#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 2.36 0.82 -1.55 3.76 -1.26 -4.99 115.29 114.43 2k2r s HIS 2 Ca 0.00 0.12 -0.15 0.00 -0.15 0.00 0.00 55.06 54.89 2k2r s HIS 2 Cb 0.00 -4.58 0.00 0.00 1.11 0.00 0.00 32.58 29.11 2k2r s HIS 2 CO 0.00 -1.93 0.56 -0.85 -0.85 0.00 0.00 174.74 171.67 2k2r n GLU 3 N 9.07 0.08 -3.46 1.40 0.28 -1.26 -5.01 120.64 121.75 2k2r n GLU 3 Ca 0.05 0.08 -0.11 0.00 -0.16 0.00 0.00 57.16 57.02 2k2r n GLU 3 Cb 0.49 -1.91 -0.10 0.00 1.43 0.00 0.00 31.44 31.35 2k2r n GLU 3 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2k2r s ARG 4 N -3.23 0.29 0.00 3.44 3.00 -1.26 -4.94 118.95 116.25 2k2r s ARG 4 Ca 0.63 0.56 0.00 0.00 -1.00 0.00 0.00 55.73 55.93 2k2r s ARG 4 Cb -0.29 -0.46 0.00 0.00 0.00 0.00 0.00 34.95 34.20 2k2r s ARG 4 CO 0.61 -0.55 0.00 -3.47 0.00 0.00 0.00 175.30 171.89 2k2r n ASP 5 N 5.36 0.85 0.29 -2.12 -0.08 -1.26 -4.97 116.55 114.61 2k2r n ASP 5 Ca -0.05 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.08 2k2r n ASP 5 Cb 0.50 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.88 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 1.36 -0.72 -0.76 -1.67 0.00 -2.00 -2.42 119.26 113.05 2k2r h ALA 6 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.86 2k2r h ALA 6 Cb 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 2k2r h ALA 6 CO 0.00 -0.82 -0.25 0.27 0.00 0.00 0.00 179.25 178.45 2k2r h PHE 7 N -0.90 -0.62 0.02 0.00 -0.00 -1.96 0.84 116.94 114.32 2k2r h PHE 7 Ca -0.07 0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2k2r h PHE 7 Cb 0.62 0.39 -0.00 0.00 -0.00 0.00 0.00 35.95 36.96 2k2r h PHE 7 CO -0.01 -0.36 -0.01 0.22 -0.00 0.00 0.00 178.31 178.15 2k2r h ASP 8 N -0.04 -0.04 -0.47 -0.68 3.58 -1.90 0.47 116.42 117.34 2k2r h ASP 8 Ca 0.34 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.93 2k2r h ASP 8 Cb 0.57 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2k2r h ASP 8 CO -0.80 -0.02 0.34 0.74 -2.88 0.00 0.00 179.24 176.63 2k2r h THR 9 N -0.03 0.76 0.02 2.25 2.02 -0.93 1.62 112.91 118.62 2k2r h THR 9 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k2r h THR 9 Cb 0.02 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2k2r h THR 9 CO -0.00 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 176.13 2k2r h LEU 10 N 0.00 -0.03 0.00 2.58 5.85 0.10 0.16 115.31 123.98 2k2r h LEU 10 Ca 0.22 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k2r h LEU 10 Cb 0.90 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2k2r h LEU 10 CO -0.00 0.71 -0.15 0.49 -0.34 0.00 0.00 178.44 179.14 2k2r n PHE 11 N -4.75 0.04 0.44 1.25 3.01 0.16 -2.17 117.46 115.44 2k2r n PHE 11 Ca -0.09 0.01 0.04 0.00 1.01 0.00 0.00 57.45 58.43 2k2r n PHE 11 Cb 0.35 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.32 2k2r n PHE 11 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k2r n ASP 12 N -1.53 0.47 -1.08 4.37 9.92 0.55 -4.74 116.55 124.51 2k2r n ASP 12 Ca 0.06 -0.71 -0.01 0.00 -0.53 0.00 0.00 54.79 53.60 2k2r n ASP 12 Cb 0.34 1.01 -0.02 0.00 -0.64 0.00 0.00 41.12 41.81 2k2r n ASP 12 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2k2r n HIS 13 N -1.23 0.00 -2.68 1.24 -0.00 0.57 -4.95 115.22 108.17 2k2r n HIS 13 Ca 0.02 -0.38 -0.05 0.00 0.46 0.00 0.00 57.72 57.77 2k2r n HIS 13 Cb 0.15 0.15 0.08 0.00 -0.12 0.00 0.00 29.99 30.24 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 0.20 -3.15 0.43 1.57 0.00 -0.92 -4.88 120.51 113.75 2k2r n ALA 14 Ca -0.08 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 52.97 2k2r n ALA 14 Cb 0.85 -2.90 0.48 0.00 0.00 0.00 0.00 19.45 17.88 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 1.40 0.19 -0.09 0.00 -0.05 -1.25 -2.14 135.00 133.06 2k2r n PRO 15 Ca 0.02 0.39 -0.17 0.00 -0.05 0.00 0.00 63.50 63.69 2k2r n PRO 15 Cb 0.70 -1.85 -0.12 0.00 -0.05 0.00 0.00 33.50 32.18 2k2r n PRO 15 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 175.50 175.67 2k2r h ASP 16 N 0.00 0.00 0.03 3.54 3.58 -1.93 -3.30 116.42 118.34 2k2r h ASP 16 Ca 0.00 -0.70 -0.05 0.00 0.42 0.00 0.00 57.03 56.70 2k2r h ASP 16 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2k2r h ASP 16 CO 0.00 1.23 -0.14 0.11 -2.88 0.00 0.00 179.24 177.56 2k2r h LYS 17 N -1.00 0.23 -1.00 0.28 1.57 -1.94 -1.14 116.57 113.58 2k2r h LYS 17 Ca -0.18 