#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 3.57 0.25 -1.55 -3.43 -1.26 -5.00 115.29 107.88 2k2r s HIS 2 Ca 0.00 1.72 -0.30 0.00 -0.80 0.00 0.00 55.06 55.68 2k2r s HIS 2 Cb 0.00 -2.90 -0.10 0.00 -1.43 0.00 0.00 32.58 28.16 2k2r s HIS 2 CO 0.00 0.11 1.39 -1.83 -2.00 0.00 0.00 174.74 172.41 2k2r s GLU 3 N -2.40 4.31 0.00 -0.38 -1.05 -1.26 -5.00 118.70 112.92 2k2r s GLU 3 Ca 0.54 2.22 0.00 0.00 -0.15 0.00 0.00 54.97 57.58 2k2r s GLU 3 Cb -0.16 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2k2r s GLU 3 CO 0.20 -0.34 0.00 0.54 0.95 0.00 0.00 175.26 176.61 2k2r n ARG 4 N 2.21 0.00 0.00 -4.83 5.12 -1.26 -5.07 116.66 112.83 2k2r n ARG 4 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2k2r n ARG 4 Cb 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 2k2r n ARG 4 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2k2r n ASP 5 N 0.00 0.00 -0.07 0.55 -0.08 -1.26 -5.05 116.55 110.64 2k2r n ASP 5 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 2k2r n ASP 5 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 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 -0.49 -1.67 0.00 -2.03 -3.38 119.26 112.72 2k2r h ALA 6 Ca 0.00 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 54.56 2k2r h ALA 6 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k2r h ALA 6 CO 0.00 0.42 0.35 0.27 0.00 0.00 0.00 179.25 180.29 2k2r h PHE 7 N -1.00 0.03 0.00 0.00 -0.00 -1.97 -2.85 116.94 111.15 2k2r h PHE 7 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.94 2k2r h PHE 7 Cb 0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.44 2k2r h PHE 7 CO -0.14 0.01 0.00 -0.40 -0.00 0.00 0.00 178.31 177.79 2k2r n ASP 8 N -4.40 0.00 -0.05 -0.68 5.75 -1.26 0.20 116.55 116.10 2k2r n ASP 8 Ca 0.09 0.72 0.01 0.00 -0.01 0.00 0.00 54.79 55.60 2k2r n ASP 8 Cb 0.54 -0.22 0.32 0.00 -1.03 0.00 0.00 41.12 40.73 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 1.17 -0.24 2.12 2.02 -1.78 1.61 112.91 117.81 2k2r h THR 9 Ca 0.00 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2k2r h THR 9 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2k2r h THR 9 CO 0.00 0.20 0.04 -0.07 0.37 0.00 0.00 175.52 176.06 2k2r h LEU 10 N 0.65 0.38 0.00 2.58 3.38 -1.14 0.63 115.31 121.79 2k2r h LEU 10 Ca 0.16 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2k2r h LEU 10 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k2r h LEU 10 CO -0.02 0.54 -0.93 -0.26 0.09 0.00 0.00 178.44 177.87 2k2r h PHE 11 N 0.20 0.00 -0.00 1.13 -1.00 0.26 -1.32 116.94 116.21 2k2r h PHE 11 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 2k2r h PHE 11 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 2k2r h PHE 11 CO 0.02 0.29 -0.60 -0.25 -1.61 0.00 0.00 178.31 176.17 2k2r n ASP 12 N -2.90 0.90 -0.19 2.17 8.00 0.55 -4.36 116.55 120.71 2k2r n ASP 12 Ca -0.03 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2k2r n ASP 12 Cb 0.68 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 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 -1.18 0.00 -2.69 1.24 -0.00 0.22 -4.95 115.22 107.85 2k2r n HIS 13 Ca 0.07 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.19 2k2r n HIS 13 Cb 0.35 -0.01 0.08 0.00 -0.12 0.00 0.00 29.99 30.29 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 -2.52 0.41 1.57 0.00 -0.50 -4.93 120.51 114.55 2k2r n ALA 14 Ca 0.00 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.79 2k2r n ALA 14 Cb 0.57 -2.43 0.48 0.00 0.00 0.00 0.00 19.45 18.08 2k2r n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2r n PRO 15 N 1.12 0.19 -0.05 0.00 -0.05 -1.24 -3.00 135.00 131.98 2k2r n PRO 15 Ca 0.02 0.41 -0.20 0.00 -0.05 0.00 0.00 63.50 63.68 2k2r n PRO 15 Cb 0.70 -1.86 -0.13 0.00 -0.05 0.00 0.00 33.50 32.17 2k2r n PRO 15 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2k2r h ASP 16 N 0.00 0.18 -0.75 3.54 3.32 -1.93 -3.32 116.42 117.46 2k2r h ASP 16 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2k2r h ASP 16 Cb 0.38 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2k2r h ASP 16 CO 0.00 1.47 0.48 0.11 -1.72 0.00 0.00 179.24 179.58 2k2r h LYS 17 N -0.67 1.00 -0.75 3.56 1.57 -1.92 -1.24 116.57 118.12 2k2r h LYS 17 Ca -0.27 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2k2r h