#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r n HIS 2 N 0.00 0.91 -4.16 -0.14 8.25 -1.26 -4.86 115.22 113.96 2k2r n HIS 2 Ca 0.00 0.26 -0.10 0.00 -0.26 0.00 0.00 57.72 57.62 2k2r n HIS 2 Cb 0.00 -2.45 -0.10 0.00 1.12 0.00 0.00 29.99 28.56 2k2r n HIS 2 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k2r s GLU 3 N 8.68 0.89 0.01 -0.41 2.12 -1.26 -5.12 118.70 123.61 2k2r s GLU 3 Ca 1.20 -1.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 2k2r s GLU 3 Cb -0.80 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 2k2r s GLU 3 CO 0.39 -0.16 1.14 0.50 -0.54 0.00 0.00 175.26 176.59 2k2r s ARG 4 N -3.96 4.44 0.00 4.30 3.00 -1.26 -4.97 118.95 120.50 2k2r s ARG 4 Ca 0.19 1.65 0.00 0.00 -1.00 0.00 0.00 55.73 56.57 2k2r s ARG 4 Cb 0.07 -3.43 0.00 0.00 0.00 0.00 0.00 34.95 31.59 2k2r s ARG 4 CO -0.01 -0.26 0.00 -3.47 0.00 0.00 0.00 175.30 171.56 2k2r n ASP 5 N 4.27 0.00 -0.08 -2.12 -0.08 -1.26 -5.05 116.55 112.23 2k2r n ASP 5 Ca 0.09 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.23 2k2r n ASP 5 Cb 0.47 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.83 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 0.09 -0.75 -1.67 0.00 -2.02 -3.34 119.26 112.56 2k2r h ALA 6 Ca 0.00 -0.68 0.22 0.00 0.00 0.00 0.00 54.91 54.45 2k2r h ALA 6 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2k2r h ALA 6 CO 0.00 0.27 0.76 0.27 0.00 0.00 0.00 179.25 180.55 2k2r h PHE 7 N -1.00 0.00 0.00 0.00 -0.00 -1.98 -2.80 116.94 111.16 2k2r h PHE 7 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.86 2k2r h PHE 7 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.89 2k2r h PHE 7 CO 0.15 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 178.06 2k2r n ASP 8 N -3.65 0.00 0.09 -0.68 5.75 -1.25 -0.09 116.55 116.72 2k2r n ASP 8 Ca 0.16 0.64 0.04 0.00 -0.01 0.00 0.00 54.79 55.62 2k2r n ASP 8 Cb 1.02 -0.14 0.44 0.00 -1.03 0.00 0.00 41.12 41.41 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 1.12 0.51 2.12 2.02 -1.78 0.90 112.91 117.80 2k2r h THR 9 Ca 0.00 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2k2r h THR 9 Cb 0.00 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2k2r h THR 9 CO 0.00 0.15 -0.25 -0.07 0.37 0.00 0.00 175.52 175.72 2k2r h LEU 10 N 0.33 -0.58 -0.23 2.58 4.07 -1.35 0.70 115.31 120.82 2k2r h LEU 10 Ca 0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 2k2r h LEU 10 Cb 0.15 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2k2r h LEU 10 CO -0.00 -0.27 -0.26 -0.26 -1.08 0.00 0.00 178.44 176.56 2k2r h PHE 11 N -0.90 0.00 -0.00 1.13 0.04 -0.33 0.35 116.94 117.23 2k2r h PHE 11 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k2r h PHE 11 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2k2r h PHE 11 CO -0.00 0.26 -0.65 -0.25 -0.60 0.00 0.00 178.31 177.07 2k2r n ASP 12 N -3.20 0.76 -0.28 2.17 8.00 0.31 -4.47 116.55 119.85 2k2r n ASP 12 Ca 0.02 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.93 2k2r n ASP 12 Cb 0.60 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 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 -1.38 0.00 -2.70 1.24 -0.00 0.24 -4.95 115.22 107.67 2k2r n HIS 13 Ca 0.06 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.18 2k2r n HIS 13 Cb 0.34 0.06 0.08 0.00 -0.12 0.00 0.00 29.99 30.34 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 -2.60 0.42 1.57 0.00 0.12 -4.91 120.51 115.11 2k2r n ALA 14 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 53.44 52.81 2k2r n ALA 14 Cb 0.57 -2.46 0.49 0.00 0.00 0.00 0.00 19.45 18.06 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 3.22 0.00 0.00 0.00 0.14 -1.80 -2.66 132.00 130.90 2k2r h PRO 15 Ca -0.21 0.00 -0.15 0.00 0.14 0.00 0.00 66.00 65.78 2k2r h PRO 15 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.27 2k2r h PRO 15 CO 0.02 0.00 -0.83 0.22 0.14 0.00 0.00 178.00 177.55 2k2r h ASP 16 N 0.00 0.00 0.37 1.44 3.58 -1.93 -3.33 116.42 116.55 2k2r h ASP 16 Ca 0.00 -0.59 -0.04 0.00 0.42 0.00 0.00 57.03 56.81 2k2r h ASP 16 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2k2r h ASP 16 CO 0.00 1.28 -0.21 0.11 -2.88 0.00 0.00 179.24 177.55 2k2r h LYS 17 N -1.00 0.00 -0.80 0.28 1.57 -1.94 -1.11 116.57 113.57 2k2r h LYS 17 Ca -0.22 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2k2r h LYS 17 Cb 1.