#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 1.51 0.00 -1.55 -3.43 -1.26 -4.95 115.29 105.62 2k2r s HIS 2 Ca 0.00 0.58 0.01 0.00 -0.80 0.00 0.00 55.06 54.85 2k2r s HIS 2 Cb 0.00 -4.04 -0.00 0.00 -1.43 0.00 0.00 32.58 27.11 2k2r s HIS 2 CO 0.00 -3.48 -0.02 -2.00 -2.00 0.00 0.00 174.74 167.24 2k2r s GLU 3 N 5.96 0.18 0.28 -0.38 2.12 -1.26 -5.13 118.70 120.48 2k2r s GLU 3 Ca 0.89 -0.11 -0.29 0.00 0.36 0.00 0.00 54.97 55.82 2k2r s GLU 3 Cb -0.27 -0.15 -0.10 0.00 0.26 0.00 0.00 34.13 33.86 2k2r s GLU 3 CO 0.34 0.04 1.36 0.50 -0.54 0.00 0.00 175.26 176.96 2k2r s ARG 4 N -0.15 4.33 0.00 4.30 3.00 -1.26 -4.98 118.95 124.18 2k2r s ARG 4 Ca -0.00 2.22 0.00 0.00 -1.00 0.00 0.00 55.73 56.95 2k2r s ARG 4 Cb -0.01 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.83 2k2r s ARG 4 CO -0.00 -0.29 0.00 -3.47 0.00 0.00 0.00 175.30 171.54 2k2r n ASP 5 N 1.70 0.00 0.07 -2.12 2.03 -1.26 -5.06 116.55 111.91 2k2r n ASP 5 Ca 0.04 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.12 2k2r n ASP 5 Cb 0.41 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.67 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k2r h ALA 6 N 1.00 0.01 -1.10 -1.67 0.00 -2.00 -3.34 119.26 112.15 2k2r h ALA 6 Ca 0.00 -0.93 0.38 0.00 0.00 0.00 0.00 54.91 54.36 2k2r h ALA 6 Cb 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 2k2r h ALA 6 CO 0.00 0.70 0.65 0.27 0.00 0.00 0.00 179.25 180.87 2k2r h PHE 7 N -0.14 0.76 0.00 0.00 -5.15 -1.97 -2.69 116.94 107.75 2k2r h PHE 7 Ca -0.25 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.55 2k2r h PHE 7 Cb 1.89 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 37.87 2k2r h PHE 7 CO 0.14 -0.26 0.00 -3.47 -2.00 0.00 0.00 178.31 172.72 2k2r n ASP 8 N -4.98 0.00 -0.27 -0.68 2.03 -1.25 0.87 116.55 112.26 2k2r n ASP 8 Ca 0.35 0.83 -0.05 0.00 0.52 0.00 0.00 54.79 56.44 2k2r n ASP 8 Cb 1.21 -0.33 0.06 0.00 -0.72 0.00 0.00 41.12 41.33 2k2r n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k2r h THR 9 N 0.00 1.23 0.14 5.18 1.03 -1.74 1.28 112.91 120.03 2k2r h THR 9 Ca 0.00 -0.58 0.01 0.00 -0.01 0.00 0.00 66.41 65.83 2k2r h THR 9 Cb 0.00 0.27 -0.02 0.00 -1.07 0.00 0.00 68.15 67.32 2k2r h THR 9 CO 0.00 0.25 -0.21 -0.07 -0.01 0.00 0.00 175.52 175.49 2k2r h LEU 10 N 1.02 -0.57 0.00 0.00 3.38 -1.17 0.14 115.31 118.10 2k2r h LEU 10 Ca 0.26 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 2k2r h LEU 10 Cb 0.05 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2k2r h LEU 10 CO -0.04 -0.30 -1.14 -0.26 0.09 0.00 0.00 178.44 176.79 2k2r h PHE 11 N -0.41 0.00 0.00 1.13 0.04 0.65 0.47 116.94 118.81 2k2r h PHE 11 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2k2r h PHE 11 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2k2r h PHE 11 CO -0.18 0.85 0.00 -0.44 -0.60 0.00 0.00 178.31 177.94 2k2r h ASP 12 N 0.00 0.00 0.00 2.17 5.19 0.18 -3.38 116.42 120.57 2k2r h ASP 12 Ca -0.10 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.24 2k2r h ASP 12 Cb 1.73 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 41.15 2k2r h ASP 12 CO 0.09 0.00 -0.31 1.57 -3.12 0.00 0.00 179.24 177.47 2k2r n HIS 13 N -2.88 0.00 -2.78 4.55 -0.00 0.47 -5.00 115.22 109.58 2k2r n HIS 13 Ca 0.04 -0.23 -0.10 0.00 0.46 0.00 0.00 57.72 57.89 2k2r n HIS 13 Cb 0.48 0.23 0.07 0.00 -0.12 0.00 0.00 29.99 30.65 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 0.07 -0.64 0.24 1.57 0.00 0.16 -4.91 120.51 117.00 2k2r n ALA 14 Ca -0.08 -1.65 0.12 0.00 0.00 0.00 0.00 53.44 51.83 2k2r n ALA 14 Cb 0.68 -1.18 0.55 0.00 0.00 0.00 0.00 19.45 19.50 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 3.27 0.00 0.08 0.00 0.14 -1.81 -2.17 132.00 131.50 2k2r h PRO 15 Ca -0.09 0.00 -0.28 0.00 0.14 0.00 0.00 66.00 65.77 2k2r h PRO 15 Cb 1.07 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.19 2k2r h PRO 15 CO 0.22 0.17 -1.49 -0.44 0.14 0.00 0.00 178.00 176.59 2k2r h ASP 16 N 0.00 0.26 -0.02 1.44 5.19 -1.91 -3.36 116.42 118.01 2k2r h ASP 16 Ca -0.00 -0.77 -0.05 0.00 -0.62 0.00 0.00 57.03 55.59 2k2r h ASP 16 Cb 0.64 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2k2r h ASP 16 CO 0.02 1.63 -0.10 0.11 -3.12 0.00 0.00 179.24 177.78 2k2r h LYS 17 N -0.44 0.27 -0.97 3.56 1.57 -1.91 -1.27 116.57 117.38 2k2r h LYS 17 Ca -0.35 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2k2r h LYS 17 Cb 1.67 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.85 2k2r h LYS 17 CO -0.02 0.39 0.61 -0.07 -0.57 0.00 0.00 179.45 179.78 2k2r h LEU 18 N 0.26 0.75 0.03 2.94 3.38 -1.53 1.14 115.31 122.28 2k2r h LEU 18 Ca 0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k2r h LEU 18 Cb 0.