#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n GLY 7 N 0.00 0.96 3.86 -0.02 0.00 -1.26 -5.11 105.19 103.63 3i1r n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i1r n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1r s SER 8 N -1.90 4.49 0.00 1.61 0.01 -1.26 -4.97 113.70 111.68 3i1r s SER 8 Ca 0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 3i1r s SER 8 Cb 0.00 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.70 3i1r s SER 8 CO 0.00 -1.93 0.00 1.07 0.41 0.00 0.00 173.24 172.79 3i1r n THR 9 N -3.36 0.00 -1.41 1.44 5.66 -1.26 -5.17 114.28 110.18 3i1r n THR 9 Ca 0.07 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.25 3i1r n THR 9 Cb 0.59 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.28 3i1r n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1r n ARG 10 N 0.00 -3.25 -3.61 1.09 3.00 -1.26 -5.06 116.66 107.57 3i1r n ARG 10 Ca 0.00 2.63 -0.05 0.00 -0.01 0.00 0.00 57.85 60.42 3i1r n ARG 10 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 32.46 28.62 3i1r n ARG 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3i1r s ASN 11 N -7.20 -0.15 1.34 0.55 3.84 -1.26 -5.15 114.94 106.91 3i1r s ASN 11 Ca 0.00 0.13 -0.19 0.00 0.21 0.00 0.00 52.86 53.01 3i1r s ASN 11 Cb 0.00 0.13 0.35 0.00 -0.55 0.00 0.00 41.25 41.17 3i1r s ASN 11 CO 0.00 -0.16 0.95 -0.83 -2.79 0.00 0.00 177.10 174.27 3i1r s GLY 12 N -1.33 1.45 0.15 1.21 0.00 -1.26 -5.03 107.32 102.52 3i1r s GLY 12 Ca 0.06 -0.51 0.07 0.00 0.00 0.00 0.00 44.72 44.34 3i1r s GLY 12 CO -0.05 0.40 -0.02 -1.60 0.00 0.00 0.00 173.10 171.83 3i1r s ARG 13 N -4.75 2.36 0.00 2.90 3.52 -1.26 -5.05 118.95 116.68 3i1r s ARG 13 Ca 0.69 -1.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 3i1r s ARG 13 Cb -0.19 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 3i1r s ARG 13 CO 0.62 0.47 0.00 -0.25 -0.81 0.00 0.00 175.30 175.33 3i1r n ASP 14 N 0.08 0.00 0.00 -2.12 9.92 -1.26 -4.80 116.55 118.37 3i1r n ASP 14 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 3i1r n ASP 14 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 3i1r n ASP 14 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3i1r n SER 15 N 0.35 0.00 0.00 -2.24 7.64 -1.26 -5.01 113.62 113.10 3i1r n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i1r n SER 15 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3i1r n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1r n GLU 16 N 0.00 0.00 -1.24 1.43 -0.58 -1.26 -5.01 120.64 113.98 3i1r n GLU 16 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 3i1r n GLU 16 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 3i1r n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1r n ALA 17 N 3.92 -3.44 0.00 0.62 0.00 -1.26 -4.97 120.51 115.38 3i1r n ALA 17 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3i1r n ALA 17 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3i1r n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1r n LYS 18 N -3.76 0.00 -1.51 0.00 3.00 -1.26 -4.69 118.16 109.94 3i1r n LYS 18 Ca -0.02 0.00 -0.59 0.00 -0.00 0.00 0.00 58.31 57.70 3i1r n LYS 18 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.59 3i1r n LYS 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i1r n ARG 19 N 2.01 0.00 -0.10 1.64 1.85 -1.26 -2.43 116.66 118.36 3i1r n ARG 19 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 3i1r n ARG 19 Cb 0.00 -1.44 -0.13 0.00 -1.05 0.00 0.00 