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 58.73 2k2r h LYS 17 Cb 1.12 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.30 2k2r h LYS 17 CO -0.11 0.37 0.62 1.25 -0.57 0.00 0.00 179.45 181.01 2k2r h LEU 18 N 0.22 0.79 0.38 2.94 6.46 -1.54 1.70 115.31 126.26 2k2r h LEU 18 Ca 0.04 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2k2r h LEU 18 Cb 0.38 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2k2r h LEU 18 CO 0.02 0.31 -0.18 -1.13 -0.62 0.00 0.00 178.44 176.84 2k2r h ASN 19 N 0.78 -0.44 -0.05 1.25 -1.24 -1.28 -2.35 115.58 112.26 2k2r h ASN 19 Ca 0.56 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.41 2k2r h ASN 19 Cb 0.84 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 2k2r h ASN 19 CO -0.34 -0.02 -0.02 0.58 -1.29 0.00 0.00 177.43 176.34 2k2r h VAL 20 N -0.96 1.10 -0.59 2.57 2.07 -1.12 -1.76 116.25 117.57 2k2r h VAL 20 Ca -0.05 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2k2r h VAL 20 Cb 0.54 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2k2r h VAL 20 CO 0.09 0.13 0.20 0.58 0.02 0.00 0.00 177.57 178.59 2k2r h VAL 21 N 0.19 1.22 -0.49 2.57 2.07 0.26 -0.95 116.25 121.12 2k2r h VAL 21 Ca 0.05 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2k2r h VAL 21 Cb 0.17 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2k2r h VAL 21 CO 0.00 0.29 0.07 0.50 0.02 0.00 0.00 177.57 178.45 2k2r h LYS 22 N 0.85 0.82 0.00 1.57 3.64 -0.77 -1.20 116.57 121.49 2k2r h LYS 22 Ca 0.20 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2k2r h LYS 22 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2k2r h LYS 22 CO -0.01 0.82 0.00 0.87 -2.27 0.00 0.00 179.45 178.86 2k2r h LYS 23 N 0.69 0.00 0.13 1.90 1.57 -0.92 -0.03 116.57 119.91 2k2r h LYS 23 Ca 0.15 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.65 2k2r h LYS 23 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2k2r h LYS 23 CO 0.01 0.00 -1.24 1.15 -0.57 0.00 0.00 179.45 178.80 2k2r h THR 24 N 0.00 1.46 0.00 -0.16 2.02 0.02 -2.40 112.91 113.85 2k2r h THR 24 Ca 0.00 -2.93 -0.10 0.00 0.77 0.00 0.00 66.41 64.15 2k2r h THR 24 Cb 0.05 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2k2r h THR 24 CO 0.00 0.86 -0.47 -0.07 0.37 0.00 0.00 175.52 176.22 2k2r h LEU 25 N 0.11 0.00 -1.07 2.58 3.38 -0.72 -1.61 115.31 117.98 2k2r h LEU 25 Ca -0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2k2r h LEU 25 Cb 1.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.67 2k2r h LEU 25 CO 0.21 0.47 0.15 0.40 0.09 0.00 0.00 178.44 179.75 2k2r h ILE 26 N 0.00 1.22 -0.61 1.22 2.04 -0.89 -2.03 117.51 118.46 2k2r h ILE 26 Ca -0.00 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 2k2r h ILE 26 Cb 0.87 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2k2r h ILE 26 CO 0.06 0.29 0.24 0.74 0.00 0.00 0.00 178.15 179.48 2k2r h THR 27 N 0.79 1.23 -0.18 -0.27 2.02 -0.79 0.07 112.91 115.78 2k2r h THR 27 Ca 0.18 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.68 2k2r h THR 27 Cb 0.26 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2k2r h THR 27 CO -0.00 0.29 -0.17 0.15 0.37 0.00 0.00 175.52 176.15 2k2r h PHE 28 N 0.85 -0.43 -0.33 3.16 3.57 -1.06 -0.44 116.94 122.27 2k2r h PHE 28 Ca 0.20 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 28 Cb 0.21 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2k2r h PHE 28 CO 0.01 -0.24 -0.21 0.28 -2.23 0.00 0.00 178.31 175.92 2k2r h VAL 29 N -0.19 1.26 0.00 1.41 2.07 -1.32 -1.22 116.25 118.26 2k2r h VAL 29 Ca 0.11 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2k2r h VAL 29 Cb 0.36 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2k2r h VAL 29 CO -0.29 0.41 0.00 -1.13 0.02 0.00 0.00 177.57 176.58 2k2r h ASN 30 N 0.55 0.00 0.13 0.57 -0.73 0.17 0.16 115.58 116.42 2k2r h ASN 30 Ca 0.08 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 2k2r h ASN 30 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2k2r h ASN 30 CO 0.05 0.00 -0.06 0.50 -0.37 0.00 0.00 177.43 177.55 2k2r h LYS 31 N 0.00 -0.16 0.00 6.67 3.11 0.13 2.08 116.57 128.40 2k2r h LYS 31 Ca 0.00 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2k2r h LYS 31 Cb 0.09 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2k2r h LYS 31 CO 0.00 0.05 -0.02 1.12 -2.81 0.00 0.00 179.45 177.78 2k2r h HIS 32 N -1.02 0.00 0.04 1.91 2.07 -1.30 -1.51 