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k2r h LEU 18 CO 0.02 0.33 -0.02 -1.13 0.09 0.00 0.00 178.44 177.73 2k2r h ASN 19 N 0.77 -0.04 -0.28 -0.43 -1.24 -1.38 -2.45 115.58 110.53 2k2r h ASN 19 Ca 0.52 -0.47 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 2k2r h ASN 19 Cb 0.79 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.83 2k2r h ASN 19 CO -0.29 0.46 0.03 0.58 -1.29 0.00 0.00 177.43 176.92 2k2r h VAL 20 N -0.55 1.20 -0.44 2.57 2.07 -0.97 -2.15 116.25 117.99 2k2r h VAL 20 Ca -0.00 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2k2r h VAL 20 Cb 0.50 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2k2r h VAL 20 CO 0.01 0.27 0.03 0.58 0.02 0.00 0.00 177.57 178.48 2k2r h VAL 21 N 0.55 1.22 -0.62 2.57 2.07 0.13 -1.39 116.25 120.78 2k2r h VAL 21 Ca 0.12 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2k2r h VAL 21 Cb 0.31 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2k2r h VAL 21 CO 0.01 0.31 0.28 0.50 0.02 0.00 0.00 177.57 178.69 2k2r h LYS 22 N 0.66 0.91 0.00 1.57 3.64 -0.90 -1.37 116.57 121.08 2k2r h LYS 22 Ca 0.14 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k2r h LYS 22 Cb 0.36 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2k2r h LYS 22 CO 0.01 0.74 -0.01 0.87 -2.27 0.00 0.00 179.45 178.80 2k2r h LYS 23 N 0.86 0.00 0.00 1.90 1.57 -0.93 -0.01 116.57 119.95 2k2r h LYS 23 Ca 0.21 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 2k2r h LYS 23 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2k2r h LYS 23 CO -0.02 0.01 -0.78 1.15 -0.57 0.00 0.00 179.45 179.24 2k2r h THR 24 N 0.00 1.55 0.00 -0.16 2.02 -0.55 -2.31 112.91 113.46 2k2r h THR 24 Ca -0.00 -2.68 -0.13 0.00 0.77 0.00 0.00 66.41 64.37 2k2r h THR 24 Cb 0.02 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2k2r h THR 24 CO 0.00 0.76 -0.64 -0.07 0.37 0.00 0.00 175.52 175.95 2k2r h LEU 25 N 0.00 0.00 -1.21 2.58 3.38 -0.64 -2.32 115.31 117.10 2k2r h LEU 25 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2k2r h LEU 25 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k2r h LEU 25 CO 0.10 0.64 -0.10 0.40 0.09 0.00 0.00 178.44 179.56 2k2r h ILE 26 N 0.00 1.21 -0.03 1.22 2.04 -0.62 -2.74 117.51 118.58 2k2r h ILE 26 Ca -0.01 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2k2r h ILE 26 Cb 1.19 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2k2r h ILE 26 CO 0.08 0.29 -0.01 0.74 0.00 0.00 0.00 178.15 179.26 2k2r h THR 27 N 0.39 1.30 -0.72 -0.27 2.02 -0.94 0.29 112.91 114.98 2k2r h THR 27 Ca 0.08 -0.92 0.11 0.00 0.77 0.00 0.00 66.41 66.45 2k2r h THR 27 Cb 0.43 1.85 -0.08 0.00 -1.74 0.00 0.00 68.15 68.61 2k2r h THR 27 CO 0.02 0.25 0.34 0.15 0.37 0.00 0.00 175.52 176.64 2k2r h PHE 28 N -0.30 0.59 -0.46 3.16 3.57 -1.30 0.63 116.94 122.84 2k2r h PHE 28 Ca 0.01 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 2k2r h PHE 28 Cb 0.40 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2k2r h PHE 28 CO 0.06 0.17 -0.22 0.28 -2.23 0.00 0.00 178.31 176.37 2k2r h VAL 29 N 0.55 1.27 0.00 1.41 2.07 -1.42 -1.51 116.25 118.62 2k2r h VAL 29 Ca 0.37 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2k2r h VAL 29 Cb 0.45 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k2r h VAL 29 CO -0.31 0.47 0.12 -1.13 0.02 0.00 0.00 177.57 176.74 2k2r h ASN 30 N 0.80 0.00 0.00 0.57 -0.73 0.13 0.40 115.58 116.74 2k2r h ASN 30 Ca 0.10 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 2k2r h ASN 30 Cb 0.79 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.38 2k2r h ASN 30 CO 0.07 0.00 -0.02 0.50 -0.37 0.00 0.00 177.43 177.61 2k2r h LYS 31 N 0.00 0.00 0.00 6.67 3.11 -0.12 2.28 116.57 128.50 2k2r h LYS 31 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2k2r h LYS 31 Cb 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2k2r h LYS 31 CO 0.00 0.36 -0.04 1.12 -2.81 0.00 0.00 179.45 178.07 2k2r h HIS 32 N -1.00 0.00 0.01 1.91 2.07 -1.11 -2.23 115.15 114.81 