#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3p s SER 39 N 0.00 5.52 0.83 2.55 0.01 -1.26 -5.10 113.70 116.25 3g3p s SER 39 Ca 0.00 0.21 -0.12 0.00 1.31 0.00 0.00 55.95 57.35 3g3p s SER 39 Cb 0.00 -1.25 0.09 0.00 0.21 0.00 0.00 66.02 65.07 3g3p s SER 39 CO 0.00 -0.97 1.15 -0.76 0.41 0.00 0.00 173.24 173.08 3g3p s LEU 40 N -4.72 2.40 -0.03 2.44 1.43 -1.26 -4.57 118.68 114.36 3g3p s LEU 40 Ca 0.53 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 3g3p s LEU 40 Cb -0.10 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3g3p s LEU 40 CO 0.39 -2.05 -0.06 -0.31 0.23 0.00 0.00 176.35 174.55 3g3p s TYR 41 N -3.44 0.80 0.03 0.29 1.51 0.56 -0.89 117.35 116.20 3g3p s TYR 41 Ca 0.62 -0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 56.29 3g3p s TYR 41 Cb -0.12 -0.63 -0.06 0.00 -0.11 0.00 0.00 41.96 41.03 3g3p s TYR 41 CO 0.51 -0.14 0.52 -0.98 -1.11 0.00 0.00 175.55 174.35 3g3p s ARG 42 N 0.53 4.14 -0.18 -0.62 1.70 0.16 -1.11 118.95 123.58 3g3p s ARG 42 Ca -0.07 0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 55.70 3g3p s ARG 42 Cb -0.11 -3.26 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 3g3p s ARG 42 CO 0.00 0.59 0.19 0.08 -1.08 0.00 0.00 175.30 175.08 3g3p s VAL 43 N -0.86 5.38 0.04 4.99 1.01 -0.18 -1.43 120.40 129.34 3g3p s VAL 43 Ca 0.27 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.66 3g3p s VAL 43 Cb -0.18 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3g3p s VAL 43 CO 0.17 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.70 3g3p s LEU 44 N 0.31 2.31 -0.09 3.92 1.43 0.51 -0.68 118.68 126.39 3g3p s LEU 44 Ca 0.11 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3g3p s LEU 44 Cb -0.12 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 3g3p s LEU 44 CO 0.00 0.26 -0.10 -0.63 0.23 0.00 0.00 176.35 176.12 3g3p s ILE 45 N -0.83 3.41 0.09 -0.59 1.01 -0.73 -1.29 121.20 122.26 3g3p s ILE 45 Ca 0.13 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3g3p s ILE 45 Cb -0.10 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3g3p s ILE 45 CO 0.03 0.56 0.16 -0.76 0.00 0.00 0.00 174.94 174.93 3g3p s LEU 46 N -0.30 4.10 0.52 2.97 1.43 -0.57 -1.41 118.68 125.42 3g3p s LEU 46 Ca 0.03 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 3g3p s LEU 46 Cb -0.13 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 3g3p s LEU 46 CO 0.03 0.15 1.06 0.21 0.23 0.00 0.00 176.35 178.02 3g3p s ASN 47 N -2.61 6.10 0.24 2.29 3.04 -0.19 -4.39 114.94 119.43 3g3p s ASN 47 Ca 0.32 1.96 -0.13 0.00 0.04 0.00 0.00 52.86 55.05 3g3p s ASN 47 Cb -0.12 -2.56 -0.00 0.00 -1.54 0.00 0.00 41.25 37.03 3g3p s ASN 47 CO 0.25 -0.95 0.48 1.51 -3.04 0.00 0.00 177.10 175.36 3g3p s ASP 48 N -2.10 -0.10 -0.07 -4.21 1.47 -1.26 -4.94 116.67 105.47 3g3p s ASP 48 Ca 0.68 -0.90 0.14 0.00 1.18 0.00 0.00 52.55 53.65 3g3p s ASP 48 Cb -0.18 0.58 0.51 0.00 -0.34 0.00 0.00 42.92 43.49 3g3p s ASP 48 CO 0.25 -1.13 1.38 0.47 0.68 0.00 0.00 175.17 176.81 3g3p n ASP 49 N -0.38 3.39 0.00 2.11 8.00 -1.26 -4.38 116.55 124.03 3g3p n ASP 49 Ca -0.02 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.22 3g3p n ASP 49 Cb 0.62 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3g3p