LYS 17 Cb 1.47 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 2k2r h LYS 17 CO -0.05 0.67 0.50 -0.07 -0.57 0.00 0.00 179.45 179.94 2k2r h LEU 18 N 1.02 0.40 0.01 2.94 3.38 -1.69 0.69 115.31 122.06 2k2r h LEU 18 Ca 0.27 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2k2r h LEU 18 Cb -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k2r h LEU 18 CO -0.06 0.21 -0.01 -1.13 0.09 0.00 0.00 178.44 177.55 2k2r h ASN 19 N 0.43 -0.02 0.23 -0.43 -0.73 -1.32 -2.16 115.58 111.58 2k2r h ASN 19 Ca 0.37 -0.34 -0.10 0.00 1.87 0.00 0.00 56.30 58.11 2k2r h ASN 19 Cb 0.83 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.41 2k2r h ASN 19 CO -0.12 0.33 -0.38 0.58 -0.37 0.00 0.00 177.43 177.47 2k2r h VAL 20 N -0.36 1.29 -0.75 2.57 2.07 -0.93 -2.77 116.25 117.37 2k2r h VAL 20 Ca -0.00 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2k2r h VAL 20 Cb 0.35 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2k2r h VAL 20 CO 0.00 0.43 0.27 0.58 0.02 0.00 0.00 177.57 178.87 2k2r h VAL 21 N 0.18 1.26 -0.14 2.57 2.07 0.48 -1.64 116.25 121.03 2k2r h VAL 21 Ca 0.02 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2k2r h VAL 21 Cb 0.76 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2k2r h VAL 21 CO 0.06 0.34 0.04 0.50 0.02 0.00 0.00 177.57 178.53 2k2r h LYS 22 N 1.10 0.21 -0.34 1.57 3.64 -1.17 -1.33 116.57 120.25 2k2r h LYS 22 Ca 0.25 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 2k2r h LYS 22 Cb 0.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2k2r h LYS 22 CO -0.02 0.34 0.35 0.87 -2.27 0.00 0.00 179.45 178.72 2k2r h LYS 23 N 0.04 0.00 0.12 1.90 1.57 -1.16 0.34 116.57 119.38 2k2r h LYS 23 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 2k2r h LYS 23 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2k2r h LYS 23 CO -0.00 0.00 -1.43 1.15 -0.57 0.00 0.00 179.45 178.59 2k2r h THR 24 N 0.00 1.27 -0.30 -0.16 2.02 -0.38 -2.84 112.91 112.52 2k2r h THR 24 Ca 0.16 -2.88 -0.03 0.00 0.77 0.00 0.00 66.41 64.43 2k2r h THR 24 Cb 0.86 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 70.08 2k2r h THR 24 CO -0.00 0.84 0.06 -0.07 0.37 0.00 0.00 175.52 176.71 2k2r h LEU 25 N 0.07 0.40 0.62 2.58 3.38 0.07 -1.72 115.31 120.71 2k2r h LEU 25 Ca -0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2k2r h LEU 25 Cb 2.01 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.66 2k2r h LEU 25 CO 0.18 0.42 -0.30 0.40 0.09 0.00 0.00 178.44 179.23 2k2r h ILE 26 N 0.43 0.38 -0.98 1.22 2.04 -1.10 -2.40 117.51 117.10 2k2r h ILE 26 Ca 0.10 -0.04 0.32 0.00 1.00 0.00 0.00 64.86 66.23 2k2r h ILE 26 Cb 0.20 0.40 -0.15 0.00 -0.74 0.00 0.00 36.82 36.52 2k2r h ILE 26 CO -0.00 0.01 0.49 0.74 0.00 0.00 0.00 178.15 179.38 2k2r h THR 27 N -0.86 0.26 0.39 -0.27 2.02 -1.07 0.21 112.91 113.58 2k2r h THR 27 Ca -0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2k2r h THR 27 Cb 0.65 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2k2r h THR 27 CO 0.14 0.05 -0.18 0.15 0.37 0.00 0.00 175.52 176.04 2k2r h PHE 28 N 0.26 -0.48 -0.55 3.16 3.57 -1.05 -0.66 116.94 121.18 2k2r h PHE 28 Ca 0.71 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.14 2k2r h PHE 28 Cb 1.63 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 2k2r h PHE 28 CO -0.07 -0.27 0.10 0.28 -2.23 0.00 0.00 178.31 176.12 2k2r h VAL 29 N -0.56 1.25 0.00 1.41 2.07 -0.94 -1.29 116.25 118.19 2k2r h VAL 29 Ca -0.05 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2k2r h VAL 29 Cb 0.42 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2k2r h VAL 29 CO 0.09 0.34 0.06 -1.13 0.02 0.00 0.00 177.57 176.95 2k2r h ASN 30 N 0.80 0.00 0.03 0.57 -0.73 -0.45 0.27 115.58 116.07 2k2r h ASN 30 Ca 0.17 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 2k2r h ASN 30 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2k2r h ASN 30 CO 0.01 0.00 -0.01 0.50 -0.37 0.00 0.00 177.43 177.55 2k2r h LYS 31 N 0.00 -0.04 0.00 6.67 1.63 0.09 2.25 116.57 127.17 2k2r h LYS 31 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2k2r h LYS 31 Cb 0.12 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2k2r h LYS 31 CO 0.00 0.43 -0.14 0.45 -3.45 0.00 0.00 179.45 176.74 2k2r h HIS 32 N -0.98 0.00 0.10 1.91 3.86 -1.21 -2.40 115.15 116.42 2k2r h HIS 32 Ca -0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.98 2k2r h HIS 32 Cb 0.