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 0.37 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.33 2k2r h HIS 32 CO 0.09 0.04 -0.74 -0.07 -3.07 0.00 0.00 177.93 174.18 2k2r h LEU 33 N 0.00 0.05 -1.36 6.12 3.38 -0.25 -3.29 115.31 119.96 2k2r h LEU 33 Ca -0.00 -0.75 0.22 0.00 0.09 0.00 0.00 57.88 57.44 2k2r h LEU 33 Cb 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2k2r h LEU 33 CO 0.01 1.30 0.93 0.78 0.09 0.00 0.00 178.44 181.55 2k2r h ASN 34 N -0.92 0.00 0.63 -0.43 -0.26 0.44 0.63 115.58 115.67 2k2r h ASN 34 Ca -0.20 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.52 2k2r h ASN 34 Cb 1.23 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.48 2k2r h ASN 34 CO -0.09 0.00 -0.46 0.50 -1.06 0.00 0.00 177.43 176.32 2k2r h LYS 35 N 0.00 -1.01 0.00 0.81 1.63 -1.51 0.86 116.57 117.34 2k2r h LYS 35 Ca 0.36 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2k2r h LYS 35 Cb 2.22 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 34.08 2k2r h LYS 35 CO -0.00 -0.68 0.00 -0.11 -3.45 0.00 0.00 179.45 175.21 2k2r n LEU 36 N -5.57 0.00 -3.13 5.20 0.00 0.21 -4.85 117.00 108.85 2k2r n LEU 36 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.73 2k2r n LEU 36 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.89 2k2r n LEU 36 CO 0.32 0.00 0.01 -0.46 0.00 0.00 0.00 177.39 177.26 2k2r n ASN 37 N -0.76 -7.10 0.00 1.96 6.94 0.30 -5.04 115.26 111.56 2k2r n ASN 37 Ca 0.07 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 2k2r n ASN 37 Cb 0.03 -4.21 0.00 0.00 -2.36 0.00 0.00 39.78 33.24 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 -0.79 0.00 -3.47 -4.53 4.77 -1.22 -4.95 117.00 106.82 2k2r n LEU 38 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2k2r n LEU 38 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2k2r n LEU 38 CO 0.52 0.00 0.37 -0.70 -1.33 0.00 0.00 177.39 176.25 2k2r s GLU 39 N 1.67 0.47 0.23 3.23 -6.30 -1.26 -4.58 118.70 112.15 2k2r s GLU 39 Ca 0.00 1.10 0.05 0.00 -2.50 0.00 0.00 54.97 53.62 2k2r s GLU 39 Cb 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 34.13 34.75 2k2r s GLU 39 CO 0.00 -0.24 0.33 0.54 0.02 0.00 0.00 175.26 175.92 2k2r s VAL 40 N 2.76 5.20 0.00 3.70 0.11 -1.26 -5.02 120.40 125.89 2k2r s VAL 40 Ca -0.00 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2k2r s VAL 40 Cb -0.11 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2k2r s VAL 40 CO -0.18 -0.29 0.00 0.41 -3.33 0.00 0.00 175.10 171.70 2k2r n THR 41 N -1.25 0.00 -3.66 5.04 -1.04 -1.26 -4.97 114.28 107.14 2k2r n THR 41 Ca -0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.64 2k2r n THR 41 Cb 0.57 1.17 -0.11 0.00 -1.82 0.00 0.00 70.33 70.13 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 0.00 1.62 0.21 -2.82 8.01 -1.26 -4.94 118.70 119.52 2k2r s GLU 42 Ca 0.00 -2.60 -0.10 0.00 0.01 0.00 0.00 54.97 52.28 2k2r s GLU 42 Cb 0.00 -2.42 0.23 0.00 -4.31 0.00 0.00 34.13 27.63 2k2r s GLU 42 CO 0.00 -1.30 1.80 1.25 0.01 0.00 0.00 175.26 177.02 2k2r h LEU 43 N 5.74 0.51 0.31 1.80 7.12 -1.94 0.59 115.31 129.44 2k2r h LEU 43 Ca 0.17 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.21 2k2r h LEU 43 Cb 0.85 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.88 2k2r h LEU 43 CO 0.54 0.33 -0.47 -0.33 -0.13 0.00 0.00 178.44 178.38 2k2r h GLU 44 N 0.64 -0.78 0.00 1.25 5.08 -1.89 -1.46 114.58 117.42 2k2r h GLU 44 Ca 0.29 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2k2r h GLU 44 Cb 0.19 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k2r h GLU 44 CO -0.19 -0.52 0.00 0.25 -1.00 0.00 0.00 179.01 177.55 2k2r n THR 45 N -5.19 0.13 0.24 1.13 -2.24 -1.06 -2.52 114.28 104.77 2k2r n THR 45 Ca -0.10 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 2k2r n THR 45 Cb 0.40 -0.71 0.38 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.25 -2.09 115.11 113.57 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 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2k2r h GLN 46 CO 0.00 0.01 -0.89 1.19 -0.95 0.00 0.00 178.83 178.20 2k2r n PHE 47 N -3.10 0.14 0.49 2.96 3.01 -1.05 -3.42 117.46 116.49 2k2r n PHE 47 Ca 0.03 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2k2r n PHE 47 Cb 0.44 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.67 2.01 0.00 4.37 0.00 -0.78 -1.83 