#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i07 s ASN -1 N 0.00 1.88 0.29 4.04 3.84 -1.26 -4.97 114.94 118.75 3i07 s ASN -1 Ca 0.00 -0.83 -0.00 0.00 0.21 0.00 0.00 52.86 52.24 3i07 s ASN -1 Cb 0.00 0.41 0.43 0.00 -0.55 0.00 0.00 41.25 41.55 3i07 s ASN -1 CO 0.00 -0.39 1.83 0.00 -2.79 0.00 0.00 177.10 175.74 3i07 h ALA 0 N 8.26 1.23 -0.50 1.71 0.00 -1.96 -3.00 119.26 125.01 3i07 h ALA 0 Ca -0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 3i07 h ALA 0 Cb 1.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3i07 h ALA 0 CO 0.35 0.52 -0.16 1.98 0.00 0.00 0.00 179.25 181.94 3i07 h MET 1 N 0.73 0.97 0.00 0.00 1.85 -1.97 -1.61 114.93 114.90 3i07 h MET 1 Ca 0.16 -0.38 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 3i07 h MET 1 Cb 0.32 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.30 3i07 h MET 1 CO 0.00 1.05 0.00 0.54 -0.40 0.00 0.00 176.91 178.11 3i07 n ARG 2 N -4.13 0.00 -0.57 0.39 1.74 -1.18 -2.10 116.66 110.82 3i07 n ARG 2 Ca 0.01 0.17 0.03 0.00 -0.77 0.00 0.00 57.85 57.28 3i07 n ARG 2 Cb 0.43 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.57 3i07 n ARG 2 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i07 n ASN 3 N -1.50 2.74 -4.65 0.55 5.15 -0.66 -4.92 115.26 111.97 3i07 n ASN 3 Ca 0.05 -3.48 -0.42 0.00 -0.60 0.00 0.00 54.58 50.13 3i07 n ASN 3 Cb 0.23 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 38.87 3i07 n ASN 3 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3i07 s LYS 4 N -3.08 4.21 -0.67 1.20 2.20 -0.85 -5.01 119.74 117.75 3i07 s LYS 4 Ca 0.41 0.97 -0.27 0.00 -0.36 0.00 0.00 55.97 56.72 3i07 s LYS 4 Cb 0.36 -3.63 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 3i07 s LYS 4 CO 0.02 -0.48 1.23 1.21 -0.36 0.00 0.00 175.35 176.97 3i07 s ASN 5 N 1.29 6.29 0.35 1.43 2.47 -1.26 -4.90 114.94 120.61 3i07 s ASN 5 Ca 0.36 -0.21 0.24 0.00 0.42 0.00 0.00 52.86 53.67 3i07 s ASN 5 Cb -0.16 -2.55 0.44 0.00 -1.45 0.00 0.00 41.25 37.53 3i07 s ASN 5 CO 0.08 -1.67 1.60 0.24 -3.72 0.00 0.00 177.10 173.63 3i07 h MET 6 N 9.80 0.00 -1.27 0.43 2.86 -1.98 -3.44 114.93 121.33 3i07 h MET 6 Ca -0.27 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.51 3i07 h MET 6 Cb 1.05 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.49 3i07 h MET 6 CO 1.23 0.00 0.04 0.45 1.06 0.00 0.00 176.91 179.69 3i07 s SER 7 N -5.61 -0.86 -0.15 1.22 0.15 -1.26 -5.13 113.70 102.07 3i07 s SER 7 Ca 0.07 1.01 -0.29 0.00 0.70 0.00 0.00 55.95 57.44 3i07 s SER 7 Cb 0.08 1.91 -0.02 0.00 -1.71 0.00 0.00 66.02 66.28 3i07 s SER 7 CO 0.66 -0.16 1.29 -0.89 1.20 0.00 0.00 173.24 175.34 3i07 s THR 8 N 2.70 4.22 0.02 6.45 2.01 -1.26 -4.87 115.64 124.90 3i07 s THR 8 Ca -0.01 1.48 -0.11 0.00 0.31 0.00 0.00 61.69 63.37 3i07 s THR 8 Cb -0.10 -3.96 -0.32 0.00 0.01 0.00 0.00 72.50 68.13 3i07 s THR 8 CO -0.18 -0.12 0.95 0.40 -0.69 0.00 0.00 174.62 174.99 3i07 h ILE 9 N 5.45 1.25 -2.56 1.82 2.04 -2.00 -3.47 117.51 120.04 3i07 h ILE 9 Ca -0.28 -2.75 -0.10 0.00 1.00 0.00 0.00 64.86 62.73 3i07 h ILE 9 Cb 1.11 2.94 -0.24 0.00 -0.74 0.00 0.00 36.82 39.89 3i07 h ILE 9 CO 0.96 0.84 -0.20 -0.47 0.00 0.00 0.00 178.15 179.28 3i07 s TYR 10 N -2.61 -0.61 0.02 1.37 5.04 -1.26 -5.16 117.35 114.14 3i07 s TYR 10 Ca -0.09 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 55.93 3i07 s TYR 10 Cb 0.05 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.61 3i07 s TYR 10 CO 0.91 -0.32 -0.10 -1.14 -1.34 0.00 0.00 175.55 173.57 3i07 s GLN 11 N 0.87 0.70 0.09 4.97 0.74 -1.26 -5.16 119.66 120.61 3i07 s GLN 11 Ca -0.05 -0.52 -0.09 