32.46 29.84 3i1r n ARG 19 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i1r n LEU 20 N 2.14 1.34 0.00 2.89 4.77 -1.26 -4.72 117.00 122.15 3i1r n LEU 20 Ca 0.22 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 3i1r n LEU 20 Cb 0.04 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3i1r n LEU 20 CO 0.67 0.65 0.16 0.61 -1.33 0.00 0.00 177.39 178.15 3i1r n GLY 21 N 2.10 1.22 3.61 -0.72 0.00 -1.26 -4.86 105.19 105.28 3i1r n GLY 21 Ca -0.35 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.62 3i1r n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r s VAL 22 N -0.59 0.00 0.00 1.61 0.11 -1.26 -4.61 120.40 115.66 3i1r s VAL 22 Ca 0.21 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 3i1r s VAL 22 Cb -0.01 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 3i1r s VAL 22 CO 0.14 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.20 3i1r n LYS 23 N -0.20 0.00 -2.01 1.54 -0.00 -1.26 -4.01 118.16 112.22 3i1r n LYS 23 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.96 3i1r n LYS 23 Cb 0.59 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.65 3i1r n LYS 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3i1r s ARG 24 N 0.00 3.04 0.00 -1.58 1.04 -1.25 -3.21 118.95 117.00 3i1r s ARG 24 Ca 0.00 1.58 0.00 0.00 -1.04 0.00 0.00 55.73 56.27 3i1r s ARG 24 Cb 0.00 -1.97 0.00 0.00 -2.04 0.00 0.00 34.95 30.94 3i1r s ARG 24 CO 0.00 -1.09 0.00 0.34 -0.04 0.00 0.00 175.30 174.51 3i1r n PHE 25 N -1.79 0.00 -0.13 5.89 -0.00 -1.26 -4.74 117.46 115.42 3i1r n PHE 25 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.63 3i1r n PHE 25 Cb 0.51 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 40.11 3i1r n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i1r n GLY 26 N -0.06 -0.52 3.42 7.13 0.00 -1.26 -3.82 105.19 110.09 3i1r n GLY 26 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 3i1r n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 27 N -1.19 -0.24 3.37 -0.02 0.00 -1.22 -3.87 105.19 102.01 3i1r n GLY 27 Ca 0.09 1.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.94 3i1r n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1r s GLU 28 N -2.74 -2.17 0.60 1.61 2.56 -1.26 -2.01 118.70 115.29 3i1r s GLU 28 Ca 0.32 0.46 0.33 0.00 0.00 0.00 0.00 54.97 56.07 3i1r s GLU 28 Cb -0.04 -1.44 1.13 0.00 2.00 0.00 0.00 34.13 35.78 3i1r s GLU 28 CO 0.86 -4.45 1.38 0.77 -0.56 0.00 0.00 175.26 173.25 3i1r h SER 29 N -3.13 0.00 0.00 -1.70 0.02 -1.91 -3.19 113.55 103.64 3i1r h SER 29 Ca -0.53 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.29 3i1r h SER 29 Cb 1.34 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.76 3i1r h SER 29 CO 0.39 0.00 -0.05 0.55 -1.14 0.00 0.00 176.83 176.58 3i1r n VAL 30 N -3.43 0.00 -2.37 2.27 3.14 -1.25 -3.00 118.33 113.70 3i1r n VAL 30 Ca 0.29 -0.88 -0.27 0.00 -2.96 0.00 0.00 64.34 60.52 3i1r n VAL 30 Cb 1.65 1.12 0.03 0.00 -1.06 0.00 0.00 33.84 35.58 3i1r n VAL 30 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i1r s LEU 31 N -1.61 3.22 -0.10 6.55 1.43 -1.20 -4.50 118.68 122.46 3i1r s LEU 31 Ca 0.19 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.99 3i1r s LEU 31 Cb 0.28 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.79 3i1r s LEU 31 CO -0.14 -1.08 3.13 0.00 0.23 0.00 0.00 176.35 178.48 3i1r n ALA 32 N -2.61 5.95 -1.20 4.21 0.00 -1.26 -0.92 120.51 124.68 3i1r n ALA 32 Ca 0.05 -1.76 -0.24 0.00 0.00 0.00 0.00 