120.51 122.60 2k2r n ALA 48 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k2r n ALA 48 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.76 0.00 0.00 0.00 5.68 -1.25 -4.89 116.55 116.85 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 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.17 0.00 0.22 6.12 0.00 -0.76 -4.68 105.19 105.91 2k2r n GLY 50 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 0.00 1.61 2.07 -1.88 -2.42 116.25 115.85 2k2r h VAL 51 Ca 0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2k2r h VAL 51 Cb 0.00 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2k2r h VAL 51 CO 0.00 0.06 0.45 1.88 0.02 0.00 0.00 177.57 179.97 2k2r h TYR 52 N -1.06 0.00 0.04 1.57 0.05 -1.83 0.63 116.97 116.37 2k2r h TYR 52 Ca -0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 2k2r h TYR 52 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2k2r h TYR 52 CO 0.02 0.00 -0.02 1.25 -1.05 0.00 0.00 178.16 178.36 2k2r h LEU 53 N 0.00 -0.05 -1.25 3.88 7.12 -1.70 -2.27 115.31 121.04 2k2r h LEU 53 Ca 0.00 -0.63 0.22 0.00 0.13 0.00 0.00 57.88 57.60 2k2r h LEU 53 Cb 0.89 0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 40.94 2k2r h LEU 53 CO 0.00 0.69 0.63 1.62 -0.13 0.00 0.00 178.44 181.25 2k2r h VAL 54 N -0.88 0.63 -0.26 1.05 3.04 0.51 0.27 116.25 120.62 2k2r h VAL 54 Ca -0.01 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2k2r h VAL 54 Cb 0.67 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 2k2r h VAL 54 CO 0.01 0.10 0.16 -0.07 -1.01 0.00 0.00 177.57 176.76 2k2r h LEU 55 N 0.54 0.30 -0.30 3.16 3.38 -1.40 -2.79 115.31 118.20 2k2r h LEU 55 Ca 0.56 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.56 2k2r h LEU 55 Cb 1.18 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2k2r h LEU 55 CO -0.31 0.24 -0.47 0.25 0.09 0.00 0.00 178.44 178.24 2k2r h LEU 56 N 0.34 -1.53 -0.74 1.67 5.85 0.15 0.44 115.31 121.48 2k2r h LEU 56 Ca 0.09 0.21 0.15 0.00 0.84 0.00 0.00 57.88 59.18 2k2r h LEU 56 Cb -0.01 0.64 -0.14 0.00 0.37 0.00 0.00 40.66 41.51 2k2r h LEU 56 CO -0.02 -0.41 -0.16 0.24 -0.34 0.00 0.00 178.44 177.76 2k2r h MET 57 N -0.42 0.01 0.01 1.25 2.86 -1.24 -1.00 114.93 116.40 2k2r h MET 57 Ca 0.09 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2k2r h MET 57 Cb 0.62 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k2r h MET 57 CO -0.51 0.01 -0.01 0.78 1.06 0.00 0.00 176.91 178.24 2k2r h GLY 58 N 0.01 -0.02 1.82 8.32 0.00 -0.99 -2.87 103.07 109.33 2k2r h GLY 58 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2k2r h GLY 58 CO -0.75 -0.01 0.08 1.41 0.00 0.00 0.00 176.54 177.27 2k2r h LEU 59 N -0.81 0.00 0.15 3.11 3.38 -0.76 1.05 115.31 121.42 2k2r h LEU 59 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k2r h LEU 59 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2k2r h LEU 59 CO 0.00 0.00 -0.07 0.25 0.09 0.00 0.00 178.44 178.71 2k2r h LEU 60 N 0.00 -0.17 -1.71 1.67 7.12 -1.14 -3.22 115.31 117.85 2k2r h LEU 60 Ca 0.00 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 2k2r h LEU 60 Cb 0.16 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2k2r h LEU 60 CO 0.00 0.38 -0.08 -0.33 -0.13 0.00 0.00 178.44 178.28 2k2r h GLU 61 N -1.01 0.00 -2.48 1.25 5.08 -0.90 -3.47 114.58 113.06 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 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k2r h GLU 61 CO 0.03 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 2k2r n GLY 62 N -0.27 0.09 3.52 -3.84 0.00 0.35 -5.10 105.19 99.93 2k2r n GLY 62 Ca -0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.83 -0.60 0.74 1.61 2.02 -1.09 -5.01 117.35 112.20 2k2r s TYR 63 Ca 0.00 0.94 -0.16 0.00 -0.37 0.00 0.00 57.07 57.48 2k2r s TYR 63 Cb 0.00 0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.96 2k2r s TYR 63 CO 0.00 -0.60 0.47 0.34 -1.57 0.00 0.00 175.55 174.19 2k2r n PHE 64 N 0.69 -1.00 -3.63 2.71 7.35 -1.26 -4.37 117.46 117.95 2k2r n PHE 64 Ca -0.17 0.33 -0.29 0.00 -0.76 0.00 0.00 57.45 56.56 2k2r n PHE 64 Cb 0.58 -1.89 -0.13 0.00 0.35 0.00 0.00 39.48 38.39 2k2r n PHE 64 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2k2r s VAL 65 N -1.96 0.80 -0.37 -2.13 1.01 -1.26 -4.95 120.40 111.55 2k2r s VAL 65 Ca 0.64 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.41 