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 2k2r h LYS 17 CO -0.13 0.21 0.52 -0.07 -0.57 0.00 0.00 179.45 179.40 2k2r h LEU 18 N 0.00 0.69 -0.03 2.94 3.38 -1.60 0.67 115.31 121.36 2k2r h LEU 18 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2k2r h LEU 18 Cb 0.45 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k2r h LEU 18 CO 0.03 0.42 -0.02 -1.13 0.09 0.00 0.00 178.44 177.83 2k2r h ASN 19 N 0.77 0.06 -0.56 -0.43 -0.73 -1.32 -2.55 115.58 110.83 2k2r h ASN 19 Ca 0.36 -0.46 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2k2r h ASN 19 Cb 0.39 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.93 2k2r h ASN 19 CO -0.14 0.50 0.36 0.58 -0.37 0.00 0.00 177.43 178.37 2k2r h VAL 20 N -0.38 1.15 -0.76 2.57 2.07 -0.99 -1.90 116.25 118.00 2k2r h VAL 20 Ca 0.00 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2k2r h VAL 20 Cb 0.48 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2k2r h VAL 20 CO 0.01 0.15 0.29 0.58 0.02 0.00 0.00 177.57 178.61 2k2r h VAL 21 N 0.77 1.26 -0.50 2.57 2.07 0.44 -1.87 116.25 120.99 2k2r h VAL 21 Ca 0.21 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2k2r h VAL 21 Cb -0.07 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2k2r h VAL 21 CO -0.04 0.34 0.12 0.50 0.02 0.00 0.00 177.57 178.50 2k2r h LYS 22 N 1.11 0.80 -0.36 1.57 3.64 -0.95 -2.13 116.57 120.25 2k2r h LYS 22 Ca 0.25 -0.19 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2k2r h LYS 22 Cb 0.24 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2k2r h LYS 22 CO -0.02 0.77 0.28 0.87 -2.27 0.00 0.00 179.45 179.08 2k2r h LYS 23 N 0.69 0.00 0.06 1.90 1.57 -0.65 0.47 116.57 120.61 2k2r h LYS 23 Ca 0.16 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 2k2r h LYS 23 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2k2r h LYS 23 CO 0.00 0.00 -1.08 1.15 -0.57 0.00 0.00 179.45 178.95 2k2r h THR 24 N 0.00 1.56 -0.02 -0.16 2.02 -0.72 -2.52 112.91 113.06 2k2r h THR 24 Ca 0.17 -3.04 -0.08 0.00 0.77 0.00 0.00 66.41 64.23 2k2r h THR 24 Cb 0.72 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 2k2r h THR 24 CO -0.00 0.88 -0.35 -0.07 0.37 0.00 0.00 175.52 176.35 2k2r h LEU 25 N 0.07 0.05 -0.65 2.58 3.38 -0.54 -1.10 115.31 119.09 2k2r h LEU 25 Ca -0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2k2r h LEU 25 Cb 1.80 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2k2r h LEU 25 CO 0.17 0.40 0.13 0.40 0.09 0.00 0.00 178.44 179.63 2k2r h ILE 26 N 0.04 1.26 -0.99 1.22 2.04 -0.75 -2.60 117.51 117.74 2k2r h ILE 26 Ca 0.00 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.90 2k2r h ILE 26 Cb 0.64 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2k2r h ILE 26 CO 0.05 0.37 0.65 0.74 0.00 0.00 0.00 178.15 179.96 2k2r h THR 27 N 0.98 1.23 0.33 -0.27 2.02 -0.78 0.19 112.91 116.60 2k2r h THR 27 Ca 0.20 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2k2r h THR 27 Cb 0.40 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2k2r h THR 27 CO 0.01 0.24 -0.16 0.15 0.37 0.00 0.00 175.52 176.13 2k2r h PHE 28 N 1.31 -0.41 -0.45 3.16 3.57 -1.14 -0.48 116.94 122.49 2k2r h PHE 28 Ca 0.37 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 2k2r h PHE 28 Cb -0.10 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2k2r h PHE 28 CO -0.00 -0.21 0.12 0.28 -2.23 0.00 0.00 178.31 176.27 2k2r h VAL 29 N -0.51 1.23 0.00 1.41 2.07 -1.32 -1.18 116.25 117.95 2k2r h VAL 29 Ca -0.05 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2k2r h VAL 29 Cb 0.39 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k2r h VAL 29 CO 0.07 0.28 0.03 -1.13 0.02 0.00 0.00 177.57 176.85 2k2r h ASN 30 N 0.60 0.00 0.17 0.57 -0.00 -0.46 0.39 115.58 116.84 2k2r h ASN 30 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.44 2k2r h ASN 30 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2k2r h ASN 30 CO -0.00 0.00 -0.08 0.50 -0.00 0.00 0.00 177.43 177.85 2k2r h LYS 31 N 0.00 -0.22 0.00 6.67 1.63 0.20 2.42 116.57 127.27 2k2r h LYS 31 Ca 0.00 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 2k2r h LYS 31 Cb 0.06 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2k2r h LYS 31 CO 0.00 0.16 -0.35 0.45 -3.45 0.00 0.00 179.45 176.26 2k2r h HIS 32 N -0.93 0.00 0.16 1.91 3.86 -1.21 -2.08 115.15 116.86 2k2r h HIS 32 Ca -0.02 