53.44 51.49 3i1r n ALA 32 Cb 0.58 -2.03 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 3i1r n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 33 N 1.93 -0.13 0.00 0.00 0.00 -1.21 -4.04 105.19 101.74 3i1r n GLY 33 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i1r n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1r n SER 34 N 16.08 0.00 -0.36 1.61 2.88 -1.26 -4.56 113.62 128.01 3i1r n SER 34 Ca 0.42 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 58.01 3i1r n SER 34 Cb 0.45 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.96 3i1r n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1r n ILE 35 N 0.35 0.11 -1.50 2.46 3.06 -1.02 -2.96 119.36 119.86 3i1r n ILE 35 Ca 0.00 -0.55 -0.15 0.00 -2.50 0.00 0.00 62.75 59.55 3i1r n ILE 35 Cb 0.00 1.11 -0.12 0.00 0.54 0.00 0.00 39.64 41.17 3i1r n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3i1r n ILE 36 N 0.47 0.00 -0.26 9.51 5.41 -1.26 -4.22 119.36 129.01 3i1r n ILE 36 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.37 3i1r n ILE 36 Cb 0.24 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 3i1r n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i1r n VAL 37 N 7.54 0.00 -3.41 1.39 0.31 -1.25 -4.44 118.33 118.46 3i1r n VAL 37 Ca 0.49 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.63 3i1r n VAL 37 Cb 0.36 -1.05 0.07 0.00 -0.91 0.00 0.00 33.84 32.30 3i1r n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1r n ARG 38 N -0.74 -3.82 0.00 5.55 5.12 -1.26 -4.78 116.66 116.72 3i1r n ARG 38 Ca 0.00 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 3i1r n ARG 38 Cb 0.00 -5.57 0.00 0.00 -1.16 0.00 0.00 32.46 25.73 3i1r n ARG 38 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 3i1r n GLN 39 N -3.75 0.00 -1.37 5.56 7.27 -1.26 -4.82 117.38 119.01 3i1r n GLN 39 Ca -0.17 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.89 3i1r n GLN 39 Cb 0.64 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.29 3i1r n GLN 39 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3i1r n ARG 40 N -1.45 -1.77 0.00 3.69 0.00 -1.26 -3.58 116.66 112.29 3i1r n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1r n ARG 40 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 30.64 3i1r n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1r n GLY 41 N -0.23 -1.57 0.45 5.14 0.00 -1.26 -4.86 105.19 102.87 3i1r n GLY 41 Ca 0.00 0.40 0.39 0.00 0.00 0.00 0.00 46.02 46.81 3i1r n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i1r h THR 42 N 0.00 0.00 -3.44 2.61 2.02 -1.88 -3.35 112.91 108.87 3i1r h THR 42 Ca 0.00 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 3i1r h THR 42 Cb 0.00 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 66.17 3i1r h THR 42 CO 0.00 0.00 -0.52 -0.54 0.37 0.00 0.00 175.52 174.83 3i1r s LYS 43 N -5.31 0.32 -0.01 6.66 -0.14 -1.26 -4.78 119.74 115.22 3i1r s LYS 43 Ca -0.08 -0.08 0.03 0.00 -1.36 0.00 0.00 55.97 54.48 3i1r s LYS 43 Cb 0.32 0.14 -0.03 0.00 -1.68 0.00 0.00 37.83 36.57 3i1r s LYS 43 CO 0.82 -0.06 -0.06 -0.06 -0.76 0.00 0.00 175.35 175.22 3i1r s PHE 44 N -0.62 2.91 -0.15 3.18 0.08 -1.26 -4.43 117.98 117.70 3i1r s PHE 44 Ca -0.07 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 3i1r s PHE 44 Cb -0.04 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.70 3i1r s PHE 44 CO 0.01 0.38 2.12 -2.39 -0.10 0.00 0.00 175.22 175.23 3i1r n HIS 45 N 1.64 2.12 0.00 