0.00 0.05 0.00 0.00 55.36 54.75 3i07 s GLN 11 Cb -0.06 -0.64 -0.00 0.00 1.10 0.00 0.00 33.01 33.42 3i07 s GLN 11 CO -0.07 0.16 0.20 -0.08 -0.55 0.00 0.00 175.29 174.95 3i07 s THR 12 N -0.63 0.14 0.06 -0.34 -1.32 -1.26 -5.18 115.64 107.11 3i07 s THR 12 Ca -0.00 -1.15 0.02 0.00 -1.21 0.00 0.00 61.69 59.35 3i07 s THR 12 Cb -0.06 -1.33 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 3i07 s THR 12 CO 0.00 -0.64 -0.08 -0.44 -2.21 0.00 0.00 174.62 171.26 3i07 s SER 13 N -2.85 0.96 -0.00 8.08 0.01 -1.26 -5.08 113.70 113.56 3i07 s SER 13 Ca 0.05 -0.67 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 3i07 s SER 13 Cb 0.05 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.33 3i07 s SER 13 CO -0.11 -0.27 0.20 0.00 0.41 0.00 0.00 173.24 173.47 3i07 s ALA 14 N -1.97 -0.48 -0.09 1.44 0.00 -1.26 -1.03 121.76 118.36 3i07 s ALA 14 Ca -0.04 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3i07 s ALA 14 Cb -0.06 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.17 3i07 s ALA 14 CO -0.01 -0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.36 3i07 s THR 15 N -1.35 1.49 -0.07 0.00 2.01 -0.30 -4.96 115.64 112.47 3i07 s THR 15 Ca -0.14 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.25 3i07 s THR 15 Cb -0.07 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3i07 s THR 15 CO 0.02 0.44 -0.24 0.00 -0.69 0.00 0.00 174.62 174.15 3i07 s ALA 16 N 0.76 2.11 -0.65 7.40 0.00 -1.26 -1.99 121.76 128.13 3i07 s ALA 16 Ca -0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3i07 s ALA 16 Cb -0.16 -0.69 0.17 0.00 0.00 0.00 0.00 23.12 22.44 3i07 s ALA 16 CO 0.02 0.38 0.46 -1.12 0.00 0.00 0.00 175.76 175.50 3i07 s SER 17 N -0.03 5.14 0.13 0.00 0.01 -0.55 -5.02 113.70 113.38 3i07 s SER 17 Ca -0.07 -3.10 0.00 0.00 1.31 0.00 0.00 55.95 54.09 3i07 s SER 17 Cb -0.15 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.28 3i07 s SER 17 CO 0.05 -0.29 0.00 0.00 0.41 0.00 0.00 173.24 173.41 3i07 n ALA 18 N 3.11 0.00 0.00 1.44 0.00 -1.26 -1.61 120.51 122.19 3i07 n ALA 18 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3i07 n ALA 18 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 5.00 0.61 3.14 0.00 0.00 -1.26 -4.57 105.19 108.11 3i07 n GLY 19 Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 3i07 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i07 s ARG 20 N 0.00 0.25 -0.40 1.61 0.52 -1.26 -3.44 118.95 116.23 3i07 s ARG 20 Ca 0.00 0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 55.88 3i07 s ARG 20 Cb 0.00 0.08 0.02 0.00 0.52 0.00 0.00 34.95 35.57 3i07 s ARG 20 CO 0.00 -0.24 0.38 -0.80 0.02 0.00 0.00 175.30 174.66 3i07 s ASN 21 N 2.20 6.16 0.82 0.23 -0.87 -1.26 -5.14 114.94 117.08 3i07 s ASN 21 Ca -0.03 -0.67 -0.12 0.00 -1.57 0.00 0.00 52.86 50.47 3i07 s ASN 21 Cb -0.11 -2.20 0.09 0.00 -0.02 0.00 0.00 41.25 39.00 3i07 s ASN 21 CO -0.11 -0.50 1.14 -0.83 -2.57 0.00 0.00 177.10 174.24 3i07 s GLY 22 N 1.76 1.60 0.05 0.66 0.00 -0.94 -4.85 107.32 105.60 3i07 s GLY 22 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.32 3i07 s GLY 22 CO 0.12 -0.02 -0.06 -1.34 0.00 0.00 0.00 173.10 171.81 3i07 s VAL 23 N -3.40 0.40 -0.05 1.40 -7.23 -0.64 -0.27 120.40 110.61 3i07 s VAL 23 Ca 0.62 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 59.44 3i07 s VAL 23 Cb -0.13 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 36.03 3i07 s VAL 23 CO 0.51 -0.58 0.21 0.54 -0.31 0.00 0.00 175.10 175.48 3i07 s VAL 24 N -2.09 0.03 -0.00 1.32 0.11 -0.29 -1.48 120.40 117.99 3i07 s VAL 24 Ca -0.06 