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.91 2k2r h HIS 32 Cb 0.48 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.98 2k2r h HIS 32 CO 0.08 0.35 -1.17 -0.07 0.86 0.00 0.00 177.93 177.97 2k2r h LEU 33 N 0.00 0.74 -2.37 2.43 3.38 -0.23 -3.02 115.31 116.24 2k2r h LEU 33 Ca -0.00 -0.89 0.03 0.00 0.09 0.00 0.00 57.88 57.11 2k2r h LEU 33 Cb 0.81 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k2r h LEU 33 CO 0.05 1.56 0.15 -1.13 0.09 0.00 0.00 178.44 179.16 2k2r h ASN 34 N 0.04 0.00 -0.12 -0.43 -0.73 0.46 -2.54 115.58 112.25 2k2r h ASN 34 Ca -0.19 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.00 2k2r h ASN 34 Cb 1.89 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 40.43 2k2r h ASN 34 CO 0.22 0.00 -0.46 0.50 -0.37 0.00 0.00 177.43 177.32 2k2r h LYS 35 N 0.00 -0.47 -0.09 6.67 1.63 -1.25 1.44 116.57 124.50 2k2r h LYS 35 Ca 0.05 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2k2r h LYS 35 Cb 0.35 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2k2r h LYS 35 CO -0.00 -0.31 0.00 -0.11 -3.45 0.00 0.00 179.45 175.58 2k2r n LEU 36 N -4.97 0.09 -2.99 5.20 7.94 -0.99 -4.89 117.00 116.39 2k2r n LEU 36 Ca -0.05 -0.04 -0.09 0.00 -1.11 0.00 0.00 56.01 54.72 2k2r n LEU 36 Cb 0.32 -0.04 0.01 0.00 0.53 0.00 0.00 43.42 44.23 2k2r n LEU 36 CO 0.07 0.02 0.10 -0.46 -1.11 0.00 0.00 177.39 176.01 2k2r n ASN 37 N -0.45 -7.64 0.00 1.96 0.23 0.49 -5.07 115.26 104.79 2k2r n ASN 37 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 2k2r n ASN 37 Cb 0.02 -4.98 0.00 0.00 -2.08 0.00 0.00 39.78 32.75 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -0.76 0.00 -3.26 -4.53 7.99 -1.01 -4.94 117.00 110.48 2k2r n LEU 38 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.09 2k2r n LEU 38 Cb 0.50 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.78 2k2r n LEU 38 CO 0.50 0.00 0.47 -0.70 -1.51 0.00 0.00 177.39 176.15 2k2r s GLU 39 N 2.24 0.34 0.24 3.23 2.12 -1.26 -4.72 118.70 120.87 2k2r s GLU 39 Ca 0.00 0.70 0.08 0.00 0.36 0.00 0.00 54.97 56.12 2k2r s GLU 39 Cb 0.00 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 2k2r s GLU 39 CO 0.00 -0.27 0.03 0.54 -0.54 0.00 0.00 175.26 175.02 2k2r s VAL 40 N 2.77 3.69 0.00 3.70 0.11 -1.26 -5.03 120.40 124.38 2k2r s VAL 40 Ca 0.03 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.40 2k2r s VAL 40 Cb -0.10 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 2k2r s VAL 40 CO -0.16 -0.29 0.00 0.41 -3.33 0.00 0.00 175.10 171.73 2k2r n THR 41 N -0.70 0.00 -3.86 5.04 -1.04 -1.26 -4.99 114.28 107.48 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 0.58 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.96 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N -0.77 2.16 0.23 -2.82 2.02 -1.26 -4.93 118.70 113.34 2k2r s GLU 42 Ca 0.00 -3.01 -0.06 0.00 0.02 0.00 0.00 54.97 51.92 2k2r s GLU 42 Cb 0.00 -3.17 0.33 0.00 0.10 0.00 0.00 34.13 31.40 2k2r s GLU 42 CO 0.00 -1.25 1.82 1.25 0.02 0.00 0.00 175.26 177.10 2k2r h LEU 43 N 5.73 0.70 -0.18 1.80 7.12 -1.94 -0.95 115.31 127.58 2k2r h LEU 43 Ca 0.10 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.17 2k2r h LEU 43 Cb 0.81 -0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 2k2r h LEU 43 CO 0.67 0.43 -0.43 -0.33 -0.13 0.00 0.00 178.44 178.65 2k2r h GLU 44 N 0.83 -0.39 0.00 1.25 5.08 -1.90 0.11 114.58 119.55 2k2r h GLU 44 Ca 0.36 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2k2r h GLU 44 Cb 0.25 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k2r h GLU 44 CO -0.20 -0.26 0.00 -2.37 -1.00 0.00 0.00 179.01 175.17 2k2r n THR 45 N -4.82 0.12 0.29 1.13 5.66 -1.05 -2.56 114.28 113.06 2k2r n THR 45 Ca -0.04 0.03 0.14 0.00 -3.05 0.00 0.00 64.05 61.13 2k2r n THR 45 Cb 0.29 -0.64 0.37 0.00 -1.55 0.00 0.00 70.33 68.80 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2k2r h GLN 46 N 0.00 0.00 0.00 1.09 1.08 0.44 -1.66 115.11 116.05 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 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2k2r h GLN 46 CO 0.00 0.00 -0.60 0.74 -0.95 0.00 0.00 178.83 178.02 2k2r h PHE 47 N 0.00 0.00 0.00 2.96 0.04 -1.42 -2.51 116.94 116.01 2k2r h PHE 47 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k2r h PHE 47 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 