2k2r s VAL 65 Cb -0.34 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2k2r s VAL 65 CO 0.60 -0.87 1.94 -2.16 0.00 0.00 0.00 175.10 174.61 2k2r s PRO 66 N 0.96 3.08 0.00 2.72 0.05 -1.26 -4.80 135.00 135.75 2k2r s PRO 66 Ca 0.16 1.41 0.08 0.00 0.05 0.00 0.00 61.00 62.70 2k2r s PRO 66 Cb -0.22 -4.29 0.51 0.00 0.05 0.00 0.00 34.50 30.54 2k2r s PRO 66 CO -0.07 -2.16 0.92 1.28 0.05 0.00 0.00 177.00 177.02 2k2r n LEU 67 N 11.42 0.00 0.00 -3.56 4.32 -1.26 -3.10 117.00 124.82 2k2r n LEU 67 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 2k2r n LEU 67 Cb 0.48 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 2k2r n LEU 67 CO 0.69 0.00 0.36 1.57 -1.22 0.00 0.00 177.39 178.78 2k2r n HIS 68 N -0.83 0.00 -0.03 -1.77 -0.00 -1.26 -1.76 115.22 109.56 2k2r n HIS 68 Ca 0.06 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.28 2k2r n HIS 68 Cb 0.03 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.76 2k2r n HIS 68 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k2r n SER 69 N -0.51 0.89 -1.63 0.26 2.88 -1.18 -4.92 113.62 109.41 2k2r n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k2r n SER 69 Cb 0.00 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 2k2r n SER 69 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k2r n PHE 70 N -2.28 0.00 -0.98 0.66 3.01 -0.72 -4.94 117.46 112.21 2k2r n PHE 70 Ca -0.11 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.12 2k2r n PHE 70 Cb 0.65 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.20 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 0.00 2.36 0.00 1.38 3.01 -1.26 -4.96 117.46 117.99 2k2r n PHE 71 Ca 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 57.45 56.25 2k2r n PHE 71 Cb 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 39.48 38.39 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2k2r n LEU 72 N -0.41 0.00 -4.15 4.37 4.32 -1.25 -4.06 117.00 115.81 2k2r n LEU 72 Ca 0.46 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 56.12 2k2r n LEU 72 Cb 0.84 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.48 2k2r n LEU 72 CO 0.55 0.00 -0.52 -0.89 -1.22 0.00 0.00 177.39 175.31 2k2r s THR 73 N 0.00 2.21 0.13 -5.08 2.01 -1.26 -5.04 115.64 108.61 2k2r s THR 73 Ca 0.00 -0.90 -0.34 0.00 0.31 0.00 0.00 61.69 60.76 2k2r s THR 73 Cb 0.00 -1.93 -0.16 0.00 0.01 0.00 0.00 72.50 70.42 2k2r s THR 73 CO 0.00 0.53 1.16 -2.65 -0.69 0.00 0.00 174.62 172.97 2k2r n PRO 74 N 4.52 0.97 -0.09 4.92 -0.02 -1.26 -4.89 135.00 139.14 2k2r n PRO 74 Ca -0.20 0.35 -0.17 0.00 -2.02 0.00 0.00 63.50 61.45 2k2r n PRO 74 Cb 0.50 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.08 1.85 -0.77 2.55 2.03 -1.26 -5.06 116.55 117.97 2k2r n ASP 75 Ca 0.17 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2k2r n ASP 75 Cb 0.21 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -3.52 0.25 0.15 1.67 3.41 -1.26 -5.04 113.62 109.28 2k2r n SER 76 Ca -0.35 -0.68 -0.11 0.00 -0.26 0.00 0.00 58.87 57.47 2k2r n SER 76 Cb 0.79 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.68 -0.41 -0.90 7.33 3.57 -1.99 -2.95 116.94 122.27 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 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 38.74 2k2r h PHE 77 CO 0.00 -0.09 0.30 1.49 -2.23 0.00 0.00 178.31 177.78 2k2r h GLU 78 N -0.96 0.24 -0.46 1.11 4.81 -1.98 0.64 114.58 117.98 2k2r h GLU 78 Ca -0.05 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2k2r h GLU 78 Cb 0.51 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2k2r h GLU 78 CO 0.07 0.16 0.01 -0.56 -0.73 0.00 0.00 179.01 177.96 2k2r h GLN 79 N 0.25 0.74 0.28 1.92 -0.00 -1.96 -1.62 115.11 114.72 2k2r h GLN 79 Ca 0.58 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 59.02 2k2r h GLN 79 Cb 1.18 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 2k2r h GLN 79 CO -0.63 0.75 -0.13 0.87 -0.00 0.00 0.00 178.83 179.68 2k2r h LYS 80 N 0.70 -0.36 -0.54 0.06 1.57 0.33 -1.18 116.57 117.16 2k2r h LYS 80 Ca 0.14 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.10 2k2r h LYS 80 Cb 0.42 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2k2r h LYS 80 CO 0.02 -0.06 0.46 0.28 -0.57 0.00 0.00 179.45 179.58 2k2r h VAL 81 N -0.67 0.51 0.19 0.50 2.07 -0.62 -1.25 116.25 116.99 2k2r h VAL 81 Ca -0.04 