 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.07 1.38 4.59 -0.02 0.00 0.29 -4.97 105.19 105.39 2k2r n GLY 95 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.50 0.99 7.94 -1.22 -4.15 117.00 119.07 2k2r n LEU 96 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 2k2r n LEU 96 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 2k2r n LEU 96 CO 0.00 0.00 -0.63 -0.62 -1.11 0.00 0.00 177.39 175.03 2k2r n GLU 97 N -0.22 -3.59 -1.00 1.96 1.02 -1.26 -4.50 120.64 113.06 2k2r n GLU 97 Ca 0.00 2.91 -0.26 0.00 -0.02 0.00 0.00 57.16 59.78 2k2r n GLU 97 Cb 0.00 -4.02 -0.10 0.00 -0.02 0.00 0.00 31.44 27.30 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 -4.04 0.00 -1.27 3.49 5.02 -1.26 -4.86 118.16 115.24 2k2r n LYS 98 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.91 2k2r n LYS 98 Cb 0.66 -0.97 0.13 0.00 -0.02 0.00 0.00 35.03 34.83 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 5.88 1.50 -0.08 1.97 0.04 -1.26 -5.02 135.00 138.02 2k2r s PRO 99 Ca 0.90 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 2k2r s PRO 99 Cb -0.82 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 2k2r s PRO 99 CO 0.33 -2.08 -0.10 1.63 0.04 0.00 0.00 177.00 176.82 2k2r n LYS 100 N -3.77 0.17 -1.01 4.56 5.02 -1.26 -5.06 118.16 116.81 2k2r n LYS 100 Ca 0.07 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 2k2r n LYS 100 Cb 0.55 -0.82 0.08 0.00 -0.02 0.00 0.00 35.03 34.83 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 -3.31 -0.40 -4.26 1.97 -0.04 -1.26 -5.11 135.00 122.60 2k2r n PRO 101 Ca -0.16 -1.01 -0.22 0.00 -0.04 0.00 0.00 63.50 62.08 2k2r n PRO 101 Cb 0.62 -0.55 -0.12 0.00 -0.04 0.00 0.00 33.50 33.40 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 -4.17 1.05 0.53 0.54 0.52 -1.26 -4.99 118.95 111.16 2k2r s ARG 102 Ca 0.33 -1.12 0.33 0.00 -0.52 0.00 0.00 55.73 54.76 2k2r s ARG 102 Cb -0.01 -1.22 1.15 0.00 0.52 0.00 0.00 34.95 35.38 2k2r s ARG 102 CO 0.23 0.28 1.27 -2.30 0.02 0.00 0.00 175.30 174.80 2k2r n PRO 103 N 1.09 0.01 0.16 3.54 -0.02 -1.26 0.11 135.00 138.62 2k2r n PRO 103 Ca -0.20 0.94 -0.07 0.00 -2.02 0.00 0.00 63.50 62.16 2k2r n PRO 103 Cb 0.54 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 2k2r n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k2r h GLU 104 N 0.00 -0.46 -0.85 -0.52 5.08 -1.94 -2.26 114.58 113.63 2k2r h GLU 104 Ca 0.62 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 59.26 2k2r h GLU 104 Cb 2.99 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 32.31 2k2r h GLU 104 CO -0.01 -0.31 1.06 -0.44 -1.00 0.00 0.00 179.01 178.32 2k2r h ASP 105 N -1.12 0.00 0.00 1.42 3.32 0.33 0.67 116.42 121.03 2k2r h ASP 105 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2k2r h ASP 105 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2k2r h ASP 105 CO 0.08 0.00 -0.03 0.40 -1.72 0.00 0.00 179.24 177.98 2k2r h ILE 106 N 0.00 0.00 -1.20 0.35 1.08 -1.37 -3.33 117.51 113.05 2k2r h ILE 106 Ca 0.40 -0.12 0.35 