n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3g3p n TYR 50 N 0.79 0.00 -2.28 1.24 4.01 -1.26 -5.04 117.16 114.63 3g3p n TYR 50 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 3g3p n TYR 50 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 3g3p n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3g3p s THR 51 N -1.86 3.84 0.41 -0.72 2.01 -1.26 -4.97 115.64 113.08 3g3p s THR 51 Ca 0.00 1.20 -0.27 0.00 0.31 0.00 0.00 61.69 62.94 3g3p s THR 51 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 3g3p s THR 51 CO 0.00 -0.00 1.40 -2.84 -0.69 0.00 0.00 174.62 172.49 3g3p s PRO 52 N 2.39 3.93 0.30 4.92 0.02 -1.26 -4.89 135.00 140.41 3g3p s PRO 52 Ca 0.62 2.38 0.05 0.00 0.02 0.00 0.00 61.00 64.07 3g3p s PRO 52 Cb -0.30 -2.81 0.71 0.00 0.02 0.00 0.00 34.50 32.12 3g3p s PRO 52 CO 0.25 -0.60 1.77 0.00 -0.33 0.00 0.00 177.00 178.09 3g3p h ALA 53 N 2.70 1.59 -0.06 -1.55 0.00 -2.00 -0.86 119.26 119.09 3g3p h ALA 53 Ca -0.50 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3g3p h ALA 53 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3g3p h ALA 53 CO 0.63 -0.08 -0.16 0.93 0.00 0.00 0.00 179.25 180.57 3g3p h GLU 54 N 0.72 0.09 -0.03 0.00 3.07 -1.99 -1.19 114.58 115.25 3g3p h GLU 54 Ca 0.56 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 59.17 3g3p h GLU 54 Cb 0.88 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.78 3g3p h GLU 54 CO -0.39 0.26 -0.92 0.35 -1.40 0.00 0.00 179.01 176.91 3g3p h PHE 55 N 0.09 0.76 -0.52 4.33 3.57 -1.53 -1.31 116.94 122.33 3g3p h PHE 55 Ca 0.02 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 3g3p h PHE 55 Cb 0.34 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3g3p h PHE 55 CO 0.00 1.21 0.25 0.28 -2.23 0.00 0.00 178.31 177.82 3g3p h VAL 56 N 0.31 1.20 -0.62 1.41 2.07 -1.07 -0.20 116.25 119.35 3g3p h VAL 56 Ca -0.08 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3g3p h VAL 56 Cb 1.55 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3g3p h VAL 56 CO 0.17 0.22 0.40 0.58 0.02 0.00 0.00 177.57 178.96 3g3p h VAL 57 N 0.70 1.12 -0.29 2.57 2.07 -1.21 -1.51 116.25 119.70 3g3p h VAL 57 Ca 0.18 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3g3p h VAL 57 Cb 0.12 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3g3p h VAL 57 CO -0.02 0.15 0.14 0.22 0.02 0.00 0.00 177.57 178.07 3g3p h TYR 58 N 0.80 0.25 -0.78 1.57 3.20 -0.79 -1.03 116.97 120.20 3g3p h TYR 58 Ca 0.24 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3g3p h TYR 58 Cb -0.04 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3g3p h TYR 58 CO -0.04 0.13 0.52 0.28 -1.64 0.00 0.00 178.16 177.41 3g3p h VAL 59 N 0.29 1.20 -0.48 1.81 2.07 -0.74 0.49 116.25 120.89 3g3p h VAL 59 Ca 0.12 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3g3p h VAL 59 Cb 0.05 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3g3p h VAL 59 CO -0.09 0.20 -0.18 -0.07 0.02 0.00 0.00 177.57 177.45 3g3p h LEU 60 N 1.06 0.99 -0.17 2.57 3.38 -0.89 -0.45 115.31 121.80 3g3p h LEU 60 Ca 0.29 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3g3p h LEU 60 Cb -0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 3g3p h LEU 60 CO -0.06 1.15 