2k2r h PHE 47 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2k2r n ALA 48 N -2.12 1.61 -0.30 2.45 0.00 -0.63 -1.92 120.51 119.61 2k2r n ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k2r n ALA 48 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.55 0.00 -0.60 0.00 5.68 -1.23 -4.88 116.55 116.07 2k2r n ASP 49 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 2k2r n ASP 49 Cb 0.11 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.18 0.05 6.12 0.00 -0.81 -4.71 105.19 106.02 2k2r n GLY 50 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.88 116.25 115.16 2k2r h VAL 51 Ca -0.04 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2k2r h VAL 51 Cb 0.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2k2r h VAL 51 CO 0.06 0.00 0.02 -1.22 0.02 0.00 0.00 177.57 176.45 2k2r n TYR 52 N -4.18 0.47 0.13 1.57 4.01 -1.26 -2.22 117.16 115.68 2k2r n TYR 52 Ca -0.00 0.25 -0.07 0.00 -0.16 0.00 0.00 57.90 57.91 2k2r n TYR 52 Cb 0.01 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.14 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 -0.35 -2.13 7.72 5.85 -1.80 -2.81 115.31 121.79 2k2r h LEU 53 Ca 0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2k2r h LEU 53 Cb 0.04 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2k2r h LEU 53 CO 0.00 0.10 0.18 0.58 -0.34 0.00 0.00 178.44 178.96 2k2r h VAL 54 N -1.11 0.67 0.60 1.05 2.07 -1.22 -1.48 116.25 116.84 2k2r h VAL 54 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k2r h VAL 54 Cb 0.33 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2k2r h VAL 54 CO 0.07 0.00 -0.44 -0.07 0.02 0.00 0.00 177.57 177.15 2k2r h LEU 55 N 0.00 -1.14 -0.89 2.57 3.38 -1.46 -1.33 115.31 116.44 2k2r h LEU 55 Ca 0.10 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.38 2k2r h LEU 55 Cb 0.46 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2k2r h LEU 55 CO -0.00 -0.64 0.34 0.17 0.09 0.00 0.00 178.44 178.40 2k2r h LEU 56 N -1.00 0.22 -2.58 1.67 8.10 -1.00 1.97 115.31 122.69 2k2r h LEU 56 Ca -0.07 0.17 -0.00 0.00 0.11 0.00 0.00 57.88 58.09 2k2r h LEU 56 Cb 0.84 0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 41.24 2k2r h LEU 56 CO 0.03 -0.07 -0.01 0.24 -4.11 0.00 0.00 178.44 174.52 2k2r h MET 57 N 0.32 0.00 0.00 0.17 2.86 -1.10 -1.95 114.93 115.23 2k2r h MET 57 Ca 0.56 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.20 2k2r h MET 57 Cb 1.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 2k2r h MET 57 CO -0.58 0.01 -0.04 0.78 1.06 0.00 0.00 176.91 178.14 2k2r h GLY 58 N 0.18 0.00 1.64 8.32 0.00 0.42 -2.72 103.07 110.90 2k2r h GLY 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k2r h GLY 58 CO 0.00 0.00 0.16 1.41 0.00 0.00 0.00 176.54 178.11 2k2r h LEU 59 N -1.00 0.00 0.04 3.11 -0.00 -1.18 0.25 115.31 116.53 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 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2k2r h LEU 59 CO -0.00 0.00 -0.02 0.25 -0.00 0.00 0.00 178.44 178.67 2k2r h LEU 60 N 0.00 -0.05 -2.00 1.67 7.12 -1.35 -3.01 115.31 117.69 2k2r h LEU 60 Ca 0.00 -0.62 0.16 0.00 0.13 0.00 0.00 57.88 57.55 2k2r h LEU 60 Cb 0.32 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 2k2r h LEU 60 CO 0.00 0.65 0.45 -0.33 -0.13 0.00 0.00 178.44 179.07 2k2r h GLU 61 N -0.79 0.00 -0.37 1.25 5.08 -0.20 -3.45 114.58 116.10 2k2r h GLU 61 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k2r h GLU 61 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k2r h GLU 61 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 2k2r n GLY 62 N -1.60 1.03 3.34 -3.84 0.00 -0.73 -5.09 105.19 98.31 2k2r n GLY 62 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2k2r n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k2r s TYR 63 N -2.37 -0.29 1.05 1.61 5.04 -1.23 -5.06 117.35 116.10 2k2r s TYR 63 Ca 0.00 0.12 -0.17 0.00 -2.44 0.00 0.00 57.07 54.58 2k2r s TYR 63 Cb 0.00 0.29 0.12 0.00 0.35 0.00 0.00 41.96 42.72 2k2r s TYR 63 CO 0.00 -0.67 0.06 1.19 -1.34 0.00 0.00 175.55 174.79 2k2r n PHE 64 N 0.07 -1.95 -3.35 4.97 3.01 -1.26 -4.27 117.46 114.68 2k2r n PHE 64 Ca -0.17 0.09 -0.15 0.00 1.01 0.00 0.00 57.45 58.22 2k2r n PHE 64 Cb 0.62 -1.44 -0.07 0.00 -0.01 0.00 0.00 39.48 38.57 2k2r n PHE 64 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k2r s VAL 65 