0.00 -0.39 0.00 0.00 64.86 65.10 2k2r h ILE 106 Cb 2.52 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.22 2k2r h ILE 106 CO -0.00 0.00 0.97 0.58 -0.69 0.00 0.00 178.15 179.01 2k2r h VAL 107 N -0.12 0.25 0.00 1.67 2.07 -0.56 0.54 116.25 120.10 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 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 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 -3.89 0.00 0.00 0.57 5.15 0.22 -4.47 115.26 112.83 2k2r n ASN 108 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2k2r n ASN 108 Cb 1.35 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.60 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2r s ASP 110 N -1.37 4.63 -0.24 0.00 1.47 -1.26 -4.71 116.67 115.19 2k2r s ASP 110 Ca 0.00 1.80 -0.16 0.00 1.18 0.00 0.00 52.55 55.36 2k2r s ASP 110 Cb 0.00 -2.52 -0.13 0.00 -0.34 0.00 0.00 42.92 39.94 2k2r s ASP 110 CO 0.00 -1.95 -0.18 0.18 0.68 0.00 0.00 175.17 173.89 2k2r n LEU 111 N -3.46 1.92 0.00 2.11 4.32 -1.26 -4.26 117.00 116.37 2k2r n LEU 111 Ca 0.09 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 2k2r n LEU 111 Cb 0.53 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 2k2r n LEU 111 CO 0.54 0.31 0.16 1.17 -1.22 0.00 0.00 177.39 178.35 2k2r n LYS 112 N -4.35 0.00 0.47 3.23 4.81 -1.26 0.10 118.16 121.16 2k2r n LYS 112 Ca -0.40 0.32 -0.20 0.00 -0.87 0.00 0.00 58.31 57.16 2k2r n LYS 112 Cb 0.74 -0.56 -0.10 0.00 0.02 0.00 0.00 35.03 35.14 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 -1.01 -1.15 3.14 4.64 -1.84 -2.74 113.55 114.60 2k2r h SER 113 Ca 0.00 0.03 0.35 0.00 -0.47 0.00 0.00 61.79 61.71 2k2r h SER 113 Cb 0.00 0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.23 2k2r h SER 113 CO 0.00 -0.71 0.72 0.74 -0.87 0.00 0.00 176.83 176.71 2k2r h THR 114 N -1.20 0.30 -0.31 2.95 2.02 -1.61 0.62 112.91 115.67 2k2r h THR 114 Ca -0.12 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2k2r h THR 114 Cb 0.91 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2k2r h THR 114 CO 0.20 0.04 0.04 -0.07 0.37 0.00 0.00 175.52 176.11 2k2r h LEU 115 N 0.24 0.51 -0.31 2.58 -0.00 -0.05 -0.76 115.31 117.53 2k2r h LEU 115 Ca 0.72 -0.27 0.05 0.00 -0.00 0.00 0.00 57.88 58.38 2k2r h LEU 115 Cb 2.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 42.49 2k2r h LEU 115 CO -0.42 0.65 0.04 -0.09 -0.00 0.00 0.00 178.44 178.61 2k2r h ARG 116 N 0.34 0.13 -0.13 1.13 1.12 0.48 -0.50 114.38 116.95 2k2r h ARG 116 Ca 0.09 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.80 2k2r h ARG 116 Cb 0.36 -0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2k2r h ARG 116 CO 0.01 0.09 -0.54 0.28 -3.11 0.00 0.00 179.97 176.70 2k2r h VAL 117 N 0.14 1.34 -0.85 0.20 2.07 -1.42 -2.73 116.25 115.00 2k2r h VAL 117 Ca 0.14 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.86 2k2r h VAL 117 Cb 0.17 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2k2r h VAL 117 CO -0.21 0.56 0.57 -0.07 0.02 0.00 0.00 177.57 178.43 