0.04 -0.33 0.09 0.00 0.00 178.44 179.33 3g3p h GLU 61 N 0.82 0.27 0.00 1.13 5.08 -0.86 -2.04 114.58 118.99 3g3p h GLU 61 Ca 0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3g3p h GLU 61 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3g3p h GLU 61 CO 0.06 0.41 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.39 3g3p h ARG 62 N 0.08 -0.00 0.00 2.33 2.43 -0.82 -2.71 114.38 115.70 3g3p h ARG 62 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3g3p h ARG 62 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3g3p h ARG 62 CO 0.00 0.86 -0.97 1.19 -1.51 0.00 0.00 179.97 179.55 3g3p n PHE 63 N -4.67 0.22 -0.57 2.20 3.72 -0.19 -4.22 117.46 113.94 3g3p n PHE 63 Ca -0.10 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.38 3g3p n PHE 63 Cb 0.42 -0.39 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 3g3p n PHE 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3g3p n PHE 64 N -1.88 0.00 -3.44 1.38 3.72 -0.97 -5.02 117.46 111.26 3g3p n PHE 64 Ca 0.02 -0.35 -0.25 0.00 -0.05 0.00 0.00 57.45 56.82 3g3p n PHE 64 Cb 0.42 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.94 3g3p n PHE 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3g3p n ASN 65 N -0.40 -4.95 -4.78 4.37 3.02 -1.02 -4.92 115.26 106.59 3g3p n ASN 65 Ca 0.02 -0.48 -0.39 0.00 -0.03 0.00 0.00 54.58 53.69 3g3p n ASN 65 Cb 0.40 -4.00 -0.06 0.00 -0.61 0.00 0.00 39.78 35.51 3g3p n ASN 65 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g3p s LYS 66 N -6.12 4.41 0.95 3.52 -0.14 -0.80 -4.98 119.74 116.58 3g3p s LYS 66 Ca 0.46 0.97 -0.11 0.00 -1.36 0.00 0.00 55.97 55.93 3g3p s LYS 66 Cb -0.23 -3.27 0.16 0.00 -1.68 0.00 0.00 37.83 32.81 3g3p s LYS 66 CO 0.57 0.55 1.11 -1.54 -0.76 0.00 0.00 175.35 175.27 3g3p s SER 67 N -0.93 2.75 0.18 2.83 1.04 -1.26 -4.17 113.70 114.13 3g3p s SER 67 Ca 0.33 1.92 -0.13 0.00 0.48 0.00 0.00 55.95 58.55 3g3p s SER 67 Cb -0.21 -2.46 0.16 0.00 0.10 0.00 0.00 66.02 63.61 3g3p s SER 67 CO 0.23 -3.16 1.76 -0.09 0.98 0.00 0.00 173.24 172.95 3g3p h ARG 68 N -1.91 0.38 -0.51 4.02 2.43 -1.97 0.12 114.38 116.94 3g3p h ARG 68 Ca -0.48 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 3g3p h ARG 68 Cb 1.28 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3g3p h ARG 68 CO 0.46 0.25 0.11 1.49 -1.51 0.00 0.00 179.97 180.77 3g3p h GLU 69 N 0.39 0.82 -0.63 0.20 4.81 -1.99 -0.67 114.58 117.51 3g3p h GLU 69 Ca 0.23 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3g3p h GLU 69 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3g3p h GLU 69 CO -0.22 0.80 0.10 0.22 -0.73 0.00 0.00 179.01 179.17 3g3p h ASP 70 N 0.71 1.00 -0.70 1.04 1.82 -1.82 0.04 116.42 118.51 3g3p h ASP 70 Ca 0.16 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 3g3p h ASP 70 Cb 0.35 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 3g3p h ASP 70 CO 0.00 1.01 0.32 0.00 -1.61 0.00 0.00 179.24 178.97 3g3p h ALA 71 N 1.03 0.90 -0.55 -0.78 0.00 -0.59 -1.28 119.26 118.00 3g3p h ALA 71 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3g3p h ALA 71 Cb 0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3g3p h ALA 71 CO 0.01 0.48 0.19 1.15 0.00 0.00 0.00 179.25 181.08 3g3p h THR 72 