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 3i07 s VAL 24 Cb -0.05 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 3i07 s VAL 24 CO -0.02 -0.12 0.27 -0.94 -3.33 0.00 0.00 175.10 170.96 3i07 s SER 25 N -0.39 -0.13 0.59 3.54 1.04 -0.84 -0.63 113.70 116.87 3i07 s SER 25 Ca -0.05 -0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.21 3i07 s SER 25 Cb -0.03 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 3i07 s SER 25 CO 0.01 -0.46 1.04 0.42 0.98 0.00 0.00 173.24 175.23 3i07 s THR 26 N -1.52 4.03 0.39 2.02 -4.23 -0.45 -1.15 115.64 114.72 3i07 s THR 26 Ca -0.13 0.90 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 3i07 s THR 26 Cb -0.05 -3.48 0.29 0.00 1.34 0.00 0.00 72.50 70.60 3i07 s THR 26 CO 0.03 -0.63 1.99 -0.08 -0.54 0.00 0.00 174.62 175.39 3i07 h GLU 27 N 0.33 0.63 -0.05 3.99 4.81 -1.44 -2.05 114.58 120.80 3i07 h GLU 27 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3i07 h GLU 27 Cb 1.21 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3i07 h GLU 27 CO 0.58 0.41 0.00 -0.40 -0.73 0.00 0.00 179.01 178.88 3i07 n ASP 28 N -4.47 1.42 -0.62 1.04 5.68 -1.26 -4.95 116.55 113.39 3i07 n ASP 28 Ca 0.08 -1.51 -0.08 0.00 -0.50 0.00 0.00 54.79 52.78 3i07 n ASP 28 Cb 0.20 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.12 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 0.12 -1.32 0.25 0.11 4.01 -0.77 -4.85 118.16 115.70 3i07 n LYS 29 Ca 0.19 0.73 0.11 0.00 -0.51 0.00 0.00 58.31 58.82 3i07 n LYS 29 Cb 0.33 -4.89 0.64 0.00 -0.51 0.00 0.00 35.03 30.60 3i07 n LYS 29 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3i07 h LEU 30 N 0.00 0.00 -7.47 -0.35 3.38 -1.93 -3.38 115.31 105.56 3i07 h LEU 30 Ca -0.17 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.30 3i07 h LEU 30 Cb 0.91 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.27 3i07 h LEU 30 CO 0.24 0.16 -0.78 -0.22 0.09 0.00 0.00 178.44 177.94 3i07 s LEU 31 N -7.36 1.17 -0.13 1.67 2.96 -1.26 -5.06 118.68 110.68 3i07 s LEU 31 Ca -0.02 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3i07 s LEU 31 Cb 0.13 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 46.16 3i07 s LEU 31 CO 0.61 -0.22 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.66 3i07 s GLU 32 N 1.80 2.27 0.04 1.98 2.02 -1.26 -1.35 118.70 124.21 3i07 s GLU 32 Ca 0.02 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.47 3i07 s GLU 32 Cb -0.15 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 3i07 s GLU 32 CO -0.07 -0.13 -0.09 -0.51 0.02 0.00 0.00 175.26 174.47 3i07 s LEU 33 N 1.19 2.24 0.31 1.80 1.43 0.20 -5.02 118.68 120.82 3i07 s LEU 33 Ca -0.02 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 3i07 s LEU 33 Cb -0.14 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 45.73 3i07 s LEU 33 CO -0.05 -0.14 0.67 0.20 0.23 0.00 0.00 176.35 177.26 3i07 s ASN 34 N -1.48 6.65 0.06 2.29 0.02 -1.26 -1.14 114.94 120.08 3i07 s ASN 34 Ca -0.07 1.09 0.10 0.00 -1.02 0.00 0.00 52.86 52.96 3i07 s ASN 34 Cb -0.09 -2.30 -0.03 0.00 0.02 0.00 0.00 41.25 38.85 3i07 s ASN 34 CO 0.01 -0.21 -0.26 -0.76 0.02 0.00 0.00 177.10 175.90 3i07 s LEU 35 N -3.16 2.20 0.04 0.60 1.43 0.63 -2.64 118.68 117.77 3i07 s LEU 35 Ca 0.51 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3i07 s LEU 35 Cb -0.11 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3i07 s LEU 35 CO 0.22 0.24 0.17 -0.94 0.23 0.00 0.00 176.35 176.27 3i07 s SER 36 N -1.40 0.07 0.41 2.29 1.04 -0.42 -2.21 113.70 113.49 3i07 s SER 36 Ca 0.12 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.88 3i07 s SER 36 Cb -0.10 0.28 -0.08 0.00 0.10 0.00 0.00 66.02 66.21 3i07 s SER 36 CO 0.03 -0.55 1.16 -0.31 0.98 0.00 0.00 173.24 174.54 3i07 s TYR 37 N -2.64 3.06 0.83 5.02 2.02 -1.26 -4.33 117.35 120.05 3i07 s TYR 37 Ca -0.05 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 3i07 s TYR 37 Cb -0.01 -3.37 0.09 0.00 -0.40 0.00 0.00 41.96 38.28 3i07 s TYR 37 CO -0.04 -1.27 1.09 -1.25 -1.57 0.00 0.00 175.55 172.51 3i07 s PRO 38 N -2.37 1.78 0.49 -1.71 0.04 -1.26 -1.16 135.00 130.80 3i07 s PRO 38 Ca 0.58 1.04 0.14 0.00 0.04 0.00 0.00 61.00 62.80 3i07 s PRO 38 Cb -0.29 -1.85 1.16 0.00 0.04 0.00 0.00 34.50 33.55 3i07 s PRO 38 CO 0.37 -1.94 2.11 0.87 0.04 0.00 0.00 177.00 178.45 3i07 h LYS 39 N -1.34 0.16 0.00 4.56 1.57 -1.83 -0.71 116.57 118.97 3i07 h LYS 39 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3i07 h LYS 39 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3i07 h LYS 39 CO 0.52 0.10 0.00 0.93 -0.57 0.00 0.00 179.45 180.44 3i07 h GLU 40 N 0.16 0.00 -0.53 3.15 3.07 -1.91 -3.22 114.58 115.30 3i07 h GLU 40 Ca 0.06 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.55 3i07 h GLU 40 Cb 0.06 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 27.61 3i07 h GLU 40 CO -0.01 0.00 -0.87 -1.33 -1.40 0.00 0.00 179.01 175.40 3i07 n MET 41 N -2.58 2.67 -0.58 2.33 2.81 -0.53 -4.96 117.12 116.28 3i07 n MET 41 Ca 0.01 -3.77 0.00 0.00 -1.81 0.00 0.00 57.70 52.14 3i07 n MET 41 Cb 0.25 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 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 -0.67 0.73 1.13 3.03 0.00 -1.20 -4.78 105.19 103.44 3i07 n GLY 42 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.41 2.78 0.07 -0.02 0.00 -0.39 -4.99 105.19 100.23 3i07 n GLY 43 Ca 0.00 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 43.94 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 0.16 0.00 -4.24 1.61 4.64 -1.76 -3.31 113.55 110.65 3i07 h SER 44 Ca -0.10 -0.18 -0.29 0.00 -0.47 0.00 0.00 61.79 60.75 3i07 h SER 44 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3i07 h SER 44 CO 0.15 0.09 -0.40 0.61 -0.87 0.00 0.00 176.83 176.41 3i07 n GLY 45 N 1.29 -0.50 0.08 -0.77 0.00 -0.31 -4.66 105.19 100.33 3i07 n GLY 45 Ca 0.02 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3i07 n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i07 h THR 46 N -0.34 1.37 -3.75 2.61 2.02 -1.92 -3.47 112.91 109.43 3i07 h THR 46 Ca -0.35 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 63.75 3i07 h THR 46 Cb 1.25 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 3i07 h THR 46 CO 0.42 0.83 0.00 0.00 0.37 0.00 0.00 175.52 177.13 3i07 n ALA 47 N -2.49 0.00 -1.76 6.16 0.00 -1.26 -5.02 120.51 116.14 3i07 n ALA 47 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3i07 n ALA 47 Cb 1.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.56 3i07 n ALA 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i07 s THR 48 N -0.97 1.99 0.22 0.00 2.01 -1.08 -4.23 115.64 113.58 3i07 s THR 48 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3i07 s THR 48 Cb 0.00 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 3i07 s THR 48 CO 0.00 0.00 0.39 0.54 -0.69 0.00 0.00 174.62 174.86 3i07 s ASN 49 N -4.39 -0.04 0.54 3.53 2.20 -1.26 -1.30 114.94 114.22 3i07 s ASN 49 Ca 0.64 -0.97 0.30 0.00 -0.94 0.00 0.00 52.86 51.90 3i07 s ASN 49 Cb -0.12 0.52 1.50 0.00 -2.00 0.00 0.00 41.25 41.16 3i07 s ASN 49 CO 0.51 -1.04 2.07 -0.65 -2.94 0.00 0.00 177.10 175.05 3i07 h PRO 50 N 2.37 0.00 -0.08 3.55 0.11 -1.99 -2.24 132.00 133.71 3i07 h PRO 50 Ca -0.29 