115.15 115.34 2k2r h HIS 32 Ca -0.02 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.44 2k2r h HIS 32 Cb 0.29 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.27 2k2r h HIS 32 CO 0.04 0.02 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.58 2k2r h LEU 33 N 0.00 0.17 -1.90 6.12 3.38 -0.69 -3.13 115.31 119.26 2k2r h LEU 33 Ca -0.00 -0.95 0.45 0.00 0.09 0.00 0.00 57.88 57.48 2k2r h LEU 33 Cb 0.04 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2k2r h LEU 33 CO 0.00 1.11 1.10 0.78 0.09 0.00 0.00 178.44 181.52 2k2r h ASN 34 N -0.73 0.05 0.66 -0.43 2.35 0.44 2.45 115.58 120.36 2k2r h ASN 34 Ca -0.05 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2k2r h ASN 34 Cb 1.19 0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.58 2k2r h ASN 34 CO 0.05 -0.02 -0.31 0.11 -1.65 0.00 0.00 177.43 175.61 2k2r h LYS 35 N 0.03 -0.85 0.00 0.81 1.57 -1.38 -0.62 116.57 116.13 2k2r h LYS 35 Ca 0.76 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.60 2k2r h LYS 35 Cb 2.95 0.19 0.00 0.00 0.08 0.00 0.00 32.23 35.45 2k2r h LYS 35 CO -0.07 -0.55 0.00 -0.11 -0.57 0.00 0.00 179.45 178.16 2k2r n LEU 36 N -5.37 0.00 -3.54 2.94 7.94 0.20 -4.84 117.00 114.32 2k2r n LEU 36 Ca -0.11 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.58 2k2r n LEU 36 Cb 0.36 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.33 2k2r n LEU 36 CO 0.29 0.00 -0.00 -0.46 -1.11 0.00 0.00 177.39 176.10 2k2r n ASN 37 N -0.82 -5.90 0.00 1.96 6.94 0.77 -5.02 115.26 113.19 2k2r n ASN 37 Ca 0.07 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.89 2k2r n ASN 37 Cb 0.03 -3.44 0.00 0.00 -2.36 0.00 0.00 39.78 34.01 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 -3.08 0.00 -3.42 -4.53 7.99 -0.92 -4.92 117.00 108.13 2k2r n LEU 38 Ca -0.13 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 55.88 2k2r n LEU 38 Cb 0.60 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.87 2k2r n LEU 38 CO 0.62 0.00 0.49 -0.70 -1.51 0.00 0.00 177.39 176.30 2k2r s GLU 39 N 2.01 0.37 0.34 3.23 2.12 -1.26 -4.57 118.70 120.94 2k2r s GLU 39 Ca 0.00 0.88 -0.01 0.00 0.36 0.00 0.00 54.97 56.21 2k2r s GLU 39 Cb 0.00 0.53 -0.04 0.00 0.26 0.00 0.00 34.13 34.88 2k2r s GLU 39 CO 0.00 -0.17 0.56 0.54 -0.54 0.00 0.00 175.26 175.65 2k2r s VAL 40 N 2.63 5.08 0.00 3.70 0.11 -1.26 -5.00 120.40 125.65 2k2r s VAL 40 Ca -0.01 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2k2r s VAL 40 Cb -0.08 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2k2r s VAL 40 CO -0.18 -0.53 0.00 0.41 -3.33 0.00 0.00 175.10 171.48 2k2r n THR 41 N -1.64 0.00 -3.90 5.04 -1.04 -1.26 -4.97 114.28 106.52 2k2r n THR 41 Ca -0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 2k2r n THR 41 Cb 0.56 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.94 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N -0.76 2.39 0.20 -2.82 2.02 -1.26 -4.92 118.70 113.55 2k2r s GLU 42 Ca 0.00 -3.17 -0.10 0.00 0.02 0.00 0.00 54.97 51.71 2k2r s GLU 42 Cb 0.00 -3.43 0.25 0.00 0.10 0.00 0.00 34.13 31.05 2k2r s GLU 42 CO 0.00 -1.24 1.74 1.25 0.02 0.00 0.00 175.26 177.03 2k2r h LEU 43 N 5.69 0.21 -0.09 1.80 7.12 -1.94 0.34 115.31 128.44 2k2r h LEU 43 Ca 0.09 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.20 2k2r h LEU 43 Cb 0.79 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.93 2k2r h LEU 43 CO 0.72 0.13 -0.43 -0.33 -0.13 0.00 0.00 178.44 178.39 2k2r h GLU 44 N 0.39 -0.46 0.00 1.25 5.08 -1.90 -0.75 114.58 118.19 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 0.35 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k2r h GLU 44 CO -0.29 -0.31 0.00 0.25 -1.00 0.00 0.00 179.01 177.66 2k2r n THR 45 N -4.85 0.02 0.28 1.13 -2.24 -1.01 -2.89 114.28 104.72 2k2r n THR 45 Ca -0.05 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.89 2k2r n THR 45 Cb 0.30 -0.59 0.50 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.64 -1.79 115.11 114.26 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.02 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 -1.26 1.19 -0.95 0.00 0.00 178.83 177.81 2k2r n PHE 47 N -3.01 0.24 0.41 2.96 3.01 -1.14 -3.08 117.46 116.84 2k2r n PHE 47 Ca 0.02 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2k2r n PHE 47 Cb 0.38 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.93 1.88 0.00 4.37 0.00 -0.67 -1.92 120.51 122.25 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 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.74 0.00 0.00 0.00 5.68 -1.26 -4.90 116.55 116.82 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 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.06 0.00 0.28 6.12 0.00 -0.81 -4.69 105.19 106.04 2k2r n GLY 50 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.68 116.25 115.36 2k2r h VAL 51 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2k2r h VAL 51 Cb 0.