N -2.12 -0.41 -0.06 -4.37 1.01 -1.26 -4.85 120.40 108.33 2k2r s VAL 65 Ca 0.43 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 61.29 2k2r s VAL 65 Cb -0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 2k2r s VAL 65 CO 0.48 -0.51 1.99 -2.65 0.00 0.00 0.00 175.10 174.41 2k2r n PRO 66 N 4.47 2.40 0.22 2.72 -0.02 -1.26 -4.77 135.00 138.76 2k2r n PRO 66 Ca 0.09 0.85 0.06 0.00 -2.02 0.00 0.00 63.50 62.48 2k2r n PRO 66 Cb 0.46 -2.88 0.31 0.00 -0.02 0.00 0.00 33.50 31.37 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 10.80 0.00 0.00 2.45 4.07 -1.97 1.38 115.31 132.05 2k2r h LEU 67 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2k2r h LEU 67 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2k2r h LEU 67 CO 0.95 0.00 -1.29 0.00 -1.08 0.00 0.00 178.44 177.02 2k2r n HIS 68 N -2.20 0.00 -0.29 1.13 1.44 -1.26 -4.35 115.22 109.69 2k2r n HIS 68 Ca -0.01 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.85 2k2r n HIS 68 Cb 0.53 -0.18 0.41 0.00 0.12 0.00 0.00 29.99 30.87 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 0.00 0.61 -0.57 4.39 0.87 0.15 -3.42 113.55 115.58 2k2r h SER 69 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2k2r h SER 69 Cb 0.62 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2k2r h SER 69 CO 0.00 0.26 0.00 2.22 -0.53 0.00 0.00 176.83 178.78 2k2r n PHE 70 N -4.60 0.00 -1.65 2.24 -1.74 -1.25 -5.02 117.46 105.44 2k2r n PHE 70 Ca 0.20 0.00 -0.45 0.00 -0.56 0.00 0.00 57.45 56.64 2k2r n PHE 70 Cb 0.59 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.56 2k2r n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k2r n PHE 71 N 0.00 1.97 0.00 2.97 -0.00 -1.26 -4.92 117.46 116.21 2k2r n PHE 71 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.45 57.96 2k2r n PHE 71 Cb 0.00 -2.41 0.00 0.00 -0.00 0.00 0.00 39.48 37.07 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2k2r n LEU 72 N 1.89 0.07 -3.67 -2.13 4.32 -1.26 -4.73 117.00 111.48 2k2r n LEU 72 Ca 0.11 0.35 -0.08 0.00 -0.02 0.00 0.00 56.01 56.37 2k2r n LEU 72 Cb 0.31 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.02 2k2r n LEU 72 CO 0.62 0.00 0.12 0.28 -1.22 0.00 0.00 177.39 177.20 2k2r s THR 73 N -0.70 -0.34 0.65 -5.08 -1.32 -1.26 -4.86 115.64 102.74 2k2r s THR 73 Ca 0.00 0.09 -0.17 0.00 -1.21 0.00 0.00 61.69 60.40 2k2r s THR 73 Cb 0.00 -0.75 -0.00 0.00 -1.51 0.00 0.00 72.50 70.24 2k2r s THR 73 CO 0.00 0.04 1.24 -2.16 -2.21 0.00 0.00 174.62 171.53 2k2r s PRO 74 N 2.01 2.56 -0.04 7.08 0.04 -1.26 -4.95 135.00 140.45 2k2r s PRO 74 Ca -0.07 1.90 0.01 0.00 0.04 0.00 0.00 61.00 62.88 2k2r s PRO 74 Cb -0.09 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2k2r s PRO 74 CO -0.15 -1.54 -0.02 -3.47 0.04 0.00 0.00 177.00 171.86 2k2r n ASP 75 N -2.05 3.83 -1.82 6.66 -0.08 -1.26 -5.00 116.55 116.83 2k2r n ASP 75 Ca 0.14 -0.02 -0.03 0.00 -1.51 0.00 0.00 54.79 53.37 2k2r n ASP 75 Cb 0.49 0.14 -0.01 0.00 2.34 0.00 0.00 41.12 44.08 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k2r n SER 76 N -2.46 1.05 0.37 1.67 3.41 -1.26 -5.04 113.62 111.36 2k2r n SER 76 Ca -0.07 -1.29 -0.16 0.00 -0.26 0.00 0.00 58.87 57.09 2k2r n SER 76 Cb 0.59 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.59 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 1.09 -0.89 -0.98 7.33 3.57 -1.99 -2.64 116.94 122.43 2k2r h PHE 77 Ca -0.04 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.70 2k2r h PHE 77 Cb 0.16 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 39.06 2k2r h PHE 77 CO 0.00 -0.53 0.53 1.49 -2.23 0.00 0.00 178.31 177.57 2k2r h GLU 78 N -1.18 0.42 -0.31 1.11 4.81 -1.98 0.82 114.58 118.27 2k2r h GLU 78 Ca -0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2k2r h GLU 78 Cb 0.76 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2k2r h GLU 78 CO 0.16 0.28 -0.01 1.96 -0.73 0.00 0.00 179.01 180.68 2k2r h GLN 79 N 0.44 0.48 -0.00 1.92 4.20 -1.93 -1.08 115.11 119.13 2k2r h GLN 79 Ca 0.66 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 59.27 2k2r h GLN 79 Cb 1.36 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2k2r h GLN 79 CO -0.54 0.51 -0.01 0.87 -0.67 0.00 0.00 178.83 179.00 2k2r h LYS 80 N 0.46 0.00 -0.54 1.46 1.57 0.89 -2.44 116.57 117.98 2k2r h LYS 80 Ca 0.10 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.03 