N 0.98 1.23 -0.40 0.00 2.02 -0.79 -0.41 112.91 115.53 3g3p h THR 72 Ca 0.24 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3g3p h THR 72 Cb 0.14 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3g3p h THR 72 CO -0.03 0.28 0.24 -0.09 0.37 0.00 0.00 175.52 176.30 3g3p h ARG 73 N 0.75 0.48 -0.35 6.66 2.43 -0.60 -1.00 114.38 122.75 3g3p h ARG 73 Ca 0.18 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 3g3p h ARG 73 Cb 0.25 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3g3p h ARG 73 CO -0.01 0.32 -0.38 0.82 -1.51 0.00 0.00 179.97 179.21 3g3p h ILE 74 N 0.49 1.28 -0.81 1.20 2.04 -1.10 -2.39 117.51 118.22 3g3p h ILE 74 Ca 0.16 -1.55 0.07 0.00 1.00 0.00 0.00 64.86 64.53 3g3p h ILE 74 Cb -0.00 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3g3p h ILE 74 CO -0.07 0.51 0.48 -0.03 0.00 0.00 0.00 178.15 179.05 3g3p h MET 75 N 0.67 0.84 -0.11 2.37 4.05 -0.77 -0.31 114.93 121.67 3g3p h MET 75 Ca 0.05 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 3g3p h MET 75 Cb 0.97 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 3g3p h MET 75 CO 0.09 0.56 -0.31 -0.07 0.23 0.00 0.00 176.91 177.41 3g3p h LEU 76 N 0.86 0.21 -0.53 3.39 3.38 -1.01 -1.10 115.31 120.51 3g3p h LEU 76 Ca 0.36 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3g3p h LEU 76 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3g3p h LEU 76 CO -0.19 0.51 -0.09 -0.74 0.09 0.00 0.00 178.44 178.02 3g3p h HIS 77 N 0.18 1.12 -0.38 1.13 2.76 -0.75 -1.39 115.15 117.83 3g3p h HIS 77 Ca 0.03 -0.23 0.04 0.00 -2.20 0.00 0.00 60.37 58.01 3g3p h HIS 77 Cb 0.64 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 3g3p h HIS 77 CO 0.01 1.04 0.15 0.28 -1.30 0.00 0.00 177.93 178.11 3g3p h VAL 78 N 0.88 0.92 -0.37 5.26 2.07 -0.51 0.94 116.25 125.43 3g3p h VAL 78 Ca 0.14 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3g3p h VAL 78 Cb 0.65 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3g3p h VAL 78 CO 0.05 0.06 0.19 0.45 0.02 0.00 0.00 177.57 178.34 3g3p h HIS 79 N 0.32 0.52 0.05 1.57 -0.00 -0.97 -0.57 115.15 116.07 3g3p h HIS 79 Ca 0.17 -0.02 -0.31 0.00 -0.00 0.00 0.00 60.37 60.21 3g3p h HIS 79 Cb 0.13 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 3g3p h HIS 79 CO -0.13 0.42 -1.73 1.96 -0.00 0.00 0.00 177.93 178.45 3g3p h GLN 80 N 0.47 0.10 0.00 2.45 4.20 -1.13 -3.38 115.11 117.83 3g3p h GLN 80 Ca 0.13 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3g3p h GLN 80 Cb 0.08 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3g3p h GLN 80 CO -0.02 0.79 -1.03 0.09 -0.67 0.00 0.00 178.83 177.99 3g3p n ASN 81 N -3.23 1.01 0.00 1.46 5.03 0.31 -5.00 115.26 114.84 3g3p n ASN 81 Ca -0.20 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.71 3g3p n ASN 81 Cb 1.04 1.24 0.00 0.00 -1.02 0.00 0.00 39.78 41.04 3g3p n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g3p n GLY 82 N 1.45 0.70 3.54 7.41 0.00 -0.22 -5.01 105.19 113.06 3g3p n GLY 82 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3g3p n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3p s VAL 83 N -2.22 0.00 0.03 1.61 0.11 -1.23 -1.02 120.40 117.68 3g3p s VAL 83 Ca 0.00 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 3g3p s VAL 83 Cb 0.00 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 3g3p s VAL 83 CO 0.00 -0.01 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.89 3g3p s GLY 84 N -0.79 0.35 -0.20 6.54 0.00 -0.50 -3.94 107.32 108.78 3g3p s GLY 84 Ca -0.08 -0.