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 2k2r h HIS 32 CO 0.13 0.14 -1.13 -0.07 0.86 0.00 0.00 177.93 177.86 2k2r h LEU 33 N 0.00 0.32 -1.68 2.43 3.38 -0.49 -3.25 115.31 116.01 2k2r h LEU 33 Ca -0.00 -0.85 0.20 0.00 0.09 0.00 0.00 57.88 57.32 2k2r h LEU 33 Cb 0.44 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2k2r h LEU 33 CO 0.02 1.50 0.74 -1.13 0.09 0.00 0.00 178.44 179.66 2k2r h ASN 34 N -0.46 0.00 0.29 -0.43 -0.73 0.42 0.33 115.58 115.00 2k2r h ASN 34 Ca -0.24 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.91 2k2r h ASN 34 Cb 1.61 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.20 2k2r h ASN 34 CO 0.04 0.00 -0.14 0.11 -0.37 0.00 0.00 177.43 177.07 2k2r h LYS 35 N 0.00 -0.38 0.00 6.67 1.57 -1.49 0.66 116.57 123.60 2k2r h LYS 35 Ca 0.33 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2k2r h LYS 35 Cb 1.81 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.20 2k2r h LYS 35 CO -0.00 -0.23 0.00 -0.11 -0.57 0.00 0.00 179.45 178.53 2k2r n LEU 36 N -5.25 0.00 -3.17 2.94 7.94 0.10 -4.85 117.00 114.71 2k2r n LEU 36 Ca -0.10 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.66 2k2r n LEU 36 Cb 0.19 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.15 2k2r n LEU 36 CO 0.35 0.00 0.04 -0.46 -1.11 0.00 0.00 177.39 176.21 2k2r n ASN 37 N -0.62 -7.02 0.00 1.96 6.94 0.23 -5.04 115.26 111.72 2k2r n ASN 37 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2k2r n ASN 37 Cb 0.02 -4.16 0.00 0.00 -2.36 0.00 0.00 39.78 33.28 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2k2r n LEU 38 N -1.08 0.00 -3.38 -4.53 4.77 -1.16 -4.94 117.00 106.68 2k2r n LEU 38 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 2k2r n LEU 38 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2k2r n LEU 38 CO 0.53 0.00 0.55 -0.70 -1.33 0.00 0.00 177.39 176.44 2k2r s GLU 39 N 1.25 0.32 0.22 3.23 2.12 -1.26 -4.54 118.70 120.03 2k2r s GLU 39 Ca 0.00 0.77 0.06 0.00 0.36 0.00 0.00 54.97 56.15 2k2r s GLU 39 Cb 0.00 0.46 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 2k2r s GLU 39 CO 0.00 -0.15 0.24 0.54 -0.54 0.00 0.00 175.26 175.35 2k2r s VAL 40 N 2.58 4.80 0.00 3.70 0.11 -1.26 -5.02 120.40 125.30 2k2r s VAL 40 Ca -0.01 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 2k2r s VAL 40 Cb -0.08 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 2k2r s VAL 40 CO -0.17 -0.27 0.00 0.41 -3.33 0.00 0.00 175.10 171.74 2k2r n THR 41 N -1.02 0.00 -3.81 5.04 -1.04 -1.26 -4.96 114.28 107.22 2k2r n THR 41 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 2k2r n THR 41 Cb 0.57 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.97 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 -0.22 2.67 0.20 -2.82 2.02 -1.26 -4.91 118.70 114.38 2k2r s GLU 42 Ca 0.00 -3.18 -0.10 0.00 0.02 0.00 0.00 54.97 51.71 2k2r s GLU 42 Cb 0.00 -3.60 0.25 0.00 0.10 0.00 0.00 34.13 30.88 2k2r s GLU 42 CO 0.00 -1.25 1.76 1.25 0.02 0.00 0.00 175.26 177.04 2k2r h LEU 43 N 5.84 0.31 -0.00 1.80 7.12 -1.94 0.03 115.31 128.46 2k2r h LEU 43 Ca 0.11 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.20 2k2r h LEU 43 Cb 0.80 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.91 2k2r h LEU 43 CO 0.76 0.19 -0.39 -0.33 -0.13 0.00 0.00 178.44 178.54 2k2r h GLU 44 N 0.47 -0.47 0.00 1.25 5.08 -1.90 -1.14 114.58 117.87 2k2r h GLU 44 Ca 0.29 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2k2r h GLU 44 Cb 0.31 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k2r h GLU 44 CO -0.26 -0.31 0.00 0.25 -1.00 0.00 0.00 179.01 177.69 2k2r n THR 45 N -4.63 0.03 0.31 1.13 -2.24 -1.07 -2.77 114.28 105.03 2k2r n THR 45 Ca -0.05 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.88 2k2r n THR 45 Cb 0.29 -0.61 0.42 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.34 -1.92 115.11 113.83 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 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2k2r h GLN 46 CO 0.00 0.00 -1.10 1.19 -0.95 0.00 0.00 178.83 177.97 2k2r n PHE 47 N -2.91 0.44 0.36 2.96 3.01 -1.11 -2.81 117.46 117.39 2k2r n PHE 47 Ca 0.03 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2k2r n PHE 47 Cb 0.40 