2k2r h LYS 80 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2k2r h LYS 80 CO 0.01 0.79 0.57 0.28 -0.57 0.00 0.00 179.45 180.53 2k2r h VAL 81 N -0.79 0.33 0.16 0.50 2.07 -0.58 0.92 116.25 118.88 2k2r h VAL 81 Ca -0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 2k2r h VAL 81 Cb 0.80 0.55 0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2k2r h VAL 81 CO 0.00 0.00 -1.24 0.25 0.02 0.00 0.00 177.57 176.61 2k2r h LEU 82 N 0.00 0.54 -1.83 2.57 5.85 -1.08 -0.73 115.31 120.63 2k2r h LEU 82 Ca 0.26 -0.92 0.05 0.00 0.84 0.00 0.00 57.88 58.11 2k2r h LEU 82 Cb 1.39 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2k2r h LEU 82 CO -0.00 1.57 0.22 -1.13 -0.34 0.00 0.00 178.44 178.76 2k2r h ASN 83 N -0.19 0.19 0.24 1.25 -0.00 -0.36 -0.49 115.58 116.22 2k2r h ASN 83 Ca -0.24 -0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.72 2k2r h ASN 83 Cb 1.84 -0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 40.12 2k2r h ASN 83 CO 0.15 0.13 -1.76 0.58 -0.00 0.00 0.00 177.43 176.53 2k2r h VAL 84 N 0.22 0.92 -0.01 2.57 2.07 -1.33 -2.95 116.25 117.73 2k2r h VAL 84 Ca 0.14 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2k2r h VAL 84 Cb 0.30 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2k2r h VAL 84 CO -0.03 0.85 0.01 0.77 0.02 0.00 0.00 177.57 179.19 2k2r h SER 85 N 0.09 0.00 0.17 0.57 4.64 -0.57 0.59 113.55 119.05 2k2r h SER 85 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 2k2r h SER 85 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 2k2r h SER 85 CO 0.16 0.00 -0.08 0.15 -0.87 0.00 0.00 176.83 176.18 2k2r h PHE 86 N 0.00 -0.22 -0.09 4.77 3.57 -1.14 -0.38 116.94 123.45 2k2r h PHE 86 Ca 0.01 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2k2r h PHE 86 Cb 0.03 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2k2r h PHE 86 CO 0.00 0.01 0.08 0.00 -2.23 0.00 0.00 178.31 176.17 2k2r h ALA 87 N -0.85 1.81 0.00 2.41 0.00 -1.32 1.30 119.26 122.60 2k2r h ALA 87 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k2r h ALA 87 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k2r h ALA 87 CO 0.04 -0.13 -0.08 0.35 0.00 0.00 0.00 179.25 179.43 2k2r h PHE 88 N 0.00 0.00 0.14 0.00 3.04 -0.86 -1.45 116.94 117.81 2k2r h PHE 88 Ca 0.04 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.79 2k2r h PHE 88 Cb 0.21 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.74 2k2r h PHE 88 CO 0.00 0.08 -0.95 0.93 -2.02 0.00 0.00 178.31 176.35 2k2r h GLU 89 N 0.00 0.29 0.00 1.11 4.39 0.34 -0.38 114.58 120.33 2k2r h GLU 89 Ca -0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2k2r h GLU 89 Cb 0.85 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2k2r h GLU 89 CO 0.01 1.24 0.00 -0.07 -1.16 0.00 0.00 179.01 179.03 2k2r h LEU 90 N -0.35 0.00 0.04 1.33 3.38 -1.16 -2.41 115.31 116.13 2k2r h LEU 90 Ca -0.18 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 2k2r h LEU 90 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2k2r h LEU 90 CO 0.13 0.00 -0.85 0.24 0.09 0.00 0.00 178.44 178.06 2k2r h MET 91 N 0.00 0.08 -0.88 1.13 2.86 -1.25 1.08 114.93 117.95 2k2r h MET 91 Ca 0.00 -0.13 0.25 0.00 -2.06 0.00 0.00 59.70 57.76 2k2r h MET 91 Cb 0.49 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2k2r h MET 91 CO 0.00 1.06 0.63 0.37 1.06 0.00 0.00 176.91 180.03 2k2r h GLN 92 N -0.79 0.05 0.00 1.72 5.75 -0.91 0.77 115.11 121.69 2k2r h GLN 92 Ca -0.21 -0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.16 2k2r h GLN 92 Cb 1.33 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.85 2k2r h GLN 92 CO -0.05 0.03 -1.00 -3.47 -2.65 0.00 0.00 178.83 171.69 2k2r n ASP 93 N -4.30 1.85 0.00 -0.69 -0.08 -0.92 -3.93 116.55 108.48 2k2r n ASP 93 Ca 0.18 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 2k2r n ASP 93 Cb 0.92 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2k2r n ASP 93 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2r n GLY 94 N 1.50 0.00 0.00 0.27 0.00 0.37 -4.87 105.19 102.47 2k2r n GLY 94 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 0.59 4.46 -0.02 0.00 0.26 -4.96 105.19 104.60 2k2r n GLY 95 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.21 -3.93 117.00 120.79 2k2r n LEU 96 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k2r n LEU 96 