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 3g3p s GLY 84 CO 0.08 -0.78 0.39 0.14 0.00 0.00 0.00 173.10 172.92 3g3p s VAL 85 N -1.69 5.21 -0.16 1.40 1.01 -1.26 -1.78 120.40 123.13 3g3p s VAL 85 Ca -0.12 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3g3p s VAL 85 Cb -0.08 -3.72 -0.23 0.00 0.00 0.00 0.00 36.38 32.35 3g3p s VAL 85 CO -0.01 0.26 0.19 0.00 0.00 0.00 0.00 175.10 175.54 3g3p n GLY 87 N 1.85 0.76 2.95 0.00 0.00 -1.24 -4.88 105.19 104.63 3g3p n GLY 87 Ca -0.32 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 3g3p n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3p s VAL 88 N -2.00 0.87 0.20 1.61 1.01 -1.26 -1.01 120.40 119.82 3g3p s VAL 88 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3g3p s VAL 88 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3g3p s VAL 88 CO 0.00 0.31 0.23 -0.31 0.00 0.00 0.00 175.10 175.33 3g3p s TYR 89 N 0.99 0.79 0.88 5.22 2.02 -0.26 -4.91 117.35 122.08 3g3p s TYR 89 Ca -0.09 -1.09 -0.11 0.00 -0.37 0.00 0.00 57.07 55.41 3g3p s TYR 89 Cb -0.15 -0.28 0.13 0.00 -0.40 0.00 0.00 41.96 41.26 3g3p s TYR 89 CO 0.00 -0.73 1.15 0.95 -1.57 0.00 0.00 175.55 175.35 3g3p s THR 90 N -4.08 2.20 0.16 -0.71 -4.23 -1.26 -0.33 115.64 107.39 3g3p s THR 90 Ca 0.29 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.69 3g3p s THR 90 Cb 0.04 -2.20 0.07 0.00 1.34 0.00 0.00 72.50 71.75 3g3p s THR 90 CO 0.08 -0.08 1.67 0.22 -0.54 0.00 0.00 174.62 175.97 3g3p h TYR 91 N -1.62 -0.24 -0.43 3.99 3.20 -1.93 -0.23 116.97 119.72 3g3p h TYR 91 Ca -0.44 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.39 3g3p h TYR 91 Cb 1.27 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 3g3p h TYR 91 CO 0.51 -0.17 -0.03 0.93 -1.64 0.00 0.00 178.16 177.75 3g3p h GLU 92 N -0.03 0.71 -0.24 1.82 3.07 -1.99 -0.81 114.58 117.11 3g3p h GLU 92 Ca 0.17 -0.19 -0.20 0.00 -0.50 0.00 0.00 59.36 58.64 3g3p h GLU 92 Cb 0.28 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3g3p h GLU 92 CO -0.37 0.75 -0.62 0.28 -1.40 0.00 0.00 179.01 177.64 3g3p h VAL 93 N 0.66 1.28 -0.64 3.13 2.07 -1.78 -2.14 116.25 118.83 3g3p h VAL 93 Ca 0.13 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.86 3g3p h VAL 93 Cb 0.46 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3g3p h VAL 93 CO 0.02 0.58 0.40 0.00 0.02 0.00 0.00 177.57 178.60 3g3p h ALA 94 N 0.67 0.83 -1.01 1.67 0.00 -0.69 -0.15 119.26 120.58 3g3p h ALA 94 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3g3p h ALA 94 Cb 1.23 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3g3p h ALA 94 CO 0.13 0.17 0.65 0.93 0.00 0.00 0.00 179.25 181.13 3g3p h GLU 95 N 0.80 1.16 -0.32 0.00 5.08 -1.04 -0.75 114.58 119.50 3g3p h GLU 95 Ca 0.25 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3g3p h GLU 95 Cb -0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3g3p h GLU 95 CO -0.09 0.76 -0.01 1.15 -1.00 0.00 0.00 179.01 