2k2r h LEU 118 N 0.25 0.97 0.15 2.57 -0.00 -0.99 -1.14 115.31 117.13 2k2r h LEU 118 Ca -0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2k2r h LEU 118 Cb 1.17 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.57 2k2r h LEU 118 CO 0.11 0.70 -0.21 0.22 -0.00 0.00 0.00 178.44 179.26 2k2r h TYR 119 N 1.15 -0.56 -1.16 1.13 3.20 -1.03 0.61 116.97 120.30 2k2r h TYR 119 Ca 0.32 0.01 0.36 0.00 3.14 0.00 0.00 58.73 62.55 2k2r h TYR 119 Cb -0.12 0.23 -0.12 0.00 1.54 0.00 0.00 36.73 38.26 2k2r h TYR 119 CO -0.00 -0.31 0.73 -0.97 -1.64 0.00 0.00 178.16 175.97 2k2r h ASN 120 N -0.43 0.36 0.17 -2.11 -0.73 -0.92 -1.01 115.58 110.92 2k2r h ASN 120 Ca 0.02 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 2k2r h ASN 120 Cb 0.43 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.11 2k2r h ASN 120 CO -0.09 -0.09 -0.08 -0.07 -0.37 0.00 0.00 177.43 176.73 2k2r h LEU 121 N 0.23 -0.20 -1.94 0.34 4.07 -0.17 -2.82 115.31 114.82 2k2r h LEU 121 Ca 0.73 0.01 0.57 0.00 0.08 0.00 0.00 57.88 59.26 2k2r h LEU 121 Cb 2.04 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 43.75 2k2r h LEU 121 CO -0.42 0.11 1.39 0.33 -1.08 0.00 0.00 178.44 178.77 2k2r n PHE 122 N -4.00 0.03 0.01 1.13 7.35 -0.31 0.19 117.46 121.86 2k2r n PHE 122 Ca -0.03 0.03 -0.12 0.00 -0.76 0.00 0.00 57.45 56.56 2k2r n PHE 122 Cb 0.09 -0.51 -0.09 0.00 0.35 0.00 0.00 39.48 39.31 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 1.23 0.00 -2.13 2.02 -1.22 -0.98 112.91 111.83 2k2r h THR 123 Ca 0.93 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2k2r h THR 123 Cb 3.71 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 72.14 2k2r h THR 123 CO -0.03 0.30 -0.09 0.11 0.37 0.00 0.00 175.52 176.19 2k2r h LYS 124 N -0.68 0.00 0.00 6.66 1.57 0.24 -3.30 116.57 121.07 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 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2k2r h LYS 124 CO 0.02 0.09 -1.42 0.66 -0.57 0.00 0.00 179.45 178.22 2k2r n TYR 125 N -3.16 0.00 -0.54 -1.35 4.02 0.04 -4.47 117.16 111.71 2k2r n TYR 125 Ca 0.02 0.00 0.45 0.00 -0.01 0.00 0.00 57.90 58.36 2k2r n TYR 125 Cb 0.46 -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 2.20 114.38 117.05 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 0.61 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2k2r h ARG 126 CO 0.00 0.00 -0.89 -0.91 -1.51 0.00 0.00 179.97 176.66 2k2r h ASN 127 N 0.01 0.00 -2.86 -3.80 2.35 -1.80 -3.45 115.58 106.02 2k2r h ASN 127 Ca 0.78 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.86 2k2r h ASN 127 Cb 3.10 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 41.38 2k2r h ASN 127 CO -0.02 0.17 -0.52 -0.69 -1.65 0.00 0.00 177.43 174.71 2k2r s VAL 128 N -3.21 5.16 -2.00 2.81 1.01 0.74 -5.23 120.40 119.69 2k2r s VAL 128 Ca 0.01 -0.04 0.17 0.00 0.00 0.00 0.00 61.98 62.12 2k2r s VAL 128 Cb 0.08 -3.29 0.50 0.00 0.00 0.00 0.00 36.38 33.68 2k2r s VAL 128 CO 0.77 0.52 1.44 -0.62 0.00 0.00 0.00 175.10 177.22