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k2r n LEU 96 CO 0.00 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 2k2r n GLU 97 N -0.44 0.00 -3.69 1.96 1.02 -1.26 -4.28 120.64 113.95 2k2r n GLU 97 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2k2r n GLU 97 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2k2r n GLU 97 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k2r s LYS 98 N 0.00 2.20 0.92 3.49 1.02 -1.26 -5.02 119.74 121.09 2k2r s LYS 98 Ca 0.00 -1.78 -0.11 0.00 0.02 0.00 0.00 55.97 54.09 2k2r s LYS 98 Cb 0.00 -3.72 0.14 0.00 -0.52 0.00 0.00 37.83 33.73 2k2r s LYS 98 CO 0.00 -1.11 1.09 -1.25 -0.92 0.00 0.00 175.35 173.16 2k2r s PRO 99 N 1.23 1.09 0.15 -1.68 0.04 -1.26 -5.02 135.00 129.55 2k2r s PRO 99 Ca 0.07 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2k2r s PRO 99 Cb -0.24 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k2r s PRO 99 CO -0.03 -2.38 0.00 1.63 0.04 0.00 0.00 177.00 176.27 2k2r n LYS 100 N -3.99 0.00 -0.64 4.56 5.02 -1.26 -5.11 118.16 116.75 2k2r n LYS 100 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 2k2r n LYS 100 Cb 0.55 -0.08 0.10 0.00 -0.02 0.00 0.00 35.03 35.58 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 -3.09 -1.25 -4.42 1.97 -0.04 -1.26 -5.07 135.00 121.84 2k2r n PRO 101 Ca 0.00 -0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 62.35 2k2r n PRO 101 Cb 0.04 -0.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.16 1.57 0.60 0.54 0.52 -1.26 -4.98 118.95 111.77 2k2r s ARG 102 Ca 0.32 -1.27 0.29 0.00 -0.52 0.00 0.00 55.73 54.55 2k2r s ARG 102 Cb -0.02 -1.98 1.09 0.00 0.52 0.00 0.00 34.95 34.56 2k2r s ARG 102 CO 0.23 0.47 1.44 -1.35 0.02 0.00 0.00 175.30 176.11 2k2r h PRO 103 N 3.94 0.00 0.15 3.54 0.11 -1.91 0.98 132.00 138.81 2k2r h PRO 103 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2k2r h PRO 103 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k2r h PRO 103 CO 0.42 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.06 2k2r h GLU 104 N 0.00 -0.20 -1.20 1.05 5.08 -1.94 -2.27 114.58 115.10 2k2r h GLU 104 Ca 0.47 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.19 2k2r h GLU 104 Cb 2.66 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.91 2k2r h GLU 104 CO -0.00 0.13 1.21 -0.44 -1.00 0.00 0.00 179.01 178.90 2k2r h ASP 105 N -0.98 0.00 0.00 1.42 3.32 0.61 1.30 116.42 122.09 2k2r h ASP 105 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k2r h ASP 105 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2k2r h ASP 105 CO 0.03 0.00 -0.02 0.40 -1.72 0.00 0.00 179.24 177.93 2k2r h ILE 106 N 0.00 0.00 -1.27 0.35 1.08 -1.40 -3.34 117.51 112.93 2k2r h ILE 106 Ca 0.57 -0.07 0.37 0.00 -0.39 0.00 0.00 64.86 65.34 2k2r h ILE 106 Cb 2.98 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.68 2k2r h ILE 106 CO -0.01 0.00 1.06 0.58 -0.69 0.00 0.00 178.15 179.10 2k2r h VAL 107 N -0.07 0.17 0.00 1.67 2.07 -0.42 0.23 116.25 119.90 2k2r h VAL 107 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k2r h VAL 107 Cb 0.02 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 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 -3.79 0.00 0.00 0.57 2.85 0.43 -4.44 115.26 110.88 2k2r n ASN 108 Ca 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 2k2r n ASN 108 Cb 1.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.48 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r s ASP 110 N -1.42 5.21 -0.24 0.00 1.01 -1.25 -4.70 116.67 115.28 2k2r s ASP 110 Ca 0.00 1.70 -0.16 0.00 0.71 0.00 0.00 52.55 54.80 2k2r s ASP 110 Cb 0.00 -2.51 -0.12 0.00 1.01 0.00 0.00 42.92 41.30 2k2r s ASP 110 CO 0.00 -1.56 -0.22 0.18 0.21 0.00 0.00 175.17 173.78 2k2r n LEU 111 N -3.09 1.92 0.00 1.23 4.32 -1.26 -4.33 117.00 115.80 2k2r n LEU 111 Ca 0.08 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 2k2r n LEU 111 Cb 0.53 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 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 0.36 3.23 4.81 -1.26 -0.23 118.16 120.72 2k2r n LYS 112 Ca -0.40 0.32 -0.17 0.00 -0.87 0.00 0.00 58.31 57.18 2k2r n LYS 112 Cb 0.75 -0.56 -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 -0.76 -1.25 3.14 4.64 -1.85 -2.71 113.55 114.77 2k2r h SER 113 Ca 0.00 0.00 0.44 0.00 -0.47 0.00 0.00 61.79 61.76 2k2r h SER 113 Cb 0.00 