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.58 3i07 h PRO 50 Cb 1.25 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.37 3i07 h PRO 50 CO 0.41 0.09 -0.90 0.93 -0.21 0.00 0.00 178.00 178.33 3i07 h GLU 51 N 0.00 0.75 -0.92 1.05 3.07 -1.97 -0.90 114.58 115.67 3i07 h GLU 51 Ca -0.00 -0.70 0.02 0.00 -0.50 0.00 0.00 59.36 58.18 3i07 h GLU 51 Cb 0.37 0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 3i07 h GLU 51 CO 0.01 1.29 0.60 1.96 -1.40 0.00 0.00 179.01 181.47 3i07 h GLN 52 N 0.46 1.18 -0.49 2.33 4.20 -1.87 -0.41 115.11 120.51 3i07 h GLN 52 Ca -0.09 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3i07 h GLN 52 Cb 1.54 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3i07 h GLN 52 CO 0.18 0.78 0.01 -0.07 -0.67 0.00 0.00 178.83 179.06 3i07 h LEU 53 N 1.21 0.84 -0.58 1.46 3.38 -1.31 -1.27 115.31 119.05 3i07 h LEU 53 Ca 0.34 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3i07 h LEU 53 Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3i07 h LEU 53 CO -0.09 0.94 0.17 0.15 0.09 0.00 0.00 178.44 179.70 3i07 h PHE 54 N 0.72 0.95 -0.11 1.13 3.57 -0.95 -1.38 116.94 120.88 3i07 h PHE 54 Ca 0.14 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3i07 h PHE 54 Cb 0.50 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3i07 h PHE 54 CO 0.04 0.80 0.07 0.00 -2.23 0.00 0.00 178.31 176.98 3i07 h ALA 55 N 1.04 0.14 -0.46 2.41 0.00 -0.77 0.30 119.26 121.92 3i07 h ALA 55 Ca 0.19 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3i07 h ALA 55 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3i07 h ALA 55 CO -0.00 -0.38 0.10 -0.24 0.00 0.00 0.00 179.25 178.73 3i07 h VAL 56 N 0.14 1.24 -0.43 0.00 3.04 -1.21 -0.63 116.25 118.40 3i07 h VAL 56 Ca 0.04 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3i07 h VAL 56 Cb -0.01 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.15 3i07 h VAL 56 CO -0.02 0.30 0.25 1.23 -1.01 0.00 0.00 177.57 178.33 3i07 h GLY 57 N 0.63 0.63 1.07 3.17 0.00 -1.07 -1.99 103.07 105.50 3i07 h GLY 57 Ca 0.14 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 3i07 h GLY 57 CO 0.00 0.26 -0.62 -1.82 0.00 0.00 0.00 176.54 174.36 3i07 h TYR 58 N 0.57 0.97 -0.40 5.60 -0.00 -0.89 -0.48 116.97 122.33 3i07 h TYR 58 Ca 0.15 -0.40 0.05 0.00 -0.00 0.00 0.00 58.73 58.53 3i07 h TYR 58 Cb 0.01 -0.16 -0.04 0.00 -0.00 0.00 0.00 36.73 36.54 3i07 h TYR 58 CO -0.03 1.21 0.15 0.00 -0.00 0.00 0.00 178.16 179.49 3i07 h ALA 59 N 0.57 0.48 -0.26 1.82 0.00 -1.09 0.80 119.26 121.58 3i07 h ALA 59 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i07 h ALA 59 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3i07 h ALA 59 CO 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.11 3i07 h ALA 60 N 1.26 0.35 -0.40 0.00 0.00 -1.26 -1.20 119.26 118.01 3i07 h ALA 60 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i07 h ALA 60 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i07 h ALA 60 CO -0.18 0.12 0.25 0.00 0.00 0.00 0.00 179.25 179.43 3i07 h PHE 62 N 0.53 1.06 -0.78 0.00 3.57 -0.83 -0.09 116.94 120.40 3i07 h PHE 62 Ca 0.14 -0.33 0.10 0.00 3.53 0.00 0.00 57.97 61.42 3i07 h PHE 62 Cb -0.02 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.42 3i07 h PHE 62 CO -0.04 1.14 0.42 1.03 -2.23 0.00 0.00 178.31 178.63 3i07 h SER 63 N 0.68 0.56 -0.52 0.41 0.87 -1.13 -1.34 113.55 113.09 3i07 h SER 63 Ca 0.05 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 3i07 h SER 63 Cb 0.97 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 3i07 h SER 63 CO 0.09 0.31 -0.07 -1.13 -0.53 0.00 