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -1.97 1.75 -0.28 4.37 0.00 -0.72 -1.85 120.51 121.81 2k2r n ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k2r n ALA 48 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.64 0.00 -0.10 0.00 5.68 -1.25 -4.94 116.55 116.57 2k2r n ASP 49 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2k2r n ASP 49 Cb 0.15 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.06 0.20 6.12 0.00 -0.77 -4.73 105.19 106.06 2k2r n GLY 50 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.83 116.25 115.21 2k2r h VAL 51 Ca -0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2k2r h VAL 51 Cb 0.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2k2r h VAL 51 CO 0.02 0.00 0.20 -1.22 0.02 0.00 0.00 177.57 176.59 2k2r n TYR 52 N -4.31 0.49 0.08 1.57 4.02 -1.26 -1.75 117.16 116.00 2k2r n TYR 52 Ca -0.06 0.26 -0.04 0.00 -0.01 0.00 0.00 57.90 58.05 2k2r n TYR 52 Cb 0.18 -0.77 -0.02 0.00 -0.02 0.00 0.00 39.34 38.71 2k2r n TYR 52 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2k2r h LEU 53 N 0.00 -0.24 -1.98 7.72 4.07 -1.77 -2.78 115.31 120.33 2k2r h LEU 53 Ca 0.00 0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.15 2k2r h LEU 53 Cb 0.41 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 2k2r h LEU 53 CO 0.00 0.11 0.50 0.58 -1.08 0.00 0.00 178.44 178.56 2k2r h VAL 54 N -0.85 0.53 0.93 1.22 2.07 -1.11 -0.53 116.25 118.52 2k2r h VAL 54 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2k2r h VAL 54 Cb 0.22 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2k2r h VAL 54 CO 0.05 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.12 2k2r h LEU 55 N 0.00 -1.06 -0.93 2.57 3.38 -1.46 -2.26 115.31 115.55 2k2r h LEU 55 Ca 0.29 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.46 2k2r h LEU 55 Cb 1.29 0.27 -0.17 0.00 0.09 0.00 0.00 40.66 42.15 2k2r h LEU 55 CO -0.00 -0.74 -0.31 0.25 0.09 0.00 0.00 178.44 177.72 2k2r h LEU 56 N -1.28 -1.15 -1.76 1.67 5.85 -0.81 2.08 115.31 119.91 2k2r h LEU 56 Ca -0.13 0.29 0.18 0.00 0.84 0.00 0.00 57.88 59.06 2k2r h LEU 56 Cb 0.96 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 2k2r h LEU 56 CO 0.21 -0.30 0.50 0.24 -0.34 0.00 0.00 178.44 178.75 2k2r h MET 57 N -0.02 0.21 0.08 1.25 2.86 -1.20 -2.02 114.93 116.10 2k2r h MET 57 Ca 0.39 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2k2r h MET 57 Cb 0.64 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k2r h MET 57 CO -0.95 0.14 -0.04 0.78 1.06 0.00 0.00 176.91 177.90 2k2r h GLY 58 N 0.22 -0.11 1.33 8.32 0.00 0.39 -2.70 103.07 110.53 2k2r h GLY 58 Ca 0.36 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2k2r h GLY 58 CO -0.07 -0.04 0.31 1.41 0.00 0.00 0.00 176.54 178.15 2k2r h LEU 59 N -0.98 0.00 0.02 3.11 -0.00 -0.97 0.64 115.31 117.12 2k2r h LEU 59 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k2r h LEU 59 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2k2r h LEU 59 CO 0.02 0.00 -0.01 0.25 -0.00 0.00 0.00 178.44 178.70 2k2r h LEU 60 N 0.00 -0.02 -0.77 1.67 7.12 -1.36 -3.21 115.31 118.73 2k2r h LEU 60 Ca 0.00 -0.73 0.07 0.00 0.13 0.00 0.00 57.88 57.35 2k2r h LEU 60 Cb 0.63 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.70 2k2r h LEU 60 CO 0.00 0.75 0.45 -0.08 -0.13 0.00 0.00 178.44 179.43 2k2r h GLU 61 N -0.82 0.77 0.00 1.25 4.81 0.49 -3.46 114.58 117.61 2k2r h GLU 61 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k2r h GLU 61 Cb 0.75 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k2r h GLU 61 CO 0.00 0.51 0.00 0.41 -0.73 0.00 0.00 179.01 179.20 2k2r n GLY 62 N -1.31 0.69 3.82 1.92 0.00 0.33 -5.11 105.19 105.53 2k2r n GLY 62 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.69 -0.09 0.94 1.61 2.02 -1.23 -5.04 117.35 114.87 2k2r s TYR 63 Ca 0.00 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.20 2k2r s TYR 63 Cb 0.00 0.63 0.16 0.00 -0.40 0.00 0.00 41.96 42.35 2k2r s TYR 63 CO 0.00 -1.22 1.16 -0.59 -1.57 0.00 0.00 175.55 173.33 2k2r s PHE 64 N -3.87 2.23 -0.34 2.71 -0.71 -1.26 -4.22 117.98 112.51 2k2r s PHE 64 Ca 0.13 0.75 0.00 0.00 -1.04 0.00 0.00 56.93 56.77 2k2r s PHE 64 Cb -0.05 -3.49 0.14 0.00 -1.21 0.00 0.00 43.02 38.41 2k2r s PHE 64 CO 0.08 -2.52 0.26 0.08 -1.34 0.00 0.00 175.22 171.78 2k2r s VAL 65 N -3.34 -0.11 1.23 -2.49 1.01 -1.26 -4.95 120.40 110.49 2k2r s VAL 65 Ca 0.66 -1.