0.36 -0.00 -1.26 -1.97 115.22 116.12 3i1r n HIS 45 Ca -0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 3i1r n HIS 45 Cb 0.53 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.79 3i1r n HIS 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1r n ALA 46 N 9.86 0.00 -1.00 1.59 0.00 -0.91 -4.90 120.51 125.15 3i1r n ALA 46 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3i1r n ALA 46 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3i1r n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 47 N 5.00 -3.18 0.38 0.00 0.00 -1.24 -4.32 105.19 101.83 3i1r n GLY 47 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i1r n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r n ALA 48 N -3.00 2.54 -2.97 4.61 0.00 -1.26 -4.59 120.51 115.84 3i1r n ALA 48 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 3i1r n ALA 48 Cb 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.28 3i1r n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i1r s ASN 49 N -0.37 2.88 0.00 0.00 3.84 -1.26 -2.36 114.94 117.67 3i1r s ASN 49 Ca 0.02 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.60 3i1r s ASN 49 Cb 0.02 -1.01 0.00 0.00 -0.55 0.00 0.00 41.25 39.71 3i1r s ASN 49 CO 0.01 0.19 0.00 0.52 -2.79 0.00 0.00 177.10 175.03 3i1r n VAL 50 N 3.22 0.00 0.00 -5.21 0.31 -1.13 -2.15 118.33 113.38 3i1r n VAL 50 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3i1r n VAL 50 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3i1r n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1r n GLY 51 N 0.00 0.00 3.06 2.92 0.00 -1.26 -3.02 105.19 106.90 3i1r n GLY 51 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i1r n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r n GLY 53 N -0.40 -3.54 0.38 0.00 0.00 -0.84 -4.57 105.19 96.22 3i1r n GLY 53 Ca -0.11 -1.52 0.20 0.00 0.00 0.00 0.00 46.02 44.59 3i1r n GLY 53 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i1r h ARG 54 N -3.43 0.00 -2.13 1.61 -0.00 -1.92 0.12 114.38 108.64 3i1r h ARG 54 Ca -0.40 0.00 -0.79 0.00 -0.00 0.00 0.00 59.98 58.80 3i1r h ARG 54 Cb 1.25 0.00 -0.27 0.00 -0.00 0.00 0.00 29.97 30.94 3i1r h ARG 54 CO 0.25 0.00 1.01 -0.40 -0.00 0.00 0.00 179.97 180.83 3i1r n ASP 55 N -4.31 7.38 -3.81 0.08 5.75 -1.26 -4.91 116.55 115.47 3i1r n ASP 55 Ca 0.09 -3.76 -0.20 0.00 -0.01 0.00 0.00 54.79 50.91 3i1r n ASP 55 Cb 0.60 -1.11 0.01 0.00 -1.03 0.00 0.00 41.12 39.59 3i1r n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i1r n HIS 56 N -0.29 -0.64 -4.03 2.11 8.25 0.43 -4.48 115.22 116.58 3i1r n HIS 56 Ca 0.50 0.06 -0.31 0.00 -0.26 0.00 0.00 57.72 57.70 3i1r n HIS 56 Cb 0.25 -1.23 -0.16 0.00 1.12 0.00 0.00 29.99 29.98 3i1r n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i1r s THR 57 N -4.14 1.83 0.19 1.59 2.01 -1.24 -3.94 115.64 111.94 3i1r s THR 57 Ca 0.20 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 3i1r s THR 57 Cb -0.11 -1.90 -0.08 0.00 0.01 0.00 0.00 72.50 70.42 3i1r s THR 57 CO 0.43 0.14 1.08 -0.76 -0.69 0.00 0.00 174.62 174.82 3i1r s LEU 58 N 1.30 4.51 0.05 4.42 2.01 -1.16 -1.98 118.68 127.83 3i1r s LEU 58 Ca -0.03 2.09 -0.04 0.00 0.01 0.00 0.00 54.13 56.16 3i1r s LEU 58 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 42.40 3i1r s LEU 58 CO -0.08 -0.17 0.06 0.72 1.01 0.00 0.00 176.35 177.89 3i1r s PHE 59 N -0.43 0.29 -0.15 0.29 -0.12 -1.17 -3.28 117.98 113.42 3i1r s PHE 59 Ca 0.48 -0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 56.38 3i1r s PHE 59 Cb -0.29 -0.21 -0.08 0.00 -0.63 0.00 0.00 43.02 41.81 3i1r s PHE 59 CO 0.35 -0.37 2.11 0.00 -0.05 0.00 0.00 175.22 177.26 3i1r n ALA 60 N 0.55 1.56 0.18 1.99 0.00 -0.10 -2.83 120.51 121.87 3i1r n ALA 60 Ca -0.18 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.31 3i1r n ALA 60 Cb 0.59 -2.77 0.11 0.00 0.00 0.00 0.00 19.45 17.38 3i1r n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1r h LYS 61 N 12.91 0.00 -1.27 0.00 3.64 -1.70 -3.32 116.57 126.84 3i1r h LYS 61 Ca -0.43 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.10 3i1r h LYS 61 Cb 1.25 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.85 3i1r h LYS 61 CO 0.96 0.15 0.10 0.00 -2.27 0.00 0.00 179.45 178.39 3i1r s ALA 62 N -3.14 -2.53 0.19 5.00 0.00 -0.99 -4.89 121.76 115.39 3i1r s ALA 62 Ca 0.05 2.11 -0.32 0.00 0.00 0.00 0.00 51.96 53.80 3i1r s ALA 62 Cb 0.06 -2.00 -0.16 0.00 0.00 0.00 0.00 23.12 21.03 3i1r s ALA 62 CO 0.71 -0.98 1.08 -0.40 0.00 0.00 0.00 175.76 176.16 3i1r n ASP 63 N 5.15 1.05 0.00 0.00 5.75 -1.16 -4.90 116.55 122.44 3i1r n ASP 63 Ca -0.10 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.83 3i1r n ASP 63 Cb 0.51 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 3i1r n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1r n GLY 64 N 1.86 -0.58 3.90 6.12 0.00 -0.85 -4.83 105.19 110.82 3i1r n GLY 64 Ca 0.15 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3i1r n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r s LYS 65 N -0.12 3.55 0.35 1.61 1.02 0.80 -3.41 119.74 123.53 3i1r s LYS 65 Ca 0.00 0.25 -0.07 0.00 0.02 0.00 0.00 55.97 56.17 3i1r s LYS 65 Cb 0.00 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 3i1r s LYS 65 CO 0.00 -0.24 0.65 0.08 -0.92 0.00 0.00 175.35 174.92 3i1r s VAL 66 N -2.78 4.93 0.00 3.17 1.01 -1.20 -1.71 120.40 123.82 3i1r s VAL 66 Ca 0.48 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3i1r s VAL 66 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3i1r s VAL 66 CO 0.46 -0.43 0.00 1.17 0.00 0.00 0.00 175.10 176.29 3i1r n LYS 67 N -1.17 0.00 -1.58 2.72 3.00 -0.68 -3.74 118.16 116.70 3i1r n LYS 67 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1r n LYS 67 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.57 3i1r n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1r n PHE 68 N -0.88 -0.33 -2.35 5.64 3.72 -1.26 -4.82 117.46 117.20 3i1r n PHE 68 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3i1r n PHE 68 Cb 0.00 -1.68 0.00 0.00 -0.94 0.00 0.00 39.48 36.86 3i1r n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3i1r n GLU 69 N 0.10 2.77 -3.51 -1.08 1.02 0.02 -4.98 120.64 114.98 3i1r n GLU 69 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3i1r n GLU 69 Cb 0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 3i1r n GLU 69 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1r s VAL 70 N 1.23 -0.26 0.00 2.62 0.11 -1.09 -4.49 120.40 118.52 3i1r s VAL 70 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i1r s VAL 70 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i1r s VAL 70 CO 0.00 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 3i1r n LYS 71 N 4.34 1.68 0.00 1.54 4.01 -0.66 -4.98 118.16 124.11 3i1r n LYS 71 Ca -0.13 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.79 3i1r n LYS 71 Cb 0.55 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 