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2k2r h VAL 51 CO 0.00 0.00 0.26 1.88 0.02 0.00 0.00 177.57 179.73 2k2r h TYR 52 N -1.02 0.00 0.29 1.57 -1.99 -1.87 -2.00 116.97 111.96 2k2r h TYR 52 Ca -0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2k2r h TYR 52 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 2k2r h TYR 52 CO 0.02 0.00 -0.14 -0.07 -0.00 0.00 0.00 178.16 177.97 2k2r h LEU 53 N 0.00 -0.33 -1.68 3.88 4.07 -1.76 -1.41 115.31 118.08 2k2r h LEU 53 Ca 0.00 0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.19 2k2r h LEU 53 Cb 0.52 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.29 2k2r h LEU 53 CO 0.00 0.12 0.61 0.58 -1.08 0.00 0.00 178.44 178.67 2k2r h VAL 54 N -1.10 0.63 -0.01 1.22 2.07 -1.16 0.25 116.25 118.15 2k2r h VAL 54 Ca -0.04 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2k2r h VAL 54 Cb 0.30 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2k2r h VAL 54 CO 0.07 0.05 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 2k2r h LEU 55 N 0.26 0.01 -0.74 2.57 3.38 -1.45 -2.77 115.31 116.57 2k2r h LEU 55 Ca 0.45 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.39 2k2r h LEU 55 Cb 1.35 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.96 2k2r h LEU 55 CO -0.12 0.18 -0.29 0.25 0.09 0.00 0.00 178.44 178.54 2k2r h LEU 56 N -0.15 -1.04 -1.22 1.67 5.85 0.65 1.66 115.31 122.73 2k2r h LEU 56 Ca 0.00 0.25 0.20 0.00 0.84 0.00 0.00 57.88 59.17 2k2r h LEU 56 Cb 0.17 0.58 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 2k2r h LEU 56 CO -0.00 -0.28 0.62 0.24 -0.34 0.00 0.00 178.44 178.67 2k2r h MET 57 N -0.07 0.59 0.32 1.25 0.00 -1.22 -0.86 114.93 114.94 2k2r h MET 57 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 59.70 59.96 2k2r h MET 57 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 31.60 32.04 2k2r h MET 57 CO -0.79 0.39 -0.15 0.78 0.00 0.00 0.00 176.91 177.14 2k2r h GLY 58 N 0.61 -0.44 1.87 8.32 0.00 0.26 -2.82 103.07 110.87 2k2r h GLY 58 Ca 0.54 0.16 0.00 0.00 0.00 0.00 0.00 47.33 48.04 2k2r h GLY 58 CO -0.30 -0.16 0.05 1.41 0.00 0.00 0.00 176.54 177.54 2k2r h LEU 59 N -1.05 0.00 0.34 3.11 -0.00 -0.92 0.15 115.31 116.94 2k2r h LEU 59 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2k2r h LEU 59 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2k2r h LEU 59 CO 0.07 0.00 -0.16 0.25 -0.00 0.00 0.00 178.44 178.60 2k2r h LEU 60 N 0.00 -0.38 -1.30 1.67 7.12 -1.09 -3.17 115.31 118.15 2k2r h LEU 60 Ca 0.00 -0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.03 2k2r h LEU 60 Cb 0.10 0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.28 2k2r h LEU 60 CO 0.00 0.07 0.52 -0.08 -0.13 0.00 0.00 178.44 178.83 2k2r h GLU 61 N -1.08 0.80 0.00 1.25 4.81 -0.98 -3.46 114.58 115.92 2k2r h GLU 61 Ca -0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2k2r h GLU 61 Cb 0.42 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2k2r h GLU 61 CO 0.08 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.29 2k2r n GLY 62 N -1.43 0.73 0.00 1.92 0.00 -0.08 -5.13 105.19 101.20 2k2r n GLY 62 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2k2r n GLY 62 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k2r n TYR 63 N 0.00 -0.03 -4.02 1.61 9.36 -1.12 -5.02 117.16 117.94 2k2r n TYR 63 Ca 0.00 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.91 2k2r n TYR 63 Cb 0.00 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.56 2k2r n TYR 63 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 2k2r s PHE 64 N -2.00 3.06 -0.09 2.98 5.36 -1.26 -4.29 117.98 121.73 2k2r s PHE 64 Ca 0.00 -2.25 -0.30 0.00 -0.96 0.00 0.00 56.93 53.43 2k2r s PHE 64 Cb 0.00 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 2k2r s PHE 64 CO 0.00 -0.86 1.26 0.08 -1.46 0.00 0.00 175.22 174.24 2k2r s VAL 65 N 1.17 4.19 0.71 3.12 1.01 -1.26 -4.98 120.40 124.36 2k2r s VAL 65 Ca -0.05 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 63.26 2k2r s VAL 65 Cb -0.19 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 2k2r s VAL 65 CO -0.06 -0.05 0.93 -2.65 0.00 0.00 0.00 175.10 173.26 2k2r n PRO 66 N 5.81 0.54 -0.07 2.72 -0.02 -1.26 -4.92 135.00 137.79 2k2r n PRO 66 Ca 0.12 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 2k2r n PRO 66 Cb 0.45 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.17 0.59 -0.62 2.45 4.07 -1.93 -3.11 115.31 116.59 2k2r h LEU 67 Ca -0.47 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 56.99 2k2r h LEU 67 Cb 1.34 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.91 2k2r h LEU 67 CO 0.47 0.97 0.00 1.12 -1.08 0.00 0.00 178.44 179.92 2k2r h HIS 68 N 0.22 0.00 -0.98 1.13 2.07 -1.92 -3.10 115.15 112.57 2k2r h HIS 68 Ca 0.03 0.00 0.18 0.00 -2.85 0.00 0.00 60.37 57.73 2k2r h HIS 68 Cb 0.82 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.71 2k2r h HIS 68 CO 0.08 0.00 0.61 1.03 -3.07 0.00 0.00 177.93 176.58 2k2r h SER 69 N 0.00 0.71 0.00 3.10 0.87 -1.91 -3.44 113.55 112.88 2k2r h SER 69 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2k2r h SER 69 Cb 0.75 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2k2r h SER 69 CO 0.00 0.28 0.00 2.22 -0.53 0.00 0.00 176.83 178.80 2k2r n PHE 70 N -4.67 0.00 -3.23 2.24 -1.74 -1.17 -5.03 117.46 103.86 2k2r n PHE 70 Ca 0.21 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.98 2k2r n PHE 70 Cb 0.57 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.58 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 -2.85 0.00 2.97 7.35 -1.26 -4.95 117.46 118.72 2k2r n PHE 71 Ca 0.00 1.13 0.00 0.00 -0.76 0.00 0.00 57.45 57.82 2k2r n PHE 71 Cb 0.00 -3.53 0.00 0.00 0.35 0.00 0.00 39.48 36.30 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2k2r n LEU 72 N -1.45 0.00 -2.85 -2.13 4.77 -1.26 -4.95 117.00 109.13 2k2r n LEU 72 Ca -0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.81 2k2r n LEU 72 Cb 0.56 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 2k2r n LEU 72 CO 0.55 0.00 0.08 0.35 -1.33 0.00 0.00 177.39 177.04 2k2r n THR 73 N 0.00 -0.17 -1.50 -5.08 -2.24 -1.26 -5.06 114.28 98.97 2k2r n THR 73 Ca 0.00 -1.98 -0.13 0.00 -2.27 0.00 0.00 64.05 59.67 2k2r n THR 73 Cb 0.00 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 2k2r n THR 73 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2k2r n PRO 74 N 1.79 0.26 -0.13 -0.78 -0.02 -1.26 -4.54 135.00 130.31 2k2r n PRO 74 Ca 0.13 -1.01 -0.27 0.00 -2.02 0.00 0.00 63.50 60.33 2k2r n PRO 74 Cb 0.60 -3.23 -0.10 0.00 -0.02 0.00 0.00 33.50 30.75 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 16.40 1.94 -2.31 2.55 2.03 -1.26 -4.85 116.55 131.05 2k2r n ASP 75 Ca 0.42 0.36 -0.03 0.00 0.52 0.00 0.00 54.79 56.06 2k2r n ASP 75 Cb 0.42 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 -4.30 1.19 0.29 1.67 3.41 -1.26 -5.00 113.62 109.62 2k2r n SER 76 Ca -0.48 -1.21 -0.14 0.00 -0.26 0.00 0.00 58.87 56.78 2k2r n SER 76 Cb 0.83 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.52 -0.71 -0.95 7.33 3.57 -1.99 -2.57 116.94 122.13 2k2r h PHE 77 Ca -0.04 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.69 2k2r h PHE 77 Cb 0.14 0.23 -0.13 0.00 2.79 0.00 0.00 35.95 38.99 2k2r h PHE 77 CO 0.00 -0.39 0.49 1.49 -2.23 0.00 0.00 178.31 177.67 2k2r h GLU 78 N -1.10 0.43 -0.04 1.11 4.81 -1.97 0.77 114.58 118.59 2k2r h GLU 78 Ca -0.08 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2k2r h GLU 78 Cb 0.64 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2k2r h GLU 78 CO 0.13 0.28 -0.23 1.96 -0.73 0.00 0.00 179.01 180.42 2k2r h GLN 79 N 0.44 0.06 0.02 1.92 4.20 -1.88 -0.92 115.11 118.95 2k2r h GLN 79 Ca 0.62 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.31 2k2r h GLN 79 Cb 1.22 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2k2r h GLN 79 CO -0.53 0.29 -0.01 0.87 -0.67 0.00 0.00 178.83 178.79 2k2r h LYS 80 N 0.06 -0.02 -0.33 1.46 1.57 0.83 -2.78 116.57 117.35 2k2r h LYS 80 Ca 0.01 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2k2r h LYS 80 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2k2r h LYS 80 CO 0.03 0.74 0.47 0.28 -0.57 0.00 