179.82 3g3p h THR 96 N 1.19 1.26 -0.30 1.13 2.02 -0.60 -1.63 112.91 115.98 3g3p h THR 96 Ca 0.43 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3g3p h THR 96 Cb 0.15 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3g3p h THR 96 CO -0.17 0.32 0.14 0.11 0.37 0.00 0.00 175.52 176.29 3g3p h LYS 97 N 0.37 0.44 -0.40 6.66 1.79 -0.68 -0.28 116.57 124.47 3g3p h LYS 97 Ca 0.09 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 3g3p h LYS 97 Cb 0.46 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 3g3p h LYS 97 CO 0.02 0.43 0.18 0.28 -1.08 0.00 0.00 179.45 179.27 3g3p h VAL 98 N 0.35 0.94 -0.57 0.50 2.07 -1.09 -1.01 116.25 117.44 3g3p h VAL 98 Ca 0.10 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3g3p h VAL 98 Cb 0.14 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3g3p h VAL 98 CO -0.01 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.90 3g3p h ALA 99 N 1.23 0.74 -0.47 1.67 0.00 -1.04 -1.39 119.26 120.00 3g3p h ALA 99 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3g3p h ALA 99 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3g3p h ALA 99 CO -0.14 0.32 0.06 1.96 0.00 0.00 0.00 179.25 181.45 3g3p h GLN 100 N 0.77 0.73 -0.22 0.00 4.20 -0.66 -0.68 115.11 119.25 3g3p h GLN 100 Ca 0.19 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3g3p h GLN 100 Cb 0.15 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3g3p h GLN 100 CO -0.02 0.70 -0.20 0.28 -0.67 0.00 0.00 178.83 178.92 3g3p h VAL 101 N 0.70 1.32 -0.39 -0.54 2.07 -0.77 -1.64 116.25 117.00 3g3p h VAL 101 Ca 0.15 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3g3p h VAL 101 Cb 0.33 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3g3p h VAL 101 CO 0.01 0.42 0.14 0.40 0.02 0.00 0.00 177.57 178.56 3g3p h ILE 102 N 0.22 1.20 -0.11 4.57 1.08 -1.06 0.11 117.51 123.52 3g3p h ILE 102 Ca 0.04 -0.64 0.04 0.00 -0.39 0.00 0.00 64.86 63.90 3g3p h ILE 102 Cb 0.74 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 3g3p h ILE 102 CO 0.05 0.23 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.84 3g3p h ASP 103 N 0.49 -0.38 -0.31 1.72 3.58 -1.12 -0.81 116.42 119.60 3g3p h ASP 103 Ca 0.13 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3g3p h ASP 103 Cb 0.21 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3g3p h ASP 103 CO -0.01 -0.16 0.17 -1.28 -2.88 0.00 0.00 179.24 175.08 3g3p h SER 104 N -0.15 0.39 0.10 2.28 0.87 -1.05 -2.21 113.55 113.78 3g3p h SER 104 Ca 0.08 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3g3p h SER 104 Cb 0.27 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3g3p h SER 104 CO -0.20 0.37 -0.05 0.00 -0.53 0.00 0.00 176.83 176.41 3g3p h ALA 105 N 1.04 -0.14 -0.40 6.23 0.00 -0.49 -1.59 119.26 123.92 3g3p h ALA 105 Ca 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3g3p h ALA 105 Cb 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3g3p h ALA 105 CO -0.02 -0.58 -0.16 0.00 0.00 0.00 0.00 179.25 178.49 3g3p h ARG 106 N -0.14 0.73 0.00 0.00 2.47 -1.13 0.19 114.38 116.50 3g3p h ARG 106 Ca -0.01 -0.26 -0.05 0.00 -1.26 0.00 0.00 59.98 58.40 3g3p h ARG 106 Cb 0.11 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3g3p h ARG 106 