#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i07 n ARG 2 N 0.00 0.06 -0.00 2.12 1.85 -1.26 -3.24 116.66 116.19 3i07 n ARG 2 Ca 0.00 0.20 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 3i07 n ARG 2 Cb 0.00 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 29.75 3i07 n ARG 2 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i07 n ASN 3 N -1.45 0.05 -4.65 2.89 5.03 -1.26 -4.91 115.26 110.96 3i07 n ASN 3 Ca 0.05 -0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.07 3i07 n ASN 3 Cb 0.18 1.92 -0.03 0.00 -1.02 0.00 0.00 39.78 40.82 3i07 n ASN 3 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i07 s LYS 4 N -3.50 4.19 -0.55 3.52 1.02 -1.20 -4.98 119.74 118.24 3i07 s LYS 4 Ca -0.07 1.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.79 3i07 s LYS 4 Cb 0.14 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 3i07 s LYS 4 CO 0.90 -0.63 1.80 1.21 -0.92 0.00 0.00 175.35 177.72 3i07 s ASN 5 N 1.32 5.48 0.32 2.83 2.47 -1.26 -4.89 114.94 121.21 3i07 s ASN 5 Ca 0.41 0.53 0.25 0.00 0.42 0.00 0.00 52.86 54.47 3i07 s ASN 5 Cb -0.15 -2.53 0.71 0.00 -1.45 0.00 0.00 41.25 37.83 3i07 s ASN 5 CO 0.08 -2.18 1.73 0.24 -3.72 0.00 0.00 177.10 173.25 3i07 h MET 6 N 14.16 0.00 -0.89 0.43 2.86 -1.97 -3.43 114.93 126.09 3i07 h MET 6 Ca -0.28 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.53 3i07 h MET 6 Cb 1.16 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.60 3i07 h MET 6 CO 1.18 0.00 0.03 -1.54 1.06 0.00 0.00 176.91 177.63 3i07 s SER 7 N -5.16 -0.81 -0.09 1.22 1.04 -1.26 -5.13 113.70 103.50 3i07 s SER 7 Ca 0.08 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 56.95 3i07 s SER 7 Cb 0.09 1.77 -0.04 0.00 0.10 0.00 0.00 66.02 67.95 3i07 s SER 7 CO 0.60 -0.15 1.45 -0.89 0.98 0.00 0.00 173.24 175.23 3i07 s THR 8 N 2.77 3.90 -0.06 2.02 2.01 -1.26 -4.87 115.64 120.14 3i07 s THR 8 Ca 0.04 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.19 3i07 s THR 8 Cb -0.10 -3.72 -0.25 0.00 0.01 0.00 0.00 72.50 68.44 3i07 s THR 8 CO -0.16 -0.09 0.59 0.40 -0.69 0.00 0.00 174.62 174.67 3i07 h ILE 9 N 5.45 0.81 -3.00 1.82 2.04 -2.00 -3.47 117.51 119.17 3i07 h ILE 9 Ca -0.34 -2.59 -0.16 0.00 1.00 0.00 0.00 64.86 62.77 3i07 h ILE 9 Cb 1.15 2.50 -0.27 0.00 -0.74 0.00 0.00 36.82 39.46 3i07 h ILE 9 CO 0.95 0.68 -0.40 -0.47 0.00 0.00 0.00 178.15 178.92 3i07 s TYR 10 N -2.59 -0.35 -0.00 1.37 5.04 -1.26 -5.16 117.35 114.40 3i07 s TYR 10 Ca -0.11 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.36 3i07 s TYR 10 Cb 0.07 0.11 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 3i07 s TYR 10 CO 0.81 -0.19 -0.08 -1.14 -1.34 0.00 0.00 175.55 173.61 3i07 s GLN 11 N 0.56 0.61 0.28 4.97 0.74 -1.26 -5.16 119.66 120.40 3i07 s GLN 11 Ca -0.03 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.10 3i07 s GLN 11 Cb -0.05 -0.57 -0.04 0.00 1.10 0.00 0.00 33.01 33.45 3i07 s GLN 11 CO -0.03 0.15 0.19 -0.08 -0.55 0.00 0.00 175.29 174.97 3i07 s THR 12 N -0.27 0.10 0.05 -0.34 -1.32 -1.26 -5.18 115.64 107.42 3i07 s THR 12 Ca 0.02 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.28 3i07 s THR 12 Cb -0.03 -2.50 0.05 0.00 -1.51 0.00 0.00 72.50 68.50 3i07 s THR 12 CO -0.00 0.00 0.51 -0.94 -2.21 0.00 0.00 174.62 171.98 3i07 s SER 13 N -3.30 -0.43 0.03 8.08 1.04 -1.26 -5.08 113.70 112.78 3i07 s SER 13 Ca 0.39 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.84 3i07 s SER 13 Cb 0.05 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3i07 s SER 13 CO 0.19 -0.73 0.23 0.00 0.98 0.00 0.00 173.24 173.91 3i07 s ALA 14 N -2.55 -0.50 -0.04 5.32 0.00 -1.26 -0.71 121.76 122.02 3i07 s ALA 14 Ca -0.05 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3i07 s ALA 14 Cb -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 3i07 s ALA 14 CO -0.03 -0.34 -0.17 0.95 0.00 0.00 0.00 175.76 176.18 3i07 s THR 15 N -2.20 1.45 0.02 0.00 -4.23 -0.24 -4.91 115.64 105.53 3i07 s THR 15 Ca -0.08 -0.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3i07 s THR 15 Cb -0.03 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 3i07 s THR 15 CO -0.02 0.42 -0.07 0.00 -0.54 0.00 0.00 174.62 174.41 3i07 s ALA 16 N -0.00 0.56 0.00 3.99 0.00 -1.26 -2.35 121.76 122.70 3i07 s ALA 16 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3i07 s ALA 16 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3i07 s ALA 16 CO 0.02 0.06 0.00 0.43 0.00 0.00 0.00 175.76 176.27 3i07 n SER 17 N 2.23 1.46 -0.89 0.00 7.64 -1.26 -4.77 113.62 118.03 3i07 n SER 17 Ca -0.17 -0.20 0.01 0.00 1.01 0.00 0.00 58.87 59.52 3i07 n SER 17 Cb 0.56 0.70 0.21 0.00 -1.01 0.00 0.00 64.21 64.67 3i07 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i07 n ALA 18 N -0.84 3.73 -0.63 -0.43 0.00 -1.26 -5.07 120.51 116.00 3i07 n ALA 18 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.47 3i07 n ALA 18 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i07 n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i07 n GLY 19 N -1.05 3.28 0.00 0.00 0.00 -1.26 -1.82 105.19 104.34 3i07 n GLY 19 Ca 0.27 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3i07 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i07 n ARG 20 N 14.00 0.53 -3.39 1.61 1.74 -1.26 -4.41 116.66 125.49 3i07 n ARG 20 Ca 0.00 0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.85 3i07 n ARG 20 Cb 0.00 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.85 3i07 n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i07 n ASN 21 N -1.18 0.46 0.00 0.55 2.85 -0.75 -2.82 115.26 114.37 3i07 n ASN 21 Ca 0.15 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 51.96 3i07 n ASN 21 Cb 0.16 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.57 3i07 n ASN 21 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i07 n GLY 22 N 2.11 -0.55 3.87 8.20 0.00 -0.89 -4.81 105.19 113.13 3i07 n GLY 22 Ca 0.26 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3i07 n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i07 s VAL 23 N -3.00 4.79 -0.05 1.61 -7.23 -1.26 -0.69 120.40 114.57 3i07 s VAL 23 Ca 0.00 0.64 -0.07 0.00 -1.81 0.00 0.00 61.98 60.73 3i07 s VAL 23 Cb 0.00 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.25 3i07 s VAL 23 CO 0.00 -0.42 0.18 0.54 -0.31 0.00 0.00 175.10 175.10 3i07 s VAL 24 N -2.24 0.03 -0.03 1.32 0.11 -0.17 -4.33 120.40 115.09 3i07 s VAL 24 Ca 0.51 -0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 3i07 s VAL 24 Cb -0.10 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3i07 s VAL 24 CO 0.28 -0.14 0.42 -0.94 -3.33 0.00 0.00 175.10 171.39 3i07 s SER 25 N -0.46 -0.34 0.59 3.54 1.04 -0.99 -0.99 113.70 116.09 3i07 s SER 25 Ca -0.06 0.31 -0.19 0.00 0.48 0.00 0.00 55.95 56.50 3i07 s SER 25 Cb -0.04 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3i07 s SER 25 CO 0.01 -0.48 1.21 0.42 0.98 0.00 0.00 173.24 175.38 3i07 s THR 26 N -1.20 2.65 0.40 2.02 -4.23 -0.26 -1.08 115.64 113.94 3i07 s THR 26 Ca -0.12 0.40 0.17 0.00 -1.18 0.00 0.00 61.69 60.96 3i07 s THR 26 Cb -0.04 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.82 3i07 s THR 26 CO 0.06 -0.09 1.95 -0.33 -0.54 0.00 0.00 174.62 175.67 3i07 h GLU 27 N 0.90 0.00 0.00 3.99 5.08 -1.27 0.18 114.58 123.46 3i07 h GLU 27 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3i07 h GLU 27 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3i07 h GLU 27 CO 0.55 0.24 0.00 -0.40 -1.00 0.00 0.00 179.01 178.40 3i07 n ASP 28 N -4.05 0.00 -0.79 1.42 5.68 -1.26 -4.91 116.55 112.64 3i07 n ASP 28 Ca -0.02 -1.06 -0.10 0.00 -0.50 0.00 0.00 54.79 53.10 3i07 n ASP 28 Cb 0.31 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.24 3i07 n ASP 28 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3i07 n LYS 29 N -0.96 -1.47 -0.12 0.11 4.76 0.64 -4.90 118.16 116.22 3i07 n LYS 29 Ca 0.22 0.83 -0.04 0.00 -2.87 0.00 0.00 58.31 56.45 3i07 n LYS 29 Cb 0.10 -5.12 0.16 0.00 -1.84 0.00 0.00 35.03 28.33 3i07 n LYS 29 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i07 h LEU 30 N 0.00 0.77 -8.07 -0.35 3.38 -1.91 -3.40 115.31 105.73 3i07 h LEU 30 Ca -0.21 -0.18 -0.67 0.00 0.09 0.00 0.00 57.88 56.91 3i07 h LEU 30 Cb 1.05 -0.20 -0.35 0.00 0.09 0.00 0.00 40.66 41.25 3i07 h LEU 30 CO 0.31 0.83 -0.84 -0.22 0.09 0.00 0.00 178.44 178.61 3i07 s LEU 31 N -9.19 2.39 -0.07 1.67 2.96 -1.26 -5.02 118.68 110.16 3i07 s LEU 31 Ca -0.10 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.09 3i07 s LEU 31 Cb 0.15 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.34 3i07 s LEU 31 CO 0.81 -0.03 -0.05 -1.61 -1.32 0.00 0.00 176.35 174.15 3i07 s GLU 32 N 1.28 1.08 0.04 1.98 2.02 -1.26 -1.10 118.70 122.74 3i07 s GLU 32 Ca 0.03 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.90 3i07 s GLU 32 Cb -0.14 -1.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 3i07 s GLU 32 CO -0.11 -0.15 -0.07 -0.51 0.02 0.00 0.00 175.26 174.44 3i07 s LEU 33 N 1.28 2.27 0.06 1.80 1.43 -0.16 -5.02 118.68 120.34 3i07 s LEU 33 Ca -0.05 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 3i07 s LEU 33 Cb -0.14 -0.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.91 3i07 s LEU 33 CO -0.02 -0.24 0.44 0.20 0.23 0.00 0.00 176.35 176.96 3i07 s ASN 34 N -1.63 6.75 0.06 2.29 0.01 -1.26 -1.00 114.94 120.16 3i07 s ASN 34 Ca -0.10 0.92 0.10 0.00 -0.71 0.00 0.00 52.86 53.06 3i07 s ASN 34 Cb -0.09 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 3i07 s ASN 34 CO -0.00 0.22 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.78 3i07 s LEU 35 N -1.61 2.22 0.17 0.60 1.43 0.14 -3.45 118.68 118.17 3i07 s LEU 35 Ca 0.31 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3i07 s LEU 35 Cb -0.15 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 3i07 s LEU 35 CO 0.17 0.24 0.26 -0.94 0.23 0.00 0.00 176.35 176.31 3i07 s SER 36 N -1.41 0.07 0.31 2.29 1.04 -0.55 -2.09 113.70 113.35 3i07 s SER 36 Ca 0.12 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.34 3i07 s SER 36 Cb -0.10 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 3i07 s SER 