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.16 2k2r h VAL 81 Cb 0.47 0.66 0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2k2r h VAL 81 CO 0.06 0.00 -1.57 0.25 0.02 0.00 0.00 177.57 176.33 2k2r h LEU 82 N 0.00 0.63 -1.91 2.57 5.85 -0.96 -0.52 115.31 120.96 2k2r h LEU 82 Ca 0.26 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 2k2r h LEU 82 Cb 1.18 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2k2r h LEU 82 CO -0.00 1.72 -0.06 0.78 -0.34 0.00 0.00 178.44 180.54 2k2r h ASN 83 N 0.02 0.00 0.35 1.25 2.35 -0.10 -0.74 115.58 118.71 2k2r h ASN 83 Ca -0.30 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.12 2k2r h ASN 83 Cb 2.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.38 2k2r h ASN 83 CO 0.18 0.06 -1.73 0.58 -1.65 0.00 0.00 177.43 174.88 2k2r h VAL 84 N 0.00 0.91 0.00 2.81 2.07 -1.39 -2.97 116.25 117.67 2k2r h VAL 84 Ca -0.00 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 2k2r h VAL 84 Cb 0.11 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2k2r h VAL 84 CO 0.01 0.77 -0.05 -1.28 0.02 0.00 0.00 177.57 177.04 2k2r h SER 85 N 0.05 0.00 0.11 0.57 0.87 -0.53 0.67 113.55 115.30 2k2r h SER 85 Ca -0.31 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2k2r h SER 85 Cb 2.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 2k2r h SER 85 CO 0.12 0.05 -0.05 0.15 -0.53 0.00 0.00 176.83 176.56 2k2r h PHE 86 N 0.00 -0.13 -0.52 2.24 3.57 -1.20 -0.61 116.94 120.29 2k2r h PHE 86 Ca -0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 86 Cb 0.10 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2k2r h PHE 86 CO 0.00 0.20 0.37 0.00 -2.23 0.00 0.00 178.31 176.65 2k2r h ALA 87 N -0.64 2.37 0.00 2.41 0.00 -1.34 1.64 119.26 123.71 2k2r h ALA 87 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k2r h ALA 87 Cb 0.40 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k2r h ALA 87 CO 0.02 -0.52 -0.15 0.35 0.00 0.00 0.00 179.25 178.95 2k2r h PHE 88 N 0.09 0.00 0.11 0.00 3.04 -0.83 -1.39 116.94 117.96 2k2r h PHE 88 Ca 0.25 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 62.04 2k2r h PHE 88 Cb 0.87 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.39 2k2r h PHE 88 CO -0.00 0.15 -0.73 0.93 -2.02 0.00 0.00 178.31 176.65 2k2r h GLU 89 N 0.00 0.23 0.00 1.11 4.39 0.40 -0.09 114.58 120.62 2k2r h GLU 89 Ca -0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2k2r h GLU 89 Cb 0.78 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2k2r h GLU 89 CO 0.02 1.19 0.00 -0.07 -1.16 0.00 0.00 179.01 178.99 2k2r h LEU 90 N -0.50 0.00 0.03 1.33 3.38 -1.19 -2.44 115.31 115.93 2k2r h LEU 90 Ca -0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 2k2r h LEU 90 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2k2r h LEU 90 CO 0.11 0.00 -0.80 0.24 0.09 0.00 0.00 178.44 178.08 2k2r h MET 91 N 0.00 0.06 -0.62 1.13 2.86 -1.24 0.62 114.93 117.74 2k2r h MET 91 Ca 0.00 -0.11 0.18 0.00 -2.06 0.00 0.00 59.70 57.71 2k2r h MET 91 Cb 0.49 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2k2r h MET 91 CO 0.00 1.05 0.50 0.37 1.06 0.00 0.00 176.91 179.89 2k2r h GLN 92 N -0.83 0.00 0.00 1.72 5.75 -0.86 0.51 115.11 121.40 2k2r h GLN 92 Ca -0.20 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.17 2k2r h GLN 92 Cb 1.30 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 2k2r h GLN 92 CO -0.06 0.00 -0.94 -3.47 -2.65 0.00 0.00 178.83 171.71 2k2r n ASP 93 N -4.13 1.84 0.00 -0.69 2.03 -0.93 -3.85 116.55 110.82 2k2r n ASP 93 Ca 0.12 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.95 2k2r n ASP 93 Cb 0.74 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2k2r n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2r n GLY 94 N 1.51 0.00 0.00 0.27 0.00 0.22 -4.87 105.19 102.32 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 -0.94 0.50 4.31 -0.02 0.00 0.17 -4.98 105.19 104.23 2k2r n GLY 95 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.66 0.99 -0.00 -1.21 -3.89 117.00 111.22 2k2r n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2k2r n LEU 96 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k2r n LEU 96 CO 0.00 0.00 -0.48 -0.62 -0.00 0.00 0.00 177.39 176.29 2k2r n GLU 97 N -0.07 -4.48 0.00 1.96 4.71 -1.26 -4.46 120.64 117.03 2k2r n GLU 97 Ca 0.00 3.40 0.00 0.00 -0.01 0.00 0.00 57.16 