0.00 176.83 175.50 3i07 h ASN 64 N 0.69 0.95 -0.90 6.23 -1.24 -0.79 -1.67 115.58 118.85 3i07 h ASN 64 Ca 0.39 -0.34 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 3i07 h ASN 64 Cb 0.41 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 3i07 h ASN 64 CO -0.27 1.07 0.54 0.00 -1.29 0.00 0.00 177.43 177.47 3i07 h ALA 65 N 0.92 1.15 -0.33 1.57 0.00 -0.48 0.25 119.26 122.33 3i07 h ALA 65 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i07 h ALA 65 Cb 0.62 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i07 h ALA 65 CO 0.04 0.62 0.14 0.82 0.00 0.00 0.00 179.25 180.87 3i07 h ILE 66 N 1.24 1.18 -0.93 0.00 2.04 -0.99 -1.37 117.51 118.68 3i07 h ILE 66 Ca 0.32 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3i07 h ILE 66 Cb -0.04 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3i07 h ILE 66 CO -0.06 0.19 0.57 -0.07 0.00 0.00 0.00 178.15 178.78 3i07 h LEU 67 N 0.39 1.10 0.25 1.44 3.38 -0.81 -0.37 115.31 120.69 3i07 h LEU 67 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i07 h LEU 67 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3i07 h LEU 67 CO -0.01 0.83 -0.12 -0.74 0.09 0.00 0.00 178.44 178.49 3i07 h HIS 68 N 1.27 -0.31 -0.55 1.13 2.76 -0.29 -1.14 115.15 118.01 3i07 h HIS 68 Ca 0.33 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.42 3i07 h HIS 68 Cb -0.08 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3i07 h HIS 68 CO 0.00 -0.19 0.05 0.28 -1.30 0.00 0.00 177.93 176.77 3i07 h VAL 69 N -0.34 1.26 -0.80 5.26 2.07 -1.02 -1.65 116.25 121.03 3i07 h VAL 69 Ca -0.03 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.54 3i07 h VAL 69 Cb 0.26 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 3i07 h VAL 69 CO 0.06 0.38 0.44 0.00 0.02 0.00 0.00 177.57 178.46 3i07 h ALA 70 N 0.98 1.13 -0.32 1.67 0.00 -0.96 -0.05 119.26 121.71 3i07 h ALA 70 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3i07 h ALA 70 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i07 h ALA 70 CO 0.02 0.04 0.08 -0.09 0.00 0.00 0.00 179.25 179.30 3i07 h ARG 71 N 0.72 0.50 0.00 0.00 2.43 -0.89 0.16 114.38 117.30 3i07 h ARG 71 Ca 0.39 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3i07 h ARG 71 Cb 0.39 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3i07 h ARG 71 CO -0.26 0.56 -0.16 0.93 -1.51 0.00 0.00 179.97 179.52 3i07 h GLU 72 N 0.35 0.00 -0.01 0.20 4.39 -0.78 -2.16 114.58 116.57 3i07 h GLU 72 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3i07 h GLU 72 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3i07 h GLU 72 CO -0.00 0.16 -0.18 0.00 -1.16 0.00 0.00 179.01 177.83 3i07 n ALA 73 N -2.50 2.93 -4.01 3.43 0.00 -0.08 -4.94 120.51 115.34 3i07 n ALA 73 Ca -0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 3i07 n ALA 73 Cb 0.23 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.60 -4.59 -3.54 0.00 5.02 -0.24 -4.97 118.16 109.24 3i07 n LYS 74 Ca 0.14 0.51 -0.39 0.00 -2.02 0.00 0.00 58.31 56.55 3i07 n LYS 74 Cb 0.33 -5.28 -0.11 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.36 5.28 -0.26 -0.18 1.01 -0.12 -5.02 120.40 117.74 3i07 s VAL 75 Ca 0.61 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3i07 s VAL 75 Cb -0.31 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3i07 s VAL 75 CO 0.87 0.14 1.76 0.00 0.00 0.00 0.00 175.10 177.87 3i07 s ALA 76 N 1.79 3.05 -0.06 5.51 0.00 -1.26 -4.45 121.76 126.34 3i07 s ALA 76 Ca 0.08 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3i07 s ALA 76 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3i07 s ALA 76 CO 0.11 -2.32 -0.17 -0.51 0.00 0.00 0.00 175.76 172.87 3i07 s LEU 77 N 6.20 1.86 0.17 0.00 1.43 -1.26 -5.01 118.68 122.08 3i07 s LEU 77 Ca 0.78 -0.36 0.23 0.00 -1.03 0.00 0.00 54.13 53.75 3i07 s LEU 77 Cb -0.25 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.05 3i07 s LEU 77 CO 0.32 0.12 1.08 0.29 0.23 0.00 0.00 176.35 178.40 3i07 n LYS 78 N 3.36 0.52 -3.62 1.70 4.76 -1.26 -4.98 118.16 118.64 3i07 n LYS 78 Ca -0.19 0.10 -0.04 0.00 -2.87 0.00 0.00 58.31 55.31 3i07 n LYS 78 Cb 0.53 -1.78 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 3i07 n LYS 78 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3i07 s GLU 79 N -3.32 0.72 -0.43 1.97 -1.05 -1.26 -5.12 118.70 110.21 3i07 s GLU 79 Ca 0.01 -0.35 0.05 0.00 -0.15 0.00 0.00 54.97 54.53 3i07 s GLU 79 Cb 0.11 0.28 0.18 0.00 -0.44 0.00 0.00 34.13 34.25 3i07 s GLU 79 CO 0.78 -0.32 0.41 0.00 0.95 0.00 0.00 175.26 177.08 3i07 n ALA 80 N -0.34 2.05 -1.69 -0.84 0.00 -1.26 -4.80 120.51 113.63 3i07 n ALA 80 Ca -0.06 -2.76 -0.43 0.00 0.00 0.00 0.00 53.44 50.19 3i07 n ALA 80 Cb 0.61 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 3i07 n ALA 80 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i07 n PRO 81 N 2.82 2.72 -4.15 0.00 -0.02 -1.25 -4.60 135.00 130.51 3i07 n PRO 81 Ca 0.28 0.99 -0.22 0.00 -2.02 0.00 0.00 63.50 62.53 3i07 n PRO 81 Cb 0.49 -2.87 -0.17 0.00 -0.02 0.00 0.00 33.50 30.94 3i07 n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i07 s VAL 82 N 2.65 0.68 -0.28 -1.45 1.01 -1.26 -0.51 120.40 121.25 3i07 s VAL 82 Ca 0.82 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 3i07 s VAL 82 Cb -0.51 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3i07 s VAL 82 CO 0.38 0.27 0.14 -0.89 0.00 0.00 0.00 175.10 175.00 3i07 s THR 83 N 1.12 4.75 -0.23 3.92 2.01 -0.06 -4.86 115.64 122.28 3i07 s THR 83 Ca -0.07 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 3i07 s THR 83 Cb -0.14 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3i07 s THR 83 CO -0.01 0.23 0.16 0.00 -0.69 0.00 0.00 174.62 174.31 3i07 s ALA 84 N 1.67 3.63 -0.20 7.40 0.00 -1.26 -0.68 121.76 132.31 3i07 s ALA 84 Ca 0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3i07 s ALA 84 Cb -0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 3i07 s ALA 84 CO 0.07 -0.12 -0.06 0.99 0.00 0.00 0.00 175.76 176.64 3i07 s THR 85 N 0.90 3.32 -0.15 0.00 2.01 0.48 -4.90 115.64 117.31 3i07 s THR 85 Ca 0.08 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3i07 s THR 85 Cb -0.13 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.91 3i07 s THR 85 CO 0.03 0.45 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.54 3i07 s VAL 86 N 1.24 1.81 0.23 3.82 1.01 -1.26 -0.96 120.40 126.29 3i07 s VAL 86 Ca 0.03 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.31 3i07 s VAL 86 Cb -0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3i07 s VAL 86 CO -0.02 0.50 -0.16 -0.83 0.00 0.00 0.00 175.10 174.59 3i07 s GLY 87 N 1.18 1.76 0.01 4.51 0.00 -0.28 -4.96 107.32 109.54 3i07 s GLY 87 Ca -0.00 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.07 3i07 s GLY 87 CO -0.08 -1.73 -0.09 -1.50 0.00 0.00 0.00 173.10 169.70 3i07 s ILE 88 N -2.04 0.71 0.25 0.90 2.07 -1.26 -0.66 121.20 121.17 3i07 s ILE 88 Ca 0.26 -0.53 -0.22 0.00 -1.41 0.00 0.00 60.65 58.75 3i07 s ILE 88 Cb -0.07 -0.63 0.05 0.00 0.13 0.00 0.00 42.46 41.94 3i07 s ILE 88 CO 0.14 0.09 0.85 -0.83 -1.91 0.00 0.00 174.94 173.28 3i07 s GLY 89 N -0.49 -0.03 0.42 1.50 0.00 -0.80 -5.01 107.32 102.91 3i07 s GLY 89 Ca 0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 