36 CO 0.03 -0.89 1.18 -0.31 0.98 0.00 0.00 173.24 174.23 3i07 s TYR 37 N -3.98 3.35 0.81 5.02 2.02 -1.25 -4.45 117.35 118.87 3i07 s TYR 37 Ca 0.19 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.37 3i07 s TYR 37 Cb 0.04 -3.43 0.08 0.00 -0.40 0.00 0.00 41.96 38.24 3i07 s TYR 37 CO 0.01 -1.07 1.09 -1.25 -1.57 0.00 0.00 175.55 172.76 3i07 s PRO 38 N -1.63 1.93 0.29 -1.71 0.04 -1.26 -1.49 135.00 131.16 3i07 s PRO 38 Ca 0.47 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.50 3i07 s PRO 38 Cb -0.35 -1.88 0.70 0.00 0.04 0.00 0.00 34.50 33.02 3i07 s PRO 38 CO 0.45 -1.81 1.75 0.87 0.04 0.00 0.00 177.00 178.30 3i07 h LYS 39 N -1.24 0.62 -0.15 4.56 1.79 -1.84 -0.20 116.57 120.10 3i07 h LYS 39 Ca -0.46 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.01 3i07 h LYS 39 Cb 1.25 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 3i07 h LYS 39 CO 0.54 0.41 0.16 0.93 -1.08 0.00 0.00 179.45 180.41 3i07 h GLU 40 N 0.63 0.00 -0.39 3.15 3.07 -1.91 0.01 114.58 119.14 3i07 h GLU 40 Ca 0.55 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.41 3i07 h GLU 40 Cb 0.91 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3i07 h GLU 40 CO -0.42 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.87 3i07 n MET 41 N -3.85 3.67 -0.58 2.33 2.81 -0.22 -4.94 117.12 116.33 3i07 n MET 41 Ca 0.01 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.92 3i07 n MET 41 Cb 0.27 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 3i07 n MET 41 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i07 n GLY 42 N -0.10 0.73 0.64 3.03 0.00 -0.01 -4.86 105.19 104.63 3i07 n GLY 42 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 3i07 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i07 n GLY 43 N -2.46 1.51 0.14 -0.02 0.00 -0.43 -4.95 105.19 98.98 3i07 n GLY 43 Ca 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 46.02 43.96 3i07 n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i07 h SER 44 N -0.03 0.00 -4.11 1.61 4.64 -1.78 -3.29 113.55 110.59 3i07 h SER 44 Ca -0.05 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.89 3i07 h SER 44 Cb 0.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3i07 h SER 44 CO 0.06 0.53 -0.54 0.61 -0.87 0.00 0.00 176.83 176.62 3i07 n GLY 45 N 1.17 -0.51 0.06 -0.77 0.00 -0.56 -4.71 105.19 99.86 3i07 n GLY 45 Ca 0.02 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3i07 n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i07 n THR 46 N -4.12 0.00 -4.06 2.61 -2.24 -1.26 -4.94 114.28 100.27 3i07 n THR 46 Ca -0.14 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 3i07 n THR 46 Cb 0.63 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3i07 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i07 s ALA 47 N -2.89 0.69 0.92 6.98 0.00 -1.26 -5.00 121.76 121.20 3i07 s ALA 47 Ca 0.14 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.55 3i07 s ALA 47 Cb 0.18 1.10 0.09 0.00 0.00 0.00 0.00 23.12 24.49 3i07 s ALA 47 CO 0.67 -0.81 0.55 -2.37 0.00 0.00 0.00 175.76 173.79 3i07 n THR 48 N -0.59 0.00 -3.89 0.00 5.66 -1.22 -4.24 114.28 109.99 3i07 n THR 48 Ca 0.00 -0.46 -0.08 0.00 -3.05 0.00 0.00 64.05 60.46 3i07 n THR 48 Cb 0.61 -1.69 -0.03 0.00 -1.55 0.00 0.00 70.33 67.68 3i07 n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i07 s ASN 49 N -3.04 -0.22 0.46 1.09 2.20 -1.26 -1.48 114.94 112.70 3i07 s ASN 49 Ca 0.32 -0.69 0.18 0.00 -0.94 0.00 0.00 52.86 51.73 3i07 s ASN 49 Cb -0.01 0.69 1.11 0.00 -2.00 0.00 0.00 41.25 41.04 3i07 s ASN 49 CO 0.22 -1.30 2.01 -0.65 -2.94 0.00 0.00 177.10 174.44 3i07 h PRO 50 N 2.06 0.00 -0.21 3.55 0.11 -1.94 -1.11 132.00 134.46 3i07 h PRO 50 Ca -0.21 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 3i07 h PRO 50 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i07 h PRO 50 CO 0.26 0.18 -0.25 0.93 -0.21 0.00 0.00 178.00 178.91 3i07 h GLU 51 N 0.00 0.54 -0.65 1.05 3.07 -1.97 -1.20 114.58 115.41 3i07 h GLU 51 Ca -0.00 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 3i07 h GLU 51 Cb 0.34 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 3i07 h GLU 51 CO 0.02 0.89 0.37 1.96 -1.40 0.00 0.00 179.01 180.85 3i07 h GLN 52 N 0.21 0.90 -0.92 2.33 4.20 -1.87 -0.31 115.11 119.65 3i07 h GLN 52 Ca 0.03 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3i07 h GLN 52 Cb 0.81 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 3i07 h GLN 52 CO 0.06 0.67 0.57 -0.07 -0.67 0.00 0.00 178.83 179.39 3i07 h LEU 53 N 0.89 1.09 -0.45 1.46 3.38 -1.10 0.69 115.31 121.26 3i07 h LEU 53 Ca 0.23 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3i07 h LEU 53 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3i07 h LEU 53 CO -0.04 0.82 -0.26 0.15 0.09 0.00 0.00 178.44 179.20 3i07 h PHE 54 N 1.26 1.14 -0.35 1.13 3.57 -0.85 -0.53 116.94 122.30 3i07 h PHE 54 Ca 0.33 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3i07 h PHE 54 Cb -0.08 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3i07 h PHE 54 CO 0.00 1.12 0.22 