60.55 2k2r n GLU 97 Cb 0.00 -4.02 0.00 0.00 -1.01 0.00 0.00 31.44 26.41 2k2r n GLU 97 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2k2r n LYS 98 N -1.65 0.00 -0.96 3.49 2.85 -1.26 -4.83 118.16 115.81 2k2r n LYS 98 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2k2r n LYS 98 Cb 0.21 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 34.75 2k2r n LYS 98 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2k2r s PRO 99 N 0.00 0.91 0.00 -1.58 0.02 -1.26 -5.01 135.00 128.08 2k2r s PRO 99 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.08 2k2r s PRO 99 Cb 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.77 2k2r s PRO 99 CO 0.00 -2.54 0.00 1.17 -0.33 0.00 0.00 177.00 175.30 2k2r n LYS 100 N -4.12 1.83 -0.19 5.54 4.81 -1.26 -5.07 118.16 119.69 2k2r n LYS 100 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2k2r n LYS 100 Cb 0.54 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.59 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2k2r n PRO 101 N -2.26 0.36 -4.26 1.64 -0.04 -1.26 -5.11 135.00 124.06 2k2r n PRO 101 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2k2r n PRO 101 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.38 1.08 0.63 0.54 1.81 -1.26 -4.99 118.95 114.37 2k2r s ARG 102 Ca 0.00 -1.25 0.19 0.00 -1.72 0.00 0.00 55.73 52.94 2k2r s ARG 102 Cb 0.00 -1.04 0.78 0.00 -0.45 0.00 0.00 34.95 34.25 2k2r s ARG 102 CO 0.00 0.21 1.36 -1.35 -0.68 0.00 0.00 175.30 174.84 2k2r h PRO 103 N 3.55 0.00 0.00 3.54 0.11 -1.91 0.36 132.00 137.65 2k2r h PRO 103 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 2k2r h PRO 103 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k2r h PRO 103 CO 0.49 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 179.01 2k2r h GLU 104 N 0.00 0.00 -0.87 1.05 5.08 -1.94 -2.86 114.58 115.04 2k2r h GLU 104 Ca 0.24 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.85 2k2r h GLU 104 Cb 2.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.34 2k2r h GLU 104 CO -0.00 0.43 1.16 -0.44 -1.00 0.00 0.00 179.01 179.16 2k2r h ASP 105 N -1.00 0.00 0.00 1.42 3.32 -0.67 1.81 116.42 121.31 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 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2k2r h ASP 105 CO -0.02 0.00 -0.03 0.40 -1.72 0.00 0.00 179.24 177.87 2k2r h ILE 106 N 0.00 0.00 -1.24 0.35 1.08 -1.57 -3.30 117.51 112.83 2k2r h ILE 106 Ca 0.41 -0.09 0.37 0.00 -0.39 0.00 0.00 64.86 65.16 2k2r h ILE 106 Cb 2.74 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 36.39 2k2r h ILE 106 CO -0.00 0.00 0.83 0.58 -0.69 0.00 0.00 178.15 178.86 2k2r h VAL 107 N -0.09 0.30 0.00 1.67 2.07 -0.64 0.44 116.25 120.01 2k2r h VAL 107 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k2r h VAL 107 Cb 0.03 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2k2r h VAL 107 CO 0.00 0.03 0.00 -3.20 0.02 0.00 0.00 177.57 174.42 2k2r n ASN 108 N -4.53 0.00 0.00 0.57 4.05 0.59 -4.50 115.26 111.44 2k2r n ASN 108 Ca 0.32 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.35 2k2r n ASN 108 Cb 1.25 0.00 0.00 0.00 1.23 0.00 0.00 39.78 42.26 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k2r s ASP 110 N -1.37 2.95 -0.18 0.00 1.01 -1.24 -4.77 116.67 113.06 2k2r s ASP 110 Ca 0.00 2.22 -0.16 0.00 0.71 0.00 0.00 52.55 55.31 2k2r s ASP 110 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 2k2r s ASP 110 CO 0.00 -3.09 -0.32 0.18 0.21 0.00 0.00 175.17 172.15 2k2r n LEU 111 N -4.16 1.92 0.00 1.23 4.32 -1.26 -4.32 117.00 114.73 2k2r n LEU 111 Ca 0.12 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 2k2r n LEU 111 Cb 0.52 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 2k2r n LEU 111 CO 0.49 -0.28 0.19 1.17 -1.22 0.00 0.00 177.39 177.74 2k2r n LYS 112 N -4.48 0.00 0.41 3.23 4.81 -1.26 -0.32 118.16 120.55 2k2r n LYS 112 Ca -0.14 0.38 -0.20 0.00 -0.87 0.00 0.00 58.31 57.49 2k2r n LYS 112 Cb 0.49 -0.64 -0.10 0.00 0.02 0.00 0.00 35.03 34.79 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 -1.29 -1.09 3.14 4.64 -1.85 -2.50 113.55 114.58 2k2r h SER 113 Ca 0.00 0.08 0.41 0.00 -0.47 0.00 0.00 61.79 61.81 2k2r h SER 113 Cb 0.00 0.39 -0.16 0.00 -0.31 0.00 0.00 62.40 62.32 2k2r h SER 113 CO 0.00 -0.75 0.63 0.00 -0.87 0.00 0.00 176.83 175.85 2k2r h THR 114 N -1.18 0.09 -0.31 2.95 1.03 -1.61 0.78 112.91 114.66 2k2r h THR 114 Ca -0.10 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 66.24 2k2r h THR 114 Cb 0.96 -0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 68.02 2k2r h THR 114 CO 0.07 0.02 0.06 -0.07 -0.01 0.00 0.00 175.52 175.58 2k2r h LEU 115 N 0.09 0.48 -0.23 0.00 3.38 -0.23 -0.93 115.31 117.87 2k2r h LEU 115 Ca 0.82 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.57 2k2r h LEU 115 Cb 2.