0.00 179.45 180.41 2k2r h VAL 81 N -0.90 0.25 0.10 0.50 2.07 -0.56 -1.85 116.25 115.87 2k2r h VAL 81 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k2r h VAL 81 Cb 0.78 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k2r h VAL 81 CO 0.00 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.47 2k2r h LEU 82 N 0.00 -0.12 -2.00 2.57 3.38 -1.10 -0.00 115.31 118.05 2k2r h LEU 82 Ca 0.16 -0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.47 2k2r h LEU 82 Cb 1.10 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2k2r h LEU 82 CO -0.00 0.37 0.85 -1.13 0.09 0.00 0.00 178.44 178.61 2k2r h ASN 83 N -1.04 0.00 0.43 -0.43 -0.73 -1.07 0.27 115.58 113.01 2k2r h ASN 83 Ca -0.01 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.85 2k2r h ASN 83 Cb 0.11 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 2k2r h ASN 83 CO 0.02 0.00 -1.65 0.58 -0.37 0.00 0.00 177.43 176.01 2k2r h VAL 84 N 0.00 0.98 0.00 2.57 2.07 -1.44 -2.91 116.25 117.53 2k2r h VAL 84 Ca 0.56 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 2k2r h VAL 84 Cb 2.24 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 34.61 2k2r h VAL 84 CO -0.01 0.74 -0.12 0.77 0.02 0.00 0.00 177.57 178.97 2k2r h SER 85 N 0.04 0.00 0.17 0.57 4.64 0.15 0.54 113.55 119.66 2k2r h SER 85 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2k2r h SER 85 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2k2r h SER 85 CO 0.12 0.12 -0.08 0.15 -0.87 0.00 0.00 176.83 176.27 2k2r h PHE 86 N 0.00 -0.21 -0.49 4.77 3.57 -1.02 -0.21 116.94 123.35 2k2r h PHE 86 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2k2r h PHE 86 Cb 0.24 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2k2r h PHE 86 CO 0.00 0.13 0.33 0.00 -2.23 0.00 0.00 178.31 176.54 2k2r h ALA 87 N -0.61 2.08 0.00 2.41 0.00 -1.31 1.11 119.26 122.93 2k2r h ALA 87 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k2r h ALA 87 Cb 0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k2r h ALA 87 CO 0.04 -0.19 -0.07 0.35 0.00 0.00 0.00 179.25 179.38 2k2r h PHE 88 N 0.29 0.00 0.06 0.00 3.04 -0.85 -1.61 116.94 117.86 2k2r h PHE 88 Ca 0.22 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 2k2r h PHE 88 Cb 0.50 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.02 2k2r h PHE 88 CO -0.00 0.07 -0.39 0.93 -2.02 0.00 0.00 178.31 176.90 2k2r h GLU 89 N 0.00 0.17 0.00 1.11 4.39 0.31 0.10 114.58 120.66 2k2r h GLU 89 Ca -0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2k2r h GLU 89 Cb 0.70 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2k2r h GLU 89 CO 0.01 1.09 0.00 -0.07 -1.16 0.00 0.00 179.01 178.88 2k2r h LEU 90 N -0.62 0.00 0.03 1.33 3.38 -1.24 -2.51 115.31 115.67 2k2r h LEU 90 Ca -0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2k2r h LEU 90 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2k2r h LEU 90 CO 0.07 0.00 -0.85 0.24 0.09 0.00 0.00 178.44 178.00 2k2r h MET 91 N 0.00 0.07 -0.81 1.13 2.86 -1.24 0.19 114.93 117.13 2k2r h MET 91 Ca 0.00 -0.12 0.23 0.00 -2.06 0.00 0.00 59.70 57.76 2k2r h MET 91 Cb 0.44 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2k2r h MET 91 CO 0.00 1.06 0.61 0.37 1.06 0.00 0.00 176.91 180.01 2k2r h GLN 92 N -0.81 0.00 0.00 1.72 -0.00 -0.81 0.65 115.11 115.86 2k2r h GLN 92 Ca -0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.36 2k2r h GLN 92 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.79 2k2r h GLN 92 CO -0.06 0.00 -0.48 0.22 0.00 0.00 0.00 178.83 178.51 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 3.58 -1.48 -3.23 116.42 114.60 2k2r h ASP 93 Ca 0.38 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2k2r h ASP 93 Cb 1.