35.20 3i1r n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i1r n GLY 72 N 5.00 0.08 2.14 0.72 0.00 -1.25 -2.63 105.19 109.24 3i1r n GLY 72 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 3i1r n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1r n PRO 73 N 0.11 0.47 -2.44 1.61 -0.04 -1.26 -4.64 135.00 128.82 3i1r n PRO 73 Ca 0.11 -0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 3i1r n PRO 73 Cb 0.46 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 3i1r n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i1r n LYS 74 N 2.44 -4.94 0.00 0.54 4.81 -1.26 -4.70 118.16 115.05 3i1r n LYS 74 Ca 0.08 3.64 0.00 0.00 -0.87 0.00 0.00 58.31 61.15 3i1r n LYS 74 Cb 0.22 -4.85 0.00 0.00 0.02 0.00 0.00 35.03 30.42 3i1r n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i1r n ASN 75 N 1.77 0.00 -0.48 3.14 2.85 -1.08 -4.95 115.26 116.50 3i1r n ASN 75 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 3i1r n ASN 75 Cb 0.27 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.29 3i1r n ASN 75 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i1r n ARG 76 N 14.00 -1.32 0.00 1.20 0.63 -1.26 -2.43 116.66 127.48 3i1r n ARG 76 Ca 0.00 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 3i1r n ARG 76 Cb 0.00 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 31.87 3i1r n ARG 76 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i1r n LYS 77 N -0.22 0.00 -0.52 -0.14 4.01 -1.26 -1.65 118.16 118.38 3i1r n LYS 77 Ca 0.00 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 3i1r n LYS 77 Cb 0.00 -0.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.85 3i1r n LYS 77 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3i1r n PHE 78 N -1.04 -1.03 -4.75 2.13 3.72 -1.24 -2.67 117.46 112.58 3i1r n PHE 78 Ca 0.00 0.56 -0.30 0.00 -0.05 0.00 0.00 57.45 57.66 3i1r n PHE 78 Cb 0.00 -2.08 -0.17 0.00 -0.94 0.00 0.00 39.48 36.29 3i1r n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i1r s ILE 79 N -0.88 1.73 0.00 4.37 1.01 -0.83 -0.80 121.20 125.79 3i1r s ILE 79 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3i1r s ILE 79 Cb 0.00 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3i1r s ILE 79 CO 0.00 0.49 0.00 -1.54 0.00 0.00 0.00 174.94 173.89 3i1r n SER 80 N 3.91 1.75 -3.69 3.58 3.41 -1.26 -2.87 113.62 118.46 3i1r n SER 80 Ca -0.20 -0.46 -0.22 0.00 -0.26 0.00 0.00 58.87 57.73 3i1r n SER 80 Cb 0.52 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.29 3i1r n SER 80 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i1r s ILE 81 N -0.11 0.05 0.57 -1.33 1.01 -1.26 -1.69 121.20 118.44 3i1r s ILE 81 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 3i1r s ILE 81 Cb 0.00 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3i1r s ILE 81 CO 0.00 0.11 0.88 -1.61 0.00 0.00 0.00 174.94 174.32 3i1r s GLU 82 N 2.10 3.01 0.38 2.79 2.02 -0.69 -4.07 118.70 124.24 3i1r s GLU 82 Ca 0.04 0.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.01 3i1r s GLU 82 Cb -0.13 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 3i1r s GLU 82 CO -0.05 -0.63 0.65 0.00 0.02 0.00 0.00 175.26 175.26 3i1r s ALA 83 N -2.95 3.54 0.00 5.21 0.00 -1.26 -0.14 121.76 126.16 3i1r s ALA 83 Ca 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3i1r s ALA 83 Cb -0.10 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.63 3i1r s ALA 83 CO 0.45 -0.05 0.09 -0.85 0.00 0.00 0.00 175.76 175.40