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.83 2k2r h LEU 115 CO -0.65 0.61 0.06 0.03 0.09 0.00 0.00 178.44 178.58 2k2r h ARG 116 N 0.33 0.15 0.04 1.13 -0.00 0.77 -0.87 114.38 115.93 2k2r h ARG 116 Ca 0.09 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2k2r h ARG 116 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.26 2k2r h ARG 116 CO 0.00 0.10 -0.02 0.28 0.00 0.00 0.00 179.97 180.34 2k2r h VAL 117 N 0.15 1.03 -0.55 2.04 2.07 -1.35 -2.39 116.25 117.26 2k2r h VAL 117 Ca 0.10 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.49 2k2r h VAL 117 Cb 0.09 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 2k2r h VAL 117 CO -0.12 0.06 0.16 -0.07 0.02 0.00 0.00 177.57 177.61 2k2r h LEU 118 N -0.15 0.11 -0.49 2.57 -0.00 -0.96 0.81 115.31 117.20 2k2r h LEU 118 Ca -0.01 0.08 0.10 0.00 -0.00 0.00 0.00 57.88 58.06 2k2r h LEU 118 Cb 0.13 0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 40.78 2k2r h LEU 118 CO 0.01 0.08 -0.22 0.22 -0.00 0.00 0.00 178.44 178.53 2k2r h TYR 119 N 0.32 -0.55 -1.04 1.13 3.20 -0.89 0.72 116.97 119.85 2k2r h TYR 119 Ca 0.27 0.05 0.29 0.00 3.14 0.00 0.00 58.73 62.49 2k2r h TYR 119 Cb 0.35 0.32 -0.13 0.00 1.54 0.00 0.00 36.73 38.81 2k2r h TYR 119 CO -0.20 -0.30 0.62 -0.97 -1.64 0.00 0.00 178.16 175.67 2k2r h ASN 120 N -0.11 0.54 0.31 -2.11 -0.73 -0.35 -1.30 115.58 111.83 2k2r h ASN 120 Ca 0.23 0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.53 2k2r h ASN 120 Cb 0.47 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.13 2k2r h ASN 120 CO -0.56 -0.01 -0.15 -0.07 -0.37 0.00 0.00 177.43 176.27 2k2r h LEU 121 N 0.41 -0.35 -1.51 0.34 4.07 0.10 -2.74 115.31 115.63 2k2r h LEU 121 Ca 0.68 0.01 0.44 0.00 0.08 0.00 0.00 57.88 59.09 2k2r h LEU 121 Cb 1.56 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 43.33 2k2r h LEU 121 CO -0.48 0.09 1.31 0.33 -1.08 0.00 0.00 178.44 178.60 2k2r n PHE 122 N -5.01 0.00 -0.05 1.13 7.35 -0.25 0.23 117.46 120.86 2k2r n PHE 122 Ca -0.05 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.50 2k2r n PHE 122 Cb 0.16 -0.38 -0.12 0.00 0.35 0.00 0.00 39.48 39.50 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 1.63 0.00 -2.13 2.02 -1.20 -0.79 112.91 112.44 2k2r h THR 123 Ca 0.72 -1.90 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 2k2r h THR 123 Cb 3.33 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 72.64 2k2r h THR 123 CO -0.01 0.50 -0.19 0.11 0.37 0.00 0.00 175.52 176.30 2k2r h LYS 124 N -0.76 0.00 0.00 6.66 1.57 0.31 -3.26 116.57 121.10 2k2r h LYS 124 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2k2r h LYS 124 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2k2r h LYS 124 CO 0.01 0.19 -1.80 0.66 -0.57 0.00 0.00 179.45 177.94 2k2r n TYR 125 N -3.43 0.00 -0.43 -1.35 4.02 -0.13 -4.18 117.16 111.66 2k2r n TYR 125 Ca -0.00 0.00 0.35 0.00 -0.01 0.00 0.00 57.90 58.24 2k2r n TYR 125 Cb 0.37 -0.46 0.64 0.00 -0.02 0.00 0.00 39.34 39.88 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 0.13 0.00 -0.72 2.43 -1.17 0.31 114.38 115.35 2k2r h ARG 126 Ca -0.10 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 2k2r h ARG 126 Cb 1.03 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 2k2r h ARG 126 CO 0.01 0.08 -2.14 0.09 -1.51 0.00 0.00 179.97 176.50 2k2r n ASN 127 N -4.58 0.03 -4.57 -3.80 5.03 -1.26 -4.88 115.26 101.23 2k2r n ASN 127 Ca 0.35 0.01 -0.35 0.00 0.87 0.00 0.00 54.58 55.46 2k2r n ASN 127 Cb 1.36 1.50 -0.11 0.00 -1.02 0.00 0.00 39.78 41.51 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k2r s VAL 128 N -3.06 4.61 -2.00 2.41 1.01 0.11 -5.20 120.40 118.28 2k2r s VAL 128 Ca -0.09 -0.09 0.27 0.00 0.00 0.00 0.00 61.98 62.08 2k2r s VAL 128 Cb 0.10 -3.10 0.78 0.00 0.00 0.00 0.00 36.38 34.16 2k2r s VAL 128 CO 0.87 0.42 1.98 -0.62 0.00 0.00 0.00 175.10 177.76