CO 0.02 0.85 -0.22 0.00 0.56 0.00 0.00 179.97 181.18 3g3p h ARG 107 N 0.66 0.00 -0.59 0.04 3.08 -1.26 -0.96 114.38 115.35 3g3p h ARG 107 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3g3p h ARG 107 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3g3p h ARG 107 CO 0.04 0.22 0.00 0.72 -1.07 0.00 0.00 179.97 179.88 3g3p n HIS 108 N -3.67 0.97 -3.65 3.04 8.25 -0.61 -4.94 115.22 114.61 3g3p n HIS 108 Ca -0.01 -0.40 -0.25 0.00 -0.26 0.00 0.00 57.72 56.80 3g3p n HIS 108 Cb 0.34 -0.16 0.07 0.00 1.12 0.00 0.00 29.99 31.36 3g3p n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g3p n GLN 109 N 0.72 -7.43 -5.25 -0.41 6.02 -0.36 -5.01 117.38 105.65 3g3p n GLN 109 Ca 0.17 0.79 -0.31 0.00 -0.01 0.00 0.00 57.00 57.64 3g3p n GLN 109 Cb 0.62 -5.81 -0.16 0.00 1.02 0.00 0.00 30.24 25.91 3g3p n GLN 109 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3g3p s HIS 110 N -3.32 2.31 -1.60 1.08 3.76 -0.02 -5.00 115.29 112.49 3g3p s HIS 110 Ca 0.56 -0.43 0.06 0.00 -0.15 0.00 0.00 55.06 55.10 3g3p s HIS 110 Cb -0.26 -1.48 0.22 0.00 1.11 0.00 0.00 32.58 32.18 3g3p s HIS 110 CO 0.75 -0.02 1.08 -0.35 -0.85 0.00 0.00 174.74 175.35 3g3p n PRO 111 N 2.36 1.76 -1.59 8.40 -0.04 -1.26 -3.56 135.00 141.07 3g3p n PRO 111 Ca -0.16 -0.89 -0.58 0.00 -0.04 0.00 0.00 63.50 61.83 3g3p n PRO 111 Cb 0.51 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 3g3p n PRO 111 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3g3p n LEU 112 N 0.19 0.98 -4.76 1.53 7.94 -1.26 -4.94 117.00 116.67 3g3p n LEU 112 Ca 0.08 1.14 -0.36 0.00 -1.11 0.00 0.00 56.01 55.76 3g3p n LEU 112 Cb 0.31 -1.02 -0.07 0.00 0.53 0.00 0.00 43.42 43.16 3g3p n LEU 112 CO 0.07 -1.30 -0.12 -1.10 -1.11 0.00 0.00 177.39 173.83 3g3p s GLN 113 N 1.04 4.06 -0.04 1.96 -1.52 -1.26 -4.86 119.66 119.03 3g3p s GLN 113 Ca 0.92 -0.08 0.03 0.00 -1.95 0.00 0.00 55.36 54.27 3g3p s GLN 113 Cb -1.18 -3.37 0.01 0.00 -0.22 0.00 0.00 33.01 28.24 3g3p s GLN 113 CO 0.59 0.39 -0.10 0.00 -0.25 0.00 0.00 175.29 175.91 3g3p s THR 115 N 0.36 0.00 0.05 0.00 -1.32 -0.41 -4.98 115.64 109.34 3g3p s THR 115 Ca -0.07 -1.65 0.01 0.00 -1.21 0.00 0.00 61.69 58.77 3g3p s THR 115 Cb -0.11 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 3g3p s THR 115 CO 0.01 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.36 3g3p s MET 116 N -3.02 0.56 0.04 7.08 0.23 -1.26 -0.36 119.30 122.57 3g3p s MET 116 Ca 0.32 -0.90 0.01 0.00 -1.03 0.00 0.00 55.69 54.09 3g3p s MET 116 Cb -0.00 -0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 33.13 3g3p s MET 116 CO 0.22 -0.00 -0.05 -1.21 -2.03 0.00 0.00 175.02 171.95 3g3p s GLU 117 N -2.28 0.50 0.26 3.16 2.02 -0.51 -4.99 118.70 116.86 3g3p s GLU 117 Ca -0.05 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.77 3g3p s GLU 117 Cb -0.05 -0.02 -0.13 0.00 0.10 0.00 0.00 34.13 34.03 3g3p s GLU 117 CO -0.02 -0.03 1.36 1.63 0.02 0.00 0.00 175.26 178.22 3g3p n LYS 118 N 1.05 1.99 0.00 1.61 5.02 -1.26 -0.66 118.16 125.90 3g3p n LYS 118 Ca -0.20 0.71 0.15 0.00 -2.02 0.00 0.00 58.31 56.95 3g3p n LYS 118 Cb 0.57 -2.33 0.82 0.00 -0.02 0.00 0.00 35.03 34.07 3g3p n LYS 118 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41