0.00 -2.23 0.00 0.00 178.31 177.43 3i07 h ALA 55 N 0.84 0.45 -0.42 2.41 0.00 -0.66 0.77 119.26 122.65 3i07 h ALA 55 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3i07 h ALA 55 Cb 0.85 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3i07 h ALA 55 CO 0.07 -0.06 0.04 0.28 0.00 0.00 0.00 179.25 179.58 3i07 h VAL 56 N 0.47 1.25 -0.45 0.00 2.07 -0.82 -0.44 116.25 118.33 3i07 h VAL 56 Ca 0.13 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 3i07 h VAL 56 Cb -0.02 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3i07 h VAL 56 CO -0.03 0.32 0.01 1.23 0.02 0.00 0.00 177.57 179.13 3i07 h GLY 57 N 0.55 0.85 0.86 2.17 0.00 -0.91 -1.93 103.07 104.67 3i07 h GLY 57 Ca 0.12 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 3i07 h GLY 57 CO 0.01 0.57 -0.37 -1.82 0.00 0.00 0.00 176.54 174.94 3i07 h TYR 58 N 0.64 0.68 -0.43 5.60 -0.00 -0.77 0.61 116.97 123.29 3i07 h TYR 58 Ca 0.13 -0.26 0.07 0.00 -0.00 0.00 0.00 58.73 58.68 3i07 h TYR 58 Cb 0.48 -0.12 -0.06 0.00 -0.00 0.00 0.00 36.73 37.03 3i07 h TYR 58 CO 0.04 1.00 0.08 0.00 -0.00 0.00 0.00 178.16 179.27 3i07 h ALA 59 N 0.55 0.47 -0.16 1.82 0.00 -1.06 0.15 119.26 121.03 3i07 h ALA 59 Ca -0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i07 h ALA 59 Cb 0.98 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i07 h ALA 59 CO 0.08 -0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.09 3i07 h ALA 60 N 1.34 0.21 -0.65 0.00 0.00 -1.25 -0.52 119.26 118.38 3i07 h ALA 60 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i07 h ALA 60 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3i07 h ALA 60 CO -0.29 -0.25 0.39 0.00 0.00 0.00 0.00 179.25 179.10 3i07 h PHE 62 N 0.88 0.90 -0.35 0.00 3.57 -0.60 -0.06 116.94 121.28 3i07 h PHE 62 Ca 0.23 -0.30 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3i07 h PHE 62 Cb -0.02 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3i07 h PHE 62 CO -0.02 1.07 0.11 1.03 -2.23 0.00 0.00 178.31 178.28 3i07 h SER 63 N 0.46 0.10 -0.74 0.41 0.87 -0.95 -0.94 113.55 112.76 3i07 h SER 63 Ca 0.03 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3i07 h SER 63 Cb 0.98 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 3i07 h SER 63 CO 0.09 0.09 0.45 0.78 -0.53 0.00 0.00 176.83 177.71 3i07 h ASN 64 N 0.25 0.70 -0.65 6.23 2.35 -0.80 -1.55 115.58 122.11 3i07 h ASN 64 Ca 0.16 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3i07 h ASN 64 Cb 0.15 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3i07 h ASN 64 CO -0.17 0.46 0.09 0.00 -1.65 0.00 0.00 177.43 176.16 3i07 h ALA 65 N 1.35 0.87 -0.57 -0.83 0.00 -0.36 0.74 119.26 120.46 3i07 h ALA 65 Ca 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3i07 h ALA 65 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3i07 h ALA 65 CO -0.15 0.65 0.19 0.82 0.00 0.00 0.00 179.25 180.76 3i07 h ILE 66 N 1.01 1.23 -0.34 0.00 2.04 -0.76 -1.47 117.51 119.23 3i07 h ILE 66 Ca 0.20 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 3i07 h ILE 66 Cb 0.47 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3i07 h ILE 66 CO 0.02 0.29 -0.16 -0.07 0.00 0.00 0.00 178.15 178.23 3i07 h LEU 67 N 0.80 0.60 0.05 1.44 3.38 -0.91 -0.58 115.31 120.09 3i07 h LEU 67 Ca 0.19 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i07 h LEU 67 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i07 h LEU 67 CO -0.01 0.78 -0.05 -0.74 0.09 0.00 0.00 178.44 178.51 3i07 h HIS 68 N 0.55 -0.12 -0.61 1.13 2.76 -0.64 -0.85 115.15 117.36 3i07 h HIS 68 Ca 0.09 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 3i07 h HIS 68 Cb 0.59 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 3i07 h HIS 68 CO 0.02 -0.07 0.10 0.28 -1.30 0.00 0.00 177.93 176.96 3i07 h VAL 69 N -0.11 1.25 -0.51 5.26 2.07 -1.02 -1.72 116.25 121.48 3i07 h VAL 69 Ca 0.00 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3i07 h VAL 69 Cb 0.10 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3i07 h VAL 69 CO -0.01 0.36 0.32 0.00 0.02 0.00 0.00 177.57 178.26 3i07 h ALA 70 N 1.17 0.65 -0.55 1.67 0.00 -0.96 -0.47 119.26 120.78 3i07 h ALA 70 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3i07 h ALA 70 Cb 0.40 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i07 h ALA 70 CO 0.01 0.04 0.30 -0.09 0.00 0.00 0.00 179.25 179.51 3i07 h ARG 71 N 0.64 0.57 0.00 0.00 2.43 -0.69 0.30 114.38 117.63 3i07 h ARG 71 Ca 0.20 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3i07 h ARG 71 Cb -0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3i07 h ARG 71 CO -0.07 0.38 -0.27 0.93 -1.51 0.00 0.00 179.97 179.43 3i07 h GLU 72 N 0.59 0.00 -0.08 0.20 4.39 -0.70 -1.63 114.58 117.35 3i07 h GLU 72 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3i07 h GLU 72 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3i07 h GLU 72 CO -0.13 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 177.99 3i07 n ALA 73 N -2.39 2.55 -3.57 3.43 0.00 -0.24 -4.93 120.51 115.37 3i07 n ALA 73 Ca -0.02 