0.20 -0.14 0.00 -0.31 0.00 0.00 62.40 62.14 2k2r h SER 113 CO 0.00 -0.49 0.78 0.74 -0.87 0.00 0.00 176.83 176.99 2k2r h THR 114 N -0.97 0.07 -0.17 2.95 2.02 -1.61 1.28 112.91 116.48 2k2r h THR 114 Ca -0.09 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 2k2r h THR 114 Cb 0.71 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2k2r h THR 114 CO 0.15 0.01 -0.13 -0.07 0.37 0.00 0.00 175.52 175.85 2k2r h LEU 115 N 0.06 0.41 -0.69 2.58 3.38 -0.30 -1.02 115.31 119.74 2k2r h LEU 115 Ca 0.84 -0.45 0.13 0.00 0.09 0.00 0.00 57.88 58.49 2k2r h LEU 115 Cb 2.53 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 43.03 2k2r h LEU 115 CO -0.52 0.78 -0.29 -0.09 0.09 0.00 0.00 178.44 178.41 2k2r h ARG 116 N 0.05 -0.09 0.13 1.13 2.43 0.19 -0.05 114.38 118.17 2k2r h ARG 116 Ca 0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2k2r h ARG 116 Cb 0.64 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2k2r h ARG 116 CO 0.03 -0.06 -0.06 0.28 -1.51 0.00 0.00 179.97 178.66 2k2r h VAL 117 N -0.09 1.03 -1.10 0.20 2.07 -1.43 -2.80 116.25 114.14 2k2r h VAL 117 Ca 0.29 -1.11 0.31 0.00 0.82 0.00 0.00 66.70 67.01 2k2r h VAL 117 Cb 0.55 1.68 -0.11 0.00 -1.52 0.00 0.00 31.29 31.89 2k2r h VAL 117 CO -0.74 0.25 0.69 -0.07 0.02 0.00 0.00 177.57 177.72 2k2r h LEU 118 N -0.74 0.42 0.38 2.57 3.38 -0.74 0.59 115.31 121.19 2k2r h LEU 118 Ca -0.02 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2k2r h LEU 118 Cb 0.53 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k2r h LEU 118 CO 0.03 0.00 -0.18 0.22 0.09 0.00 0.00 178.44 178.60 2k2r h TYR 119 N 0.33 -0.47 -1.12 1.13 3.20 -0.96 -0.80 116.97 118.27 2k2r h TYR 119 Ca 0.67 -0.01 0.35 0.00 3.14 0.00 0.00 58.73 62.87 2k2r h TYR 119 Cb 1.75 0.16 -0.13 0.00 1.54 0.00 0.00 36.73 40.05 2k2r h TYR 119 CO -0.00 -0.20 0.69 -0.97 -1.64 0.00 0.00 178.16 176.04 2k2r h ASN 120 N -0.67 0.40 0.19 -2.11 -0.73 0.41 -0.99 115.58 112.08 2k2r h ASN 120 Ca -0.05 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 2k2r h ASN 120 Cb 0.48 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.17 2k2r h ASN 120 CO 0.09 -0.09 -0.09 -0.07 -0.37 0.00 0.00 177.43 176.89 2k2r h LEU 121 N 0.26 -0.22 -1.95 0.34 4.07 -0.56 -2.81 115.31 114.44 2k2r h LEU 121 Ca 0.73 0.01 0.55 0.00 0.08 0.00 0.00 57.88 59.25 2k2r h LEU 121 Cb 1.94 0.06 -0.08 0.00 1.08 0.00 0.00 40.66 43.66 2k2r h LEU 121 CO -0.46 0.09 1.40 0.15 -1.08 0.00 0.00 178.44 178.54 2k2r h PHE 122 N -0.76 0.00 0.10 1.13 3.57 -0.41 1.46 116.94 122.03 2k2r h PHE 122 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k2r h PHE 122 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2k2r h PHE 122 CO 0.02 0.00 -0.05 1.15 -2.23 0.00 0.00 178.31 177.20 2k2r h THR 123 N 0.00 1.13 0.00 4.41 2.02 -1.20 -0.89 112.91 118.38 2k2r h THR 123 Ca 0.91 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2k2r h THR 123 Cb 3.69 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 71.91 2k2r h THR 123 CO -0.01 0.26 -0.02 0.11 0.37 0.00 0.00 175.52 176.23 2k2r h LYS 124 N -0.67 0.00 0.00 6.66 1.57 0.22 -3.30 116.57 121.04 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2k2r h LYS 124 CO 0.02 0.02 -1.21 0.66 -0.57 0.00 0.00 179.45 178.37 2k2r n TYR 125 N -3.11 0.00 -0.46 -1.35 4.02 0.07 -4.46 117.16 111.87 2k2r n TYR 125 Ca 0.03 0.00 0.42 0.00 -0.01 0.00 0.00 57.90 58.34 2k2r n TYR 125 Cb 0.47 -0.18 0.75 0.00 -0.02 0.00 0.00 39.34 40.37 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 -1.24 2.31 114.38 117.16 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 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2k2r h ARG 126 CO 0.00 0.00 -1.08 -0.91 -1.51 0.00 0.00 179.97 176.47 2k2r h ASN 127 N 0.00 0.00 -3.56 -3.80 2.35 -1.81 -3.45 115.58 105.31 2k2r h ASN 127 Ca 0.70 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.93 2k2r h ASN 127 Cb 2.95 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 41.29 2k2r h ASN 127 CO -0.01 0.22 0.27 -0.69 -1.65 0.00 0.00 177.43 175.57 2k2r s VAL 128 N -3.19 4.45 -2.00 2.81 1.01 0.78 -5.23 120.40 119.03 2k2r s VAL 128 Ca -0.01 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.89 2k2r s VAL 128 Cb 0.09 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.35 2k2r s VAL 128 CO 0.79 0.41 0.72 -0.62 0.00 0.00 0.00 175.10 176.40