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2k2r s VAL 65 Cb -0.13 -0.94 0.27 0.00 0.00 0.00 0.00 36.38 35.59 2k2r s VAL 65 CO 0.53 -0.77 0.70 -2.65 0.00 0.00 0.00 175.10 172.91 2k2r n PRO 66 N 4.40 -2.91 0.05 2.72 -0.02 -1.26 -4.91 135.00 133.07 2k2r n PRO 66 Ca 0.08 -0.84 -0.20 0.00 -2.02 0.00 0.00 63.50 60.52 2k2r n PRO 66 Cb 0.41 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.82 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2r h LEU 67 N -2.81 0.70 -1.06 2.45 4.07 -1.99 -3.16 115.31 113.50 2k2r h LEU 67 Ca -0.54 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 56.61 2k2r h LEU 67 Cb 1.30 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2k2r h LEU 67 CO 0.39 1.43 0.00 0.00 -1.08 0.00 0.00 178.44 179.19 2k2r n HIS 68 N -4.01 0.35 0.08 1.13 1.44 -1.26 -3.74 115.22 109.21 2k2r n HIS 68 Ca -0.12 -0.14 -0.10 0.00 -2.01 0.00 0.00 57.72 55.34 2k2r n HIS 68 Cb 0.84 -0.08 -0.01 0.00 0.12 0.00 0.00 29.99 30.85 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k2r h SER 69 N 1.01 0.36 0.00 4.39 0.87 -1.90 -3.45 113.55 114.83 2k2r h SER 69 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2k2r h SER 69 Cb 0.50 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k2r h SER 69 CO 0.05 1.07 0.00 2.22 -0.53 0.00 0.00 176.83 179.64 2k2r n PHE 70 N -3.71 0.00 -0.45 2.24 -1.74 -1.25 -5.04 117.46 107.51 2k2r n PHE 70 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.84 2k2r n PHE 70 Cb 0.79 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.79 2k2r n PHE 70 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2k2r n PHE 71 N 0.00 -2.82 -2.01 2.97 3.01 -1.26 -5.02 117.46 112.33 2k2r n PHE 71 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 2k2r n PHE 71 Cb 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.67 2k2r n PHE 71 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2k2r s LEU 72 N 0.00 2.78 0.16 4.37 1.02 -1.26 -4.76 118.68 120.99 2k2r s LEU 72 Ca 0.00 0.10 -0.30 0.00 0.02 0.00 0.00 54.13 53.94 2k2r s LEU 72 Cb 0.00 -2.08 -0.08 0.00 0.02 0.00 0.00 46.19 44.05 2k2r s LEU 72 CO 0.00 -2.80 1.26 0.28 0.02 0.00 0.00 176.35 175.10 2k2r s THR 73 N -3.87 3.49 0.10 5.49 -1.32 -1.26 -4.91 115.64 113.35 2k2r s THR 73 Ca 0.76 1.19 -0.36 0.00 -1.21 0.00 0.00 61.69 62.07 2k2r s THR 73 Cb -0.03 -3.76 -0.17 0.00 -1.51 0.00 0.00 72.50 67.03 2k2r s THR 73 CO 0.53 0.16 1.19 -2.65 -2.21 0.00 0.00 174.62 171.64 2k2r n PRO 74 N 2.93 0.87 -0.05 7.08 -0.02 -1.26 -4.88 135.00 139.67 2k2r n PRO 74 Ca 0.06 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.77 2k2r n PRO 74 Cb 0.44 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.13 1.79 -0.78 2.55 2.03 -1.26 -5.06 116.55 117.96 2k2r n ASP 75 Ca 0.18 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2k2r n ASP 75 Cb 0.19 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 -3.16 0.50 0.13 1.67 3.41 -1.26 -5.05 113.62 109.86 2k2r n SER 76 Ca -0.18 -0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 57.71 2k2r n SER 76 Cb 0.66 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.37 -0.90 7.33 3.57 -1.99 -3.04 116.94 122.16 2k2r h PHE 77 Ca 0.00 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.73 2k2r h PHE 77 Cb 0.00 0.12 -0.14 0.00 2.79 0.00 0.00 35.95 38.72 2k2r h PHE 77 CO 0.00 -0.06 0.31 1.49 -2.23 0.00 0.00 178.31 177.82 2k2r h GLU 78 N -0.99 0.26 -0.69 1.11 4.81 -1.98 0.60 114.58 117.70 2k2r h GLU 78 Ca -0.04 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2k2r h GLU 78 Cb 0.47 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2k2r h GLU 78 CO 0.07 0.17 0.27 -0.56 -0.73 0.00 0.00 179.01 178.23 2k2r h GLN 79 N 0.27 1.01 0.43 1.92 -0.00 -1.97 -1.47 115.11 115.30 2k2r h GLN 79 Ca 0.58 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 59.04 2k2r h GLN 79 Cb 1.17 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 2k2r h GLN 79 CO -0.62 0.82 -0.21 0.87 -0.00 0.00 0.00 178.83 179.70 2k2r h LYS 80 N 0.99 -0.56 -0.60 0.06 1.57 0.20 -1.32 116.57 116.92 2k2r h LYS 80 Ca 0.23 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.22 2k2r h LYS 80 Cb 0.19 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2k2r