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.67 3i07 n ALA 73 Cb 0.35 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.71 3i07 n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i07 n LYS 74 N 0.29 -5.20 -3.59 0.00 5.02 -0.60 -4.98 118.16 109.10 3i07 n LYS 74 Ca 0.18 0.66 -0.38 0.00 -2.02 0.00 0.00 58.31 56.75 3i07 n LYS 74 Cb 0.36 -5.53 -0.11 0.00 -0.02 0.00 0.00 35.03 29.73 3i07 n LYS 74 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i07 s VAL 75 N -3.19 5.26 -0.13 -0.18 1.01 -0.01 -5.03 120.40 118.14 3i07 s VAL 75 Ca 0.52 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 3i07 s VAL 75 Cb -0.26 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3i07 s VAL 75 CO 0.65 0.20 1.36 0.00 0.00 0.00 0.00 175.10 177.31 3i07 s ALA 76 N 1.74 3.64 -0.07 5.51 0.00 -1.26 -4.30 121.76 127.03 3i07 s ALA 76 Ca 0.07 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 3i07 s ALA 76 Cb -0.16 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.35 3i07 s ALA 76 CO 0.11 -1.19 0.10 -1.17 0.00 0.00 0.00 175.76 173.60 3i07 s LEU 77 N 3.50 0.08 -0.02 0.00 2.96 -1.26 -5.03 118.68 118.92 3i07 s LEU 77 Ca 0.60 0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 54.37 3i07 s LEU 77 Cb -0.25 -0.01 -0.20 0.00 0.50 0.00 0.00 46.19 46.23 3i07 s LEU 77 CO 0.19 -0.26 1.16 0.50 -1.32 0.00 0.00 176.35 176.63 3i07 h LYS 78 N 8.41 0.21 -4.53 1.98 3.64 -1.98 -3.47 116.57 120.83 3i07 h LYS 78 Ca -0.13 -0.16 -0.20 0.00 -1.27 0.00 0.00 60.65 58.89 3i07 h LYS 78 Cb 1.12 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.82 3i07 h LYS 78 CO 0.16 0.80 -0.69 -1.83 -2.27 0.00 0.00 179.45 175.62 3i07 s GLU 79 N -3.66 0.76 -0.41 1.90 -1.05 -1.26 -5.10 118.70 109.88 3i07 s GLU 79 Ca -0.15 -1.28 0.07 0.00 -0.15 0.00 0.00 54.97 53.46 3i07 s GLU 79 Cb 0.02 -0.10 0.22 0.00 -0.44 0.00 0.00 34.13 33.84 3i07 s GLU 79 CO 0.74 -0.04 0.46 0.00 0.95 0.00 0.00 175.26 177.37 3i07 n ALA 80 N 0.07 2.63 -2.00 -0.84 0.00 -1.26 -4.76 120.51 114.35 3i07 n ALA 80 Ca -0.13 -3.35 -0.42 0.00 0.00 0.00 0.00 53.44 49.54 3i07 n ALA 80 Cb 0.61 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 3i07 n ALA 80 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i07 s PRO 81 N -0.79 4.24 -0.06 0.00 0.02 -1.24 -4.60 135.00 132.57 3i07 s PRO 81 Ca 0.34 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3i07 s PRO 81 Cb 0.12 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.37 3i07 s PRO 81 CO -0.14 -0.59 -0.13 0.08 -0.33 0.00 0.00 177.00 175.89 3i07 s VAL 82 N 1.48 1.18 -0.24 3.83 1.01 -1.26 -1.55 120.40 124.85 3i07 s VAL 82 Ca 0.69 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 3i07 s VAL 82 Cb -0.41 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3i07 s VAL 82 CO 0.31 0.36 0.03 -0.89 0.00 0.00 0.00 175.10 174.92 3i07 s THR 83 N 0.59 4.00 -0.19 3.92 2.01 -0.12 -4.85 115.64 121.01 3i07 s THR 83 Ca -0.14 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 3i07 s THR 83 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3i07 s THR 83 CO 0.04 0.37 0.06 0.00 -0.69 0.00 0.00 174.62 174.40 3i07 s ALA 84 N 1.56 3.38 -0.19 7.40 0.00 -1.26 -0.66 121.76 131.99 3i07 s ALA 84 Ca 0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3i07 s ALA 84 Cb -0.15 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3i07 s ALA 84 CO 0.01 0.13 -0.13 0.99 0.00 0.00 0.00 175.76 176.77 3i07 s THR 85 N 0.45 2.66 -0.12 0.00 2.01 0.16 -4.91 115.64 115.89 3i07 s THR 85 Ca 0.03 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3i07 s THR 85 Cb -0.13 -2.17 0.01 0.00 0.01 0.00 0.00 72.50 70.22 3i07 s THR 85 CO 0.01 0.49 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 3i07 s VAL 86 N 1.33 2.04 0.24 3.82 1.01 -1.26 -0.88 120.40 126.69 3i07 s VAL 86 Ca 0.04 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.15 3i07 s VAL 86 Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3i07 s VAL 86 CO -0.08 0.55 -0.19 -0.83 0.00 0.00 0.00 175.10 174.56 3i07 s GLY 87 N 0.57 1.79 -0.01 4.51 0.00 -0.10 -4.96 107.32 109.13 3i07 s GLY 87 Ca -0.13 -1.74 0.04 0.00 0.00 0.00 0.00 44.72 42.88 3i07 s GLY 87 CO 0.04 -1.80 -0.12 -1.50 0.00 0.00 0.00 173.10 169.72 3i07 s ILE 88 N -2.13 0.96 0.35 0.90 2.07 -1.26 -0.61 121.20 121.47 3i07 s ILE 88 Ca 0.27 -0.54 -0.17 0.00 -1.41 0.00 0.00 60.65 58.79 3i07 s ILE 88 Cb -0.06 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.76 3i07 s ILE 88 CO 0.14 0.25 0.74 -0.83 -1.91 0.00 0.00 174.94 173.33 3i07 s GLY 89 N -0.34 0.28 0.45 1.50 0.00 -0.89 -5.00 107.32 103.31 3i07 s GLY 89 Ca 0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.89 3i07 s GLY 89 CO -0.00 -0.28 1.17 2.56 0.00 0.00 0.00 173.10 176.54 3i07 s PRO 90 N -2.92 3.79 0.00 2.90 0.04 -1.26 -0.87 135.00 136.67 3i07 s PRO 90 Ca 0.15 1.78 0.27 0.00 0.04 0.00 0.00 61.00 63.25 3i07 s PRO 90 Cb -0.05 -2.43 0.91 0.00 0.04 0.00 0.00 34.50 32.97 3i07 s PRO 90 CO 0.10 -0.53 1.66 0.27 0.04 0.00 0.00 177.00 178.54 3i07 n ASN 91 N -0.43 1.35 0.00 6.66 0.23 -0.11 -4.76 115.26 118.20 3i07 n ASN 91 Ca 0.07 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 3i07 n ASN 91 Cb 0.48 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 3i07 n ASN 91 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i07 n GLY 92 N 1.24 0.92 0.15 4.83 0.00 -1.26 -4.82 105.19 106.26 3i07 n GLY 92 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3i07 n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i07 n GLN 93 N -2.14 1.19 0.00 1.61 1.13 -1.26 -4.99 117.38 112.92 3i07 n GLN 93 Ca 0.00 -1.16 0.00 0.00 -1.94 0.00 0.00 57.00 53.90 3i07 n GLN 93 Cb 0.00 -1.07 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3i07 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i07 n GLY 94 N -0.03 0.66 0.00 1.08 0.00 -1.26 -5.07 105.19 100.57 3i07 n GLY 94 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i07 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i07 n GLY 95 N -1.83 5.55 3.16 -0.02 0.00 -1.26 -4.99 105.19 105.79 3i07 n GLY 95 Ca 0.00 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 3i07 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i07 s PHE 96 N -0.07 1.13 0.05 1.61 0.08 -1.26 -0.94 117.98 118.58 3i07 s PHE 96 Ca 0.00 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.60 3i07 s PHE 96 Cb 0.00 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 3i07 s PHE 96 CO 0.00 0.04 -0.09 0.00 -0.10 0.00 0.00 175.22 175.07 3i07 s ALA 97 N -1.37 0.69 -0.08 5.36 0.00 -0.05 -4.79 121.76 121.53 3i07 s ALA 97 Ca -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3i07 s ALA 97 Cb -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3i07 s ALA 97 CO 0.02 0.02 0.07 -0.51 0.00 0.00 0.00 175.76 175.36 3i07 s LEU 98 N -1.61 3.96 0.04 0.00 1.43 -1.26 -2.11 118.68 119.14 3i07 s LEU 98 Ca -0.08 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 3i07 s LEU 98 Cb -0.10 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3i07 s LEU 98 CO 0.01 0.36 -0.12 -0.94 0.23 0.00 0.00 176.35 175.89 3i07 s SER 99 N -1.16 4.21 -0.02 2.29 1.04 0.22 -4.84 113.70 115.45 3i07 s SER 99 Ca 0.16 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.26 3i07 s SER 99 Cb -0.12 -0.82 0.02 0.00 0.10 0.00 0.00 66.02 65.21 3i07 s SER 99 CO 0.06 0.25 0.03 -0.69 0.98 0.00 0.00 173.24 173.87 3i07 s VAL 100 N -1.02 -0.04 0.04 5.02 1.01 -1.26 -0.92 120.40 123.23 3i07 s VAL 100 Ca 0.17 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.37 3i07 s VAL 100 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 3i07 s VAL 100 CO 0.08 0.06 -0.23 0.00 0.00 0.00 0.00 175.10 175.01 3i07 s ALA 101 N 0.73 1.91 -0.11 5.51 0.00 -0.06 -1.38 121.76 128.37 3i07 s ALA 101 Ca -0.06 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.81 3i07 s ALA 101 Cb -0.09 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3i07 s ALA 101 CO -0.02 0.44 -0.15 -0.51 0.00 0.00 0.00 175.76 175.52 3i07 s LEU 102 N -1.10 1.73 -0.26 0.00 1.43 0.43 -0.66 118.68 120.24 3i07 s LEU 102 Ca 0.09 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3i07 s LEU 102 Cb -0.09 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.10 3i07 s LEU 102 CO 0.01 0.02 -0.09 0.00 0.23 0.00 0.00 176.35 176.52 3i07 s ALA 103 N 0.96 2.61 -0.11 4.21 0.00 0.17 -0.82 121.76 128.77 3i07 s ALA 103 Ca -0.07 -1.75 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 3i07 s ALA 103 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3i07 s ALA 103 CO -0.01 -1.19 0.11 0.00 0.00 0.00 0.00 175.76 174.67 3i07 s ALA 104 N 1.13 3.76 -0.17 0.00 0.00 -0.25 -0.95 121.76 125.29 3i07 s ALA 104 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3i07 s ALA 104 Cb -0.20 -1.86 0.04 0.00 0.00 0.00 0.00 23.12 21.10 3i07 s ALA 104 CO -0.05 0.62 -0.10 -1.01 0.00 0.00 0.00 175.76 175.23 3i07 s HIS 105 N -1.02 2.10 -0.03 0.00 3.76 -0.60 -0.78 115.29 118.73 3i07 s HIS 105 Ca 0.15 -1.31 0.03 0.00 -0.15 0.00 0.00 55.06 53.79 3i07 s HIS 105 Cb -0.12 -1.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.06 3i07 s HIS 105 CO 0.04 -0.68 -0.12 0.42 -0.85 0.00 0.00 174.74 173.56 3i07 s ILE 106 N 1.50 0.99 -1.41 0.60 -1.09 -1.26 -3.64 121.20 116.90 3i07 s ILE 106 Ca 0.01 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 3i07 s ILE 106 Cb -0.15 -0.86 0.07 0.00 -1.58 0.00 0.00 42.46 39.94 3i07 s ILE 106 CO -0.09 0.29 2.25 0.00 -1.23 0.00 0.00 174.94 176.17 3i07 n ALA 107 N 3.12 5.97 -3.12 9.38 0.00 -1.26 -4.86 120.51 129.74 3i07 n ALA 107 Ca -0.17 -4.00 -0.12 0.00 0.00 0.00 0.00 53.44 49.15 3i07 n ALA 107 Cb 0.54 -3.23 -0.09 0.00 0.00 0.00 0.00 19.45 16.68 3i07 n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i07 s LEU 108 N 0.55 1.04 0.35 0.00 1.02 -1.26 -5.06 118.68 115.32 3i07 s LEU 108 Ca 0.49 -0.08 -0.26 0.00 0.02 0.00 0.00 54.13 54.30 3i07 s LEU 108 Cb 0.14 1.15 -0.13 0.00 0.02 0.00 0.00 46.19 47.37 3i07 s LEU 108 CO -0.05 -0.48 0.91 1.21 0.02 0.00 0.00 176.35 177.96 3i07 n GLU 109 N 1.08 1.17 -0.37 1.70 0.00 -1.26 -4.56 120.64 118.40 3i07 n GLU 109 Ca -0.21 0.42 -0.02 0.00 0.00 0.00 0.00 57.16 57.35 3i07 n GLU 109 Cb 0.57 -1.83 0.11 0.00 0.00 0.00 0.00 31.44 30.29 3i07 n GLU 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i07 h ASP 110 N 1.60 1.15 -0.33 4.31 3.32 -1.98 0.11 116.42 124.59 3i07 h ASP 110 Ca -0.41 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 3i07 h ASP 110 Cb 1.35 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3i07 h ASP 110 CO 0.58 0.84 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.38 3i07 h GLU 111 N 1.35 0.82 -0.50 3.56 4.39 -1.99 0.17 114.58 122.39 3i07 h GLU 111 Ca 0.36 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3i07 h GLU 111 Cb -0.15 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3i07 h GLU 111 CO -0.08 0.96 0.19 1.96 -1.16 0.00 0.00 179.01 180.88 3i07 h GLN 112 N 0.72 0.75 -0.45 2.33 4.20 -1.71 -1.45 115.11 119.50 3i07 h GLN 112 Ca 0.10 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3i07 h GLN 112 Cb 0.74 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3i07 h GLN 112 CO 0.06 0.68 0.28 0.00 -0.67 0.00 0.00 178.83 179.17 3i07 h ALA 113 N 1.04 0.58 -0.52 3.87 0.00 -0.44 -1.87 119.26 121.92 3i07 h ALA 113 Ca 0.17 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i07 h ALA 113 Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i07 h ALA 113 CO -0.01 0.06 0.29 -0.09 0.00 0.00 0.00 179.25 179.50 3i07 h ARG 114 N 0.60 0.55 -0.28 0.00 2.43 -0.53 -0.94 114.38 116.22 3i07 h ARG 114 Ca 0.16 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3i07 h ARG 114 Cb -0.01 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 3i07 h ARG 114 CO -0.03 0.36 0.03 0.37 -1.51 0.00 0.00 179.97 179.19 3i07 h GLN 115 N 0.56 0.12 0.09 0.20 4.15 -0.90 0.41 115.11 119.75 3i07 h GLN 115 Ca 0.22 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 3i07 h GLN 115 Cb 0.09 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3i07 h GLN 115 CO -0.13 0.08 -0.05 -0.07 -1.93 0.00 0.00 178.83 176.73 3i07 h LEU 116 N 0.12 -0.11 -0.88 -2.39 3.38 -1.00 -1.94 115.31 112.50 3i07 h LEU 116 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3i07 h LEU 116 Cb 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3i07 h LEU 116 CO -0.19 -0.06 -0.35 0.58 0.09 0.00 0.00 178.44 178.52 3i07 h VAL 117 N -0.15 1.29 -0.28 1.22 2.07 -1.08 0.07 116.25 119.40 3i07 h VAL 117 Ca -0.01 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3i07 h VAL 117 Cb 0.12 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3i07 h VAL 117 CO 0.02 0.44 0.10 0.74 0.02 0.00 0.00 177.57 178.90 3i07 h THR 118 N 0.35 1.18 -0.54 2.57 2.02 -0.76 -1.07 112.91 116.67 3i07 h THR 118 Ca 0.04 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3i07 h THR 118 Cb 0.78 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3i07 h THR 118 CO 0.06 0.19 0.31 0.58 0.37 0.00 0.00 175.52 177.03 3i07 h VAL 119 N 0.30 1.17 -0.90 3.16 2.07 -1.17 -2.76 116.25 118.12 3i07 h VAL 119 Ca 0.09 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.28 3i07 h VAL 119 Cb 0.20 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3i07 h VAL 119 CO -0.01 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.35 3i07 h ALA 120 N 1.14 1.56 0.00 1.67 0.00 -0.66 -0.40 119.26 122.57 3i07 h ALA 120 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i07 h ALA 120 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i07 h ALA 120 CO -0.03 0.28 0.00 1.25 0.00 0.00 0.00 179.25 180.75 3i07 h HIS 121 N 0.97 0.00 0.10 0.00 6.17 -0.93 -0.58 115.15 120.88 3i07 h HIS 121 Ca 0.40 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 61.21 3i07 h HIS 121 Cb 0.28 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.21 3i07 h HIS 121 CO -0.00 0.00 -1.30 1.96 0.71 0.00 0.00 177.93 179.29 3i07 h GLN 122 N 0.00 0.22 0.00 5.26 1.08 -0.87 -3.38 115.11 117.42 3i07 h GLN 122 Ca 0.00 -0.37 -0.12 0.00 -1.45 0.00 0.00 58.65 56.71 3i07 h GLN 122 Cb 0.48 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 3i07 h GLN 122 CO 0.00 1.13 -1.43 1.33 -0.95 0.00 0.00 178.83 178.91 3i07 n VAL 123 N -3.46 0.95 -1.69 -0.54 0.24 -0.71 -4.79 118.33 108.33 3i07 n VAL 123 Ca -0.10 -0.65 -0.44 0.00 -2.04 0.00 0.00 64.34 61.12 3i07 n VAL 123 Cb 1.02 -0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 3i07 n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i07 h PRO 125 N 8.18 0.00 -0.48 0.00 0.13 -1.91 -1.21 132.00 136.71 3i07 h PRO 125 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 3i07 h PRO 125 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3i07 h PRO 125 CO 0.94 0.42 -0.17 1.88 -0.23 0.00 0.00 178.00 180.84 3i07 h TYR 126 N 0.00 1.05 -0.66 1.56 0.99 -1.96 -0.71 116.97 117.25 3i07 h TYR 126 Ca -0.00 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 60.48 3i07 h TYR 126 Cb 0.74 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 38.19 3i07 h TYR 126 CO 0.00 1.02 0.36 0.77 -0.00 0.00 0.00 178.16 180.31 3i07 h SER 127 N 0.82 0.82 -0.04 3.88 0.02 -1.70 -2.32 113.55 115.03 