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2k2r h ASP 93 CO -0.00 1.06 0.02 0.61 -2.88 0.00 0.00 179.24 178.04 2k2r n GLY 94 N 1.58 -0.14 0.00 -0.78 0.00 0.68 -4.86 105.19 101.67 2k2r n GLY 94 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.11 1.34 4.81 -0.02 0.00 0.21 -4.97 105.19 105.45 2k2r n GLY 95 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.55 0.99 7.94 -1.23 -4.26 117.00 118.90 2k2r n LEU 96 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2k2r n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2k2r n LEU 96 CO 0.00 0.00 -0.53 -0.62 -1.11 0.00 0.00 177.39 175.13 2k2r n GLU 97 N -0.46 -3.82 -0.91 1.96 1.02 -1.26 -4.50 120.64 112.67 2k2r n GLU 97 Ca 0.00 3.02 -0.23 0.00 -0.02 0.00 0.00 57.16 59.93 2k2r n GLU 97 Cb 0.00 -3.95 -0.10 0.00 -0.02 0.00 0.00 31.44 27.38 2k2r n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k2r n LYS 98 N -3.18 0.00 -1.43 3.49 5.02 -1.26 -4.87 118.16 115.93 2k2r n LYS 98 Ca -0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 2k2r n LYS 98 Cb 0.54 -0.86 0.11 0.00 -0.02 0.00 0.00 35.03 34.80 2k2r n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k2r s PRO 99 N 5.25 1.78 -0.12 1.97 0.04 -1.26 -5.03 135.00 137.63 2k2r s PRO 99 Ca 0.82 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 2k2r s PRO 99 Cb -0.72 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 2k2r s PRO 99 CO 0.30 -1.85 -0.15 1.63 0.04 0.00 0.00 177.00 176.97 2k2r n LYS 100 N -3.60 0.26 0.00 4.56 5.02 -1.26 -5.05 118.16 118.10 2k2r n LYS 100 Ca 0.07 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2k2r n LYS 100 Cb 0.56 -0.98 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 -0.52 0.00 0.00 177.40 176.53 2k2r n PRO 101 N -3.45 0.44 -4.04 1.97 -0.04 -1.26 -5.11 135.00 123.52 2k2r n PRO 101 Ca -0.24 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.13 2k2r n PRO 101 Cb 0.68 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.03 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N -1.48 0.46 0.64 0.54 0.52 -1.26 -4.98 118.95 113.38 2k2r s ARG 102 Ca 0.00 -0.86 0.09 0.00 -0.52 0.00 0.00 55.73 54.44 2k2r s ARG 102 Cb 0.00 0.07 0.32 0.00 0.52 0.00 0.00 34.95 35.85 2k2r s ARG 102 CO 0.00 -0.05 1.10 -2.30 0.02 0.00 0.00 175.30 174.06 2k2r n PRO 103 N 1.03 0.02 -0.01 3.54 -0.02 -1.26 0.89 135.00 139.19 2k2r n PRO 103 Ca -0.20 0.97 -0.02 0.00 -2.02 0.00 0.00 63.50 62.23 2k2r n PRO 103 Cb 0.57 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 -0.09 -1.62 -0.52 5.08 -1.94 -2.77 114.58 112.71 2k2r h GLU 104 Ca 0.17 0.01 0.47 0.00 -1.00 0.00 0.00 59.36 59.01 2k2r h GLU 104 Cb 2.32 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 31.52 2k2r h GLU 104 CO -0.00 -0.03 1.23 -0.44 -1.00 0.00 0.00 179.01 178.77 2k2r h ASP 105 N -1.02 0.00 0.00 1.42 3.32 0.12 0.70 116.42 120.96 2k2r h ASP 105 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k2r h ASP 105 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2k2r h ASP 105 CO 0.02 0.00 -0.00 0.40 -1.72 0.00 0.00 179.24 177.94 2k2r h ILE 106 N 0.00 0.00 -1.47 0.35 1.08 -1.52 -3.27 117.51 112.68 2k2r h ILE 106 Ca 0.77 -0.15 0.43 0.00 -0.39 0.00 0.00 64.86 65.52 2k2r h ILE 106 Cb 3.22 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.91 2k2r h ILE 106 CO -0.01 0.00 1.11 0.58 -0.69 0.00 0.00 178.15 179.14 2k2r h VAL 107 N -0.15 0.20 0.00 1.67 2.07 -0.89 0.87 116.25 120.02 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 0.00 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 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 -3.97 0.00 0.00 0.57 2.85 0.23 -4.50 115.26 110.44 2k2r n ASN 108 Ca 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 2k2r n ASN 108 Cb 1.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.59 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 -1.34 5.39 -0.26 0.00 1.47 -1.26 -4.76 116.67 115.91 2k2r s ASP 110 Ca 0.00 1.80 -0.16 0.00 1.18 0.00 0.00 52.55 55.37 2k2r s ASP 110 Cb 0.00 -2.52 -0.14 0.00 -0.34 0.00 0.00 42.92 39.91 2k2r s ASP 110 CO 0.00 -1.44 -0.19 0.18 0.68 0.00 0.00 175.17 174.40 2k2r n LEU 111 N -2.58 1.93 0.00 2.11 4.77 -1.26 -4.31 117.00 117.66 2k2r n LEU 111 Ca 0.09 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2k2r n LEU 111 Cb 0.53 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2k2r n LEU 111 CO 0.50 0.49 0.18 1.17 -1.33 0.00 0.00 177.39 178.40 2k2r n LYS 112 N -4.30 0.00 0.16 3.23 4.81 -1.26 -0.34 118.16 120.45 2k2r n LYS 112 Ca -0.48 0.36 -0.16 0.00 -0.87 0.00 0.00 58.31 57.16 2k2r n LYS 112 Cb 0.83 -0.69 -0.08 0.00 0.02 0.00 0.00 35.03 35.10 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 -1.31 -1.00 3.14 4.64 -1.87 -1.79 113.55 115.37 2k2r h SER 113 Ca 0.00 0.13 0.37 0.00 -0.47 0.00 0.00 61.79 61.83 2k2r h SER 113 Cb 0.00 0.47 -0.18 0.00 -0.31 0.00 0.00 62.40 62.39 2k2r h SER 113 CO 0.00 -0.54 0.42 0.00 -0.87 0.00 0.00 176.83 175.84 2k2r h THR 114 N -0.75 