h LYS 80 CO -0.02 -0.26 0.63 0.28 -0.57 0.00 0.00 179.45 179.51 2k2r h VAL 81 N -0.83 0.30 0.16 0.50 2.07 -0.61 0.18 116.25 118.02 2k2r h VAL 81 Ca -0.06 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.13 2k2r h VAL 81 Cb 0.55 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k2r h VAL 81 CO 0.10 0.00 -1.61 0.25 0.02 0.00 0.00 177.57 176.33 2k2r h LEU 82 N 0.00 0.53 -1.70 2.57 5.85 -0.78 -0.59 115.31 121.19 2k2r h LEU 82 Ca 0.28 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2k2r h LEU 82 Cb 1.54 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2k2r h LEU 82 CO -0.00 1.61 0.03 -1.13 -0.34 0.00 0.00 178.44 178.60 2k2r h ASN 83 N 0.09 0.19 0.45 1.25 -0.00 0.47 -0.75 115.58 117.29 2k2r h ASN 83 Ca -0.28 -0.02 -0.30 0.00 -0.00 0.00 0.00 56.30 55.70 2k2r h ASN 83 Cb 2.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 40.32 2k2r h ASN 83 CO 0.18 0.21 -1.61 0.58 -0.00 0.00 0.00 177.43 176.79 2k2r h VAL 84 N 0.21 1.03 0.00 2.57 2.07 -1.41 -2.97 116.25 117.75 2k2r h VAL 84 Ca 0.05 -2.75 -0.01 0.00 0.82 0.00 0.00 66.70 64.82 2k2r h VAL 84 Cb 0.11 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2k2r h VAL 84 CO -0.00 0.76 -0.06 -1.28 0.02 0.00 0.00 177.57 177.01 2k2r h SER 85 N 0.05 0.00 0.18 0.57 0.87 -0.53 0.56 113.55 115.24 2k2r h SER 85 Ca -0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2k2r h SER 85 Cb 2.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2k2r h SER 85 CO 0.13 0.06 -0.09 0.15 -0.53 0.00 0.00 176.83 176.55 2k2r h PHE 86 N 0.00 -0.22 -0.32 2.24 3.57 -1.18 -0.47 116.94 120.56 2k2r h PHE 86 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2k2r h PHE 86 Cb 0.13 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2k2r h PHE 86 CO 0.00 0.04 0.23 0.00 -2.23 0.00 0.00 178.31 176.35 2k2r h ALA 87 N -0.79 2.29 0.00 2.41 0.00 -1.34 1.41 119.26 123.25 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 0.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k2r h ALA 87 CO 0.04 -0.38 -0.12 0.35 0.00 0.00 0.00 179.25 179.13 2k2r h PHE 88 N 0.01 0.00 0.10 0.00 3.04 -0.85 -1.42 116.94 117.81 2k2r h PHE 88 Ca 0.15 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.97 2k2r h PHE 88 Cb 0.60 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.13 2k2r h PHE 88 CO -0.00 0.12 -0.59 0.93 -2.02 0.00 0.00 178.31 176.75 2k2r h GLU 89 N 0.00 0.21 0.00 1.11 4.39 0.36 0.15 114.58 120.80 2k2r h GLU 89 Ca -0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2k2r h GLU 89 Cb 0.76 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2k2r h GLU 89 CO 0.02 1.17 0.00 -0.07 -1.16 0.00 0.00 179.01 178.97 2k2r h LEU 90 N -0.56 0.00 0.05 1.33 3.38 -1.22 -2.51 115.31 115.79 2k2r h LEU 90 Ca -0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 2k2r h LEU 90 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2k2r h LEU 90 CO 0.11 0.00 -1.02 0.24 0.09 0.00 0.00 178.44 177.86 2k2r h MET 91 N 0.00 0.10 -0.57 1.13 2.86 -1.23 -0.46 114.93 116.76 2k2r h MET 91 Ca 0.00 -0.18 0.17 0.00 -2.06 0.00 0.00 59.70 57.63 2k2r h MET 91 Cb 0.48 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2k2r h MET 91 CO 0.00 1.08 0.47 0.37 1.06 0.00 0.00 176.91 179.89 2k2r h GLN 92 N -0.71 0.00 0.00 1.72 4.15 -0.81 0.44 115.11 119.90 2k2r h GLN 92 Ca -0.24 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.13 2k2r h GLN 92 Cb 1.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.11 2k2r h GLN 92 CO -0.05 0.00 -0.35 0.22 -1.93 0.00 0.00 178.83 176.73 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 3.58 -1.49 -3.22 116.42 114.60 2k2r h ASP 93 Ca 0.27 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2k2r h ASP 93 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k2r h ASP 93 CO -0.00 0.92 0.01 0.61 -2.88 0.00 0.00 179.24 177.90 2k2r n GLY 94 N 1.62 -0.10 0.00 -0.78 0.00 -0.18 -4.85 105.19 100.90 2k2r n GLY 94 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.06 1.28 4.66 -0.02 0.00 0.14 -4.98 105.19 105.22 2k2r n GLY 95 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.33 0.99 7.94 -1.21 -4.19 117.00 119.20 2k2r n LEU 96 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 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 -0.54 -0.62 -1.11 