3i07 h SER 127 Ca 0.12 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3i07 h SER 127 Cb 0.71 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3i07 h SER 127 CO 0.05 0.67 -0.14 0.78 -1.14 0.00 0.00 176.83 177.05 3i07 h ASN 128 N 0.90 0.35 -0.15 3.07 2.35 -1.05 -2.17 115.58 118.87 3i07 h ASN 128 Ca 0.23 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3i07 h ASN 128 Cb 0.03 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3i07 h ASN 128 CO -0.04 0.52 -0.18 0.00 -1.65 0.00 0.00 177.43 176.08 3i07 h ALA 129 N 1.52 1.12 -0.01 -0.83 0.00 -0.61 -3.25 119.26 117.19 3i07 h ALA 129 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i07 h ALA 129 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i07 h ALA 129 CO 0.03 0.55 -0.47 1.33 0.00 0.00 0.00 179.25 180.68 3i07 n VAL 130 N -4.16 0.00 -1.66 0.00 0.24 -0.93 -4.97 118.33 106.85 3i07 n VAL 130 Ca 0.00 -0.26 -0.47 0.00 -2.04 0.00 0.00 64.34 61.57 3i07 n VAL 130 Cb 0.37 1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 33.89 3i07 n VAL 130 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i07 n ARG 131 N -0.26 2.01 0.00 7.34 3.00 -0.83 -1.10 116.66 126.81 3i07 n ARG 131 Ca 0.07 0.73 0.00 0.00 -0.00 0.00 0.00 57.85 58.65 3i07 n ARG 131 Cb 0.39 -2.49 0.00 0.00 0.00 0.00 0.00 32.46 30.36 3i07 n ARG 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i07 n GLY 132 N 3.48 2.91 0.13 5.14 0.00 -1.26 -4.77 105.19 110.82 3i07 n GLY 132 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3i07 n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i07 n ASN 133 N 0.00 1.93 -4.45 1.61 5.03 -0.26 -4.90 115.26 114.22 3i07 n ASN 133 Ca 0.00 0.36 -0.34 0.00 0.87 0.00 0.00 54.58 55.47 3i07 n ASN 133 Cb 0.00 -0.87 -0.13 0.00 -1.02 0.00 0.00 39.78 37.77 3i07 n ASN 133 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i07 s ILE 134 N -2.46 3.73 -0.83 2.41 1.01 -0.43 -5.04 121.20 119.58 3i07 s ILE 134 Ca -0.35 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 3i07 s ILE 134 Cb 0.11 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 40.03 3i07 s ILE 134 CO 0.53 0.48 1.13 -0.62 0.00 0.00 0.00 174.94 176.46 3i07 s ASP 135 N 0.60 6.41 0.02 3.58 2.15 -1.26 -4.59 116.67 123.57 3i07 s ASP 135 Ca -0.03 -1.46 -0.30 0.00 0.43 0.00 0.00 52.55 51.19 3i07 s ASP 135 Cb -0.14 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 3i07 s ASP 135 CO 0.03 -1.32 1.25 -0.69 -0.17 0.00 0.00 175.17 174.26 3i07 s VAL 136 N 3.75 4.00 -0.64 1.11 1.01 -1.26 -4.71 120.40 123.66 3i07 s VAL 136 Ca 0.31 1.39 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 3i07 s VAL 136 Cb -0.09 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.48 3i07 s VAL 136 CO -0.01 0.05 0.87 -1.10 0.00 0.00 0.00 175.10 174.91 3i07 s GLN 137 N 1.68 3.09 -0.17 2.72 -1.52 -0.48 -4.94 119.66 120.04 3i07 s GLN 137 Ca 0.59 -1.03 -0.08 0.00 -1.95 0.00 0.00 55.36 52.90 3i07 s GLN 137 Cb -0.29 -4.25 -0.04 0.00 -0.22 0.00 0.00 33.01 28.21 3i07 s GLN 137 CO 0.26 -1.71 0.09 0.08 -0.25 0.00 0.00 175.29 173.76 3i07 s VAL 138 N 3.54 5.09 0.14 1.09 1.01 -1.26 -0.43 120.40 129.58 3i07 s VAL 138 Ca 0.18 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.30 3i07 s VAL 138 Cb -0.20 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3i07 s VAL 138 CO 0.09 0.49 -0.16 -0.94 0.00 0.00 0.00 175.10 174.57 3i07 s SER 139 N 0.06 2.34 -0.12 3.32 1.04 -0.00 -0.66 113.70 119.68 3i07 s SER 139 Ca 0.07 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 3i07 s SER 139 Cb -0.12 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.93 3i07 s SER 139 CO 0.00 -0.09 -0.00 -0.69 0.98 0.00 0.00 173.24 173.43 3i07 s VAL 140 N -2.11 0.56 -1.40 5.02 1.01 -0.02 -1.09 120.40 122.37 3i07 s VAL 140 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 3i07 s VAL 140 Cb -0.05 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.58 3i07 s VAL 140 CO 0.05 0.15 0.56 0.59 0.00 0.00 0.00 175.10 176.44 3i07 n ASN 141 N 5.07 -4.72 0.00 3.32 3.02 0.04 -1.75 115.26 120.25 3i07 n ASN 141 Ca -0.09 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3i07 n ASN 141 Cb 0.49 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 3i07 n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i07 n GLY 142 N -1.34 1.11 3.63 7.41 0.00 -1.26 -5.04 105.19 109.70 3i07 n GLY 142 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3i07 n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i07 s LEU 143 N 0.00 3.68 0.41 0.99 2.96 -0.72 -5.07 118.68 120.93 3i07 s LEU 143 Ca 0.00 0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.72 3i07 s LEU 143 Cb 0.00 -1.90 -0.10 0.00 0.50 0.00 0.00 46.19 44.69 3i07 s LEU 143 CO 0.00 0.24 1.47 0.00 -1.32 0.00 0.00 176.35 176.74 3i07 s ALA 144 N -0.01 3.45 -2.00 5.97 0.00 -1.26 -0.84 121.76 127.06 3i07 s ALA 144 Ca 0.04 1.55 0.28 0.00 0.00 0.00 0.00 51.96 53.84 3i07 s ALA 144 Cb -0.12 -3.61 1.69 0.00 0.00 0.00 0.00 23.12 21.07 3i07 s ALA 144 CO 0.01 -1.13 2.03 -0.11 0.00 0.00 0.00 175.76 176.56