0.04 -0.03 2.95 1.03 -1.64 0.65 112.91 115.17 2k2r h THR 114 Ca -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 66.38 2k2r h THR 114 Cb 0.73 -0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.81 2k2r h THR 114 CO -0.20 0.01 0.01 -0.07 -0.01 0.00 0.00 175.52 175.25 2k2r h LEU 115 N 0.03 0.04 -0.59 0.00 3.38 0.20 -0.52 115.31 117.86 2k2r h LEU 115 Ca 0.78 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.61 2k2r h LEU 115 Cb 1.94 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.56 2k2r h LEU 115 CO -0.79 0.27 -0.34 0.03 0.09 0.00 0.00 178.44 177.69 2k2r h ARG 116 N -0.19 -0.16 0.20 1.13 -0.00 0.57 -0.22 114.38 115.72 2k2r h ARG 116 Ca 0.01 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 2k2r h ARG 116 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.25 2k2r h ARG 116 CO 0.00 -0.11 -0.10 0.28 0.00 0.00 0.00 179.97 180.04 2k2r h VAL 117 N -0.17 0.87 -0.73 2.04 2.07 -1.41 -2.82 116.25 116.11 2k2r h VAL 117 Ca 0.23 -0.83 0.12 0.00 0.82 0.00 0.00 66.70 67.03 2k2r h VAL 117 Cb 0.55 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2k2r h VAL 117 CO -0.68 0.17 0.48 -0.07 0.02 0.00 0.00 177.57 177.50 2k2r h LEU 118 N -0.72 0.49 0.18 2.57 3.38 -0.84 0.14 115.31 120.50 2k2r h LEU 118 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k2r h LEU 118 Cb 0.50 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k2r h LEU 118 CO 0.05 0.28 -0.09 0.22 0.09 0.00 0.00 178.44 178.99 2k2r h TYR 119 N 0.53 -0.22 -0.85 1.13 3.20 -1.04 -0.85 116.97 118.87 2k2r h TYR 119 Ca 0.35 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.42 2k2r h TYR 119 Cb 0.62 0.07 -0.15 0.00 1.54 0.00 0.00 36.73 38.82 2k2r h TYR 119 CO -0.00 -0.13 0.07 -0.97 -1.64 0.00 0.00 178.16 175.48 2k2r h ASN 120 N -0.25 -0.30 0.53 -2.11 -0.73 -0.48 -0.77 115.58 111.47 2k2r h ASN 120 Ca -0.02 0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 2k2r h ASN 120 Cb 0.19 0.36 0.01 0.00 0.27 0.00 0.00 38.32 39.15 2k2r h ASN 120 CO 0.04 -0.22 -0.26 -0.07 -0.37 0.00 0.00 177.43 176.56 2k2r h LEU 121 N 0.11 -0.61 -0.85 0.34 -0.00 -0.76 -2.61 115.31 110.94 2k2r h LEU 121 Ca 0.50 0.02 0.23 0.00 -0.00 0.00 0.00 57.88 58.63 2k2r h LEU 121 Cb 0.95 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 2k2r h LEU 121 CO -0.73 -0.31 1.16 0.15 -0.00 0.00 0.00 178.44 178.71 2k2r h PHE 122 N -0.97 0.00 0.02 1.13 3.57 -0.25 1.38 116.94 121.82 2k2r h PHE 122 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2k2r h PHE 122 Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2k2r h PHE 122 CO 0.03 0.00 -0.01 1.15 -2.23 0.00 0.00 178.31 177.25 2k2r h THR 123 N 0.00 1.46 0.00 4.41 2.02 -0.81 -1.08 112.91 118.91 2k2r h THR 123 Ca 0.38 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2k2r h THR 123 Cb 2.70 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 71.72 2k2r h THR 123 CO -0.00 0.44 0.00 0.11 0.37 0.00 0.00 175.52 176.43 2k2r h LYS 124 N -0.83 0.00 0.00 6.66 1.57 0.21 -3.27 116.57 120.91 2k2r h LYS 124 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2k2r h LYS 124 Cb 0.74 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2k2r h LYS 124 CO 0.00 0.00 -2.06 0.66 -0.57 0.00 0.00 179.45 177.49 2k2r n TYR 125 N -3.06 0.00 -0.63 -1.35 4.02 -0.14 -4.44 117.16 111.56 2k2r n TYR 125 Ca 0.02 0.00 0.48 0.00 -0.01 0.00 0.00 57.90 58.39 2k2r n TYR 125 Cb 0.38 -0.68 0.74 0.00 -0.02 0.00 0.00 39.34 39.76 2k2r n TYR 125 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2k2r n ARG 126 N -2.44 0.00 -0.01 -0.72 0.63 -0.41 0.29 116.66 114.00 2k2r n ARG 126 Ca -0.18 0.99 0.04 0.00 -0.92 0.00 0.00 57.85 57.78 2k2r n ARG 126 Cb 0.83 -2.29 -0.13 0.00 0.45 0.00 0.00 32.46 31.32 2k2r n ARG 126 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2k2r n ASN 127 N -3.72 0.28 -4.74 6.15 3.02 -1.26 -4.90 115.26 110.08 2k2r n ASN 127 Ca 0.40 0.12 -0.34 0.00 -0.03 0.00 0.00 54.58 54.73 2k2r n ASN 127 Cb 1.83 1.22 -0.08 0.00 -0.61 0.00 0.00 39.78 42.14 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k2r s VAL 128 N -3.16 4.59 -2.00 2.41 1.01 0.83 -5.22 120.40 118.86 2k2r s VAL 128 Ca -0.06 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2k2r s VAL 128 Cb 0.11 -3.02 0.22 0.00 0.00 0.00 0.00 36.38 33.68 2k2r s VAL 128 CO 0.86 0.47 0.92 -0.62 0.00 0.00 0.00 175.10 176.72