0.00 0.00 177.39 175.12 2k2r n GLU 97 N -0.24 -2.89 -1.12 1.96 1.02 -1.26 -4.44 120.64 113.67 2k2r n GLU 97 Ca 0.00 2.34 -0.32 0.00 -0.02 0.00 0.00 57.16 59.16 2k2r n GLU 97 Cb 0.00 -3.46 -0.11 0.00 -0.02 0.00 0.00 31.44 27.85 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 -4.17 0.00 -1.20 3.49 2.85 -1.26 -4.87 118.16 113.00 2k2r n LYS 98 Ca -0.08 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.88 2k2r n LYS 98 Cb 0.61 -1.13 0.13 0.00 -0.65 0.00 0.00 35.03 33.99 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 6.63 1.38 -0.13 -1.58 0.04 -1.26 -5.02 135.00 135.06 2k2r s PRO 99 Ca 1.02 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 2k2r s PRO 99 Cb -0.96 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2k2r s PRO 99 CO 0.38 -2.17 -0.17 1.63 0.04 0.00 0.00 177.00 176.70 2k2r n LYS 100 N -3.84 0.28 -0.48 4.56 5.02 -1.26 -5.05 118.16 117.40 2k2r n LYS 100 Ca 0.07 0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 56.44 2k2r n LYS 100 Cb 0.55 -0.98 0.03 0.00 -0.02 0.00 0.00 35.03 34.61 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 -3.64 -0.01 -4.18 1.97 -0.04 -1.26 -5.11 135.00 122.73 2k2r n PRO 101 Ca -0.25 -0.36 -0.18 0.00 -0.04 0.00 0.00 63.50 62.67 2k2r n PRO 101 Cb 0.65 -0.19 -0.12 0.00 -0.04 0.00 0.00 33.50 33.81 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 -3.28 0.85 0.53 0.54 0.52 -1.26 -5.00 118.95 111.85 2k2r s ARG 102 Ca 0.12 -0.99 0.32 0.00 -0.52 0.00 0.00 55.73 54.65 2k2r s ARG 102 Cb -0.00 -0.85 1.08 0.00 0.52 0.00 0.00 34.95 35.70 2k2r s ARG 102 CO 0.08 0.19 1.24 -2.30 0.02 0.00 0.00 175.30 174.53 2k2r n PRO 103 N 1.19 0.01 0.10 3.54 -0.02 -1.26 0.87 135.00 139.43 2k2r n PRO 103 Ca -0.20 0.93 -0.06 0.00 -2.02 0.00 0.00 63.50 62.15 2k2r n PRO 103 Cb 0.54 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.33 -0.73 -0.52 5.08 -1.94 -2.74 114.58 113.39 2k2r h GLU 104 Ca 0.59 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 59.18 2k2r h GLU 104 Cb 2.91 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 32.21 2k2r h GLU 104 CO -0.01 -0.17 1.02 -0.44 -1.00 0.00 0.00 179.01 178.41 2k2r h ASP 105 N -1.07 0.00 0.00 1.42 3.32 0.09 0.47 116.42 120.65 2k2r h ASP 105 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k2r h ASP 105 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2k2r h ASP 105 CO 0.06 0.00 -0.01 0.40 -1.72 0.00 0.00 179.24 177.96 2k2r h ILE 106 N 0.00 0.00 -1.15 0.35 1.08 -1.42 -3.31 117.51 113.05 2k2r h ILE 106 Ca 0.35 -0.09 0.33 0.00 -0.39 0.00 0.00 64.86 65.06 2k2r h ILE 106 Cb 2.39 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.09 2k2r h ILE 106 CO -0.00 0.00 1.03 0.58 -0.69 0.00 0.00 178.15 179.06 2k2r h VAL 107 N -0.09 0.17 0.00 1.67 2.07 -0.91 -0.22 116.25 118.94 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 0.01 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 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 -3.70 0.00 0.00 0.57 2.85 0.15 -4.43 115.26 110.70 2k2r n ASN 108 Ca 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 2k2r n ASN 108 Cb 1.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.41 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 -0.88 5.74 -0.23 0.00 1.47 -1.25 -4.70 116.67 116.82 2k2r s ASP 110 Ca 0.00 1.26 -0.16 0.00 1.18 0.00 0.00 52.55 54.83 2k2r s ASP 110 Cb 0.00 -2.16 -0.11 0.00 -0.34 0.00 0.00 42.92 40.31 2k2r s ASP 110 CO 0.00 -1.16 -0.22 0.18 0.68 0.00 0.00 175.17 174.65 2k2r n LEU 111 N -2.91 1.92 0.00 2.11 4.77 -1.26 -4.28 117.00 117.34 2k2r n LEU 111 Ca 0.07 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2k2r n LEU 111 Cb 0.56 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2k2r n LEU 111 CO 0.58 0.25 0.15 1.17 -1.33 0.00 0.00 177.39 178.20 2k2r n LYS 112 N -4.37 0.00 0.45 3.23 4.81 -1.26 0.00 118.16 121.02 2k2r n LYS 112 Ca -0.37 0.30 -0.19 0.00 -0.87 0.00 0.00 58.31 57.18 2k2r n LYS 112 Cb 0.71 -0.53 -0.09 0.00 0.02 0.00 0.00 35.03 35.13 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 -0.94 -1.14 3.14 4.64 -1.84 -2.73 113.55 114.68 2k2r h SER 113 Ca 0.00 0.03 0.35 0.00 -0.47 0.00 0.00 61.79 61.70 2k2r h SER 113 Cb 0.00 0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 62.21 2k2r h SER 113 CO 0.00 -0.67 0.71 0.74 -0.87 0.00 0.00 176.83 176.75 2k2r h THR 114 N -1.12 0.31 -0.36 2.95 2.02 -1.61 0.78 112.91 115.87 2k2r h THR 114 Ca -0.11 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2k2r h THR 114 Cb 0.85 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2k2r h THR 114 CO 0.19 0.05 0.12 -0.07 0.37 0.00 0.00 175.52 176.17 2k2r h LEU 115 N 0.25 0.52 -0.12 2.58 -0.00 -0.12 -0.74 115.31 117.69 2k2r h LEU 115 Ca 0.72 -0.20 0.04 0.00 -0.00 0.00 0.00 57.88 58.45 2k2r h LEU 115 Cb 1.97 -0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 42.45 2k2r h LEU 115 CO -0.43 0.58 -0.22 0.03 -0.00 0.00 0.00 178.44 178.40 2k2r h ARG 116 N 0.43 -0.28 -0.25 1.13 2.47 0.77 -1.02 114.38 117.62 2k2r h ARG 116 Ca 0.12 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 2k2r h ARG 116 Cb 0.24 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2k2r h ARG 116 CO -0.00 -0.18 -0.17 0.28 0.56 0.00 0.00 179.97 180.46 2k2r h VAL 117 N -0.29 1.31 -0.93 2.04 2.07 -1.38 -2.81 116.25 116.27 2k2r h VAL 117 Ca 0.10 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.41 2k2r h VAL 117 Cb 0.43 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 2k2r h VAL 117 CO -0.28 0.40 0.60 -0.07 0.02 0.00 0.00 177.57 178.24 2k2r h LEU 118 N 0.28 0.90 -0.05 2.57 -0.00 -0.95 0.10 115.31 118.18 2k2r h LEU 118 Ca 0.05 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.98 2k2r h LEU 118 Cb 0.69 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 41.13 2k2r h LEU 118 CO 0.05 0.56 -0.24 0.22 -0.00 0.00 0.00 178.44 179.03 2k2r h TYR 119 N 1.01 -0.63 -1.07 1.13 3.20 -1.01 0.20 116.97 119.80 2k2r h TYR 119 Ca 0.41 0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.63 2k2r h TYR 119 Cb 0.27 0.29 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 2k2r h TYR 119 CO -0.00 -0.32 0.65 -0.97 -1.64 0.00 0.00 178.16 175.88 2k2r h ASN 120 N -0.34 0.47 0.35 -2.11 -0.73 -0.58 -1.55 115.58 111.07 2k2r h ASN 120 Ca 0.08 0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 2k2r h ASN 120 Cb 0.45 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2k2r h ASN 120 CO -0.24 -0.07 -0.17 -0.07 -0.37 0.00 0.00 177.43 176.51 2k2r h LEU 121 N 0.32 -0.39 -1.72 0.34 3.38 0.26 -2.75 115.31 114.75 2k2r h LEU 121 Ca 0.71 -0.02 0.46 0.00 0.09 0.00 0.00 57.88 59.13 2k2r h LEU 121 Cb 1.77 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.55 2k2r h LEU 121 CO -0.49 0.06 1.30 0.15 0.09 0.00 0.00 178.44 179.55 2k2r h PHE 122 N -1.11 0.00 0.01 1.13 3.57 -0.20 1.69 116.94 122.03 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 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2k2r h PHE 122 CO 0.01 0.00 -0.00 1.15 -2.23 0.00 0.00 178.31 177.23 2k2r h THR 123 N 0.00 1.50 0.00 4.41 2.02 -1.24 -0.64 112.91 118.96 2k2r h THR 123 Ca 0.76 -1.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 2k2r h THR 123 Cb 3.34 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 72.30 2k2r h THR 123 CO -0.01 0.40 -0.27 0.11 0.37 0.00 0.00 175.52 176.12 2k2r h LYS 124 N -0.69 0.00 0.00 6.66 1.57 0.27 -3.27 116.57 121.11 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2k2r h LYS 124 CO 0.00 0.27 -1.58 0.66 -0.57 0.00 0.00 179.45 178.23 2k2r n TYR 125 N -3.55 0.00 -0.57 -1.35 4.02 -0.17 -4.48 117.16 111.06 2k2r n TYR 125 Ca -0.01 0.00 0.47 0.00 -0.01 0.00 0.00 57.90 58.35 2k2r n TYR 125 Cb 0.42 -0.31 0.77 0.00 -0.02 0.00 0.00 39.34 40.20 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 -1.16 2.46 114.38 117.39 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 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2k2r h ARG 126 CO 0.00 0.00 -1.10 -0.91 -1.51 0.00 0.00 179.97 176.45 2k2r h ASN 127 N 0.00 0.00 -3.26 -3.80 2.35 -1.79 -3.45 115.58 105.63 2k2r h ASN 127 Ca 0.80 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.98 2k2r h ASN 127 Cb 3.33 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 41.66 2k2r h ASN 127 CO -0.01 0.17 -0.02 -0.69 -1.65 0.00 0.00 177.43 175.23 2k2r s VAL 128 N -3.23 4.72 -2.00 2.81 1.01 0.83 -5.23 120.40 119.31 2k2r s VAL 128 Ca -0.01 1.23 0.12 0.00 0.00 0.00 0.00 61.98 63.32 2k2r s VAL 128 Cb 0.09 -3.90 0.35 0.00 0.00 0.00 0.00 36.38 32.92 2k2r s VAL 128 CO 0.79 0.53 1.16 -0.62 0.00 0.00 0.00 175.10 176.97