3i07 s GLY 89 CO -0.00 0.18 1.17 2.56 0.00 0.00 0.00 173.10 177.01 3i07 s PRO 90 N -3.23 3.95 0.80 2.90 0.04 -1.26 -1.05 135.00 137.16 3i07 s PRO 90 Ca 0.13 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 3i07 s PRO 90 Cb -0.04 -2.59 0.16 0.00 0.04 0.00 0.00 34.50 32.08 3i07 s PRO 90 CO 0.06 -0.40 1.10 0.54 0.04 0.00 0.00 177.00 178.34 3i07 s ASN 91 N -1.20 3.90 -0.00 6.66 2.20 -0.08 -4.75 114.94 121.66 3i07 s ASN 91 Ca 0.59 -0.33 0.03 0.00 -0.94 0.00 0.00 52.86 52.21 3i07 s ASN 91 Cb -0.30 0.11 0.09 0.00 -2.00 0.00 0.00 41.25 39.15 3i07 s ASN 91 CO 0.37 -2.18 1.04 0.61 -2.94 0.00 0.00 177.10 174.01 3i07 n GLY 92 N -3.11 -0.39 0.00 0.45 0.00 -1.26 -4.10 105.19 96.79 3i07 n GLY 92 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.19 1.20 0.00 1.61 6.02 -1.26 -4.98 117.38 119.77 3i07 n GLN 93 Ca 0.03 -0.92 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 3i07 n GLN 93 Cb 0.10 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.52 3i07 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i07 n GLY 94 N -0.24 0.68 0.00 1.08 0.00 -1.26 -5.07 105.19 100.38 3i07 n GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.96 6.60 3.18 -0.02 0.00 -1.26 -5.00 105.19 106.73 3i07 n GLY 95 Ca 0.00 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.81 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 1.04 1.17 0.02 1.61 0.08 -1.26 -0.90 117.98 119.72 3i07 s PHE 96 Ca 0.00 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 3i07 s PHE 96 Cb 0.00 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 3i07 s PHE 96 CO 0.00 0.05 0.01 0.00 -0.10 0.00 0.00 175.22 175.18 3i07 s ALA 97 N -1.81 0.02 0.07 5.36 0.00 -0.21 -4.78 121.76 120.40 3i07 s ALA 97 Ca 0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 3i07 s ALA 97 Cb -0.07 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 3i07 s ALA 97 CO 0.02 -0.18 0.33 -0.51 0.00 0.00 0.00 175.76 175.41 3i07 s LEU 98 N -1.48 4.33 0.01 0.00 1.43 -1.26 -1.91 118.68 119.80 3i07 s LEU 98 Ca -0.15 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 3i07 s LEU 98 Cb -0.09 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3i07 s LEU 98 CO -0.01 0.16 -0.09 -0.44 0.23 0.00 0.00 176.35 176.21 3i07 s SER 99 N -2.02 4.46 -0.02 2.29 0.01 0.17 -4.83 113.70 113.76 3i07 s SER 99 Ca 0.34 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.41 3i07 s SER 99 Cb -0.13 -0.99 0.02 0.00 0.21 0.00 0.00 66.02 65.13 3i07 s SER 99 CO 0.20 0.28 -0.00 -0.69 0.41 0.00 0.00 173.24 173.44 3i07 s VAL 100 N -0.97 0.15 -0.01 3.43 1.01 -1.26 -1.12 120.40 121.63 3i07 s VAL 100 Ca 0.16 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.27 3i07 s VAL 100 Cb -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3i07 s VAL 100 CO 0.07 0.12 -0.22 0.00 0.00 0.00 0.00 175.10 175.06 3i07 s ALA 101 N 0.79 1.87 -0.21 5.51 0.00 -0.14 -1.08 121.76 128.51 3i07 s ALA 101 Ca -0.08 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3i07 s ALA 101 Cb -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.60 3i07 s ALA 101 CO -0.01 0.45 -0.12 -0.51 0.00 0.00 0.00 175.76 175.56 3i07 s LEU 102 N -0.64 2.49 -0.35 0.00 1.43 0.18 -0.38 118.68 121.41 3i07 s LEU 102 Ca 0.09 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.19 3i07 s LEU 102 Cb -0.09 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.85 3i07 s LEU 102 CO -0.00 -0.13 0.12 0.00 0.23 0.00 0.00 176.35 176.57 3i07 s ALA 103 N 1.32 3.04 0.10 4.21 0.00 0.15 -0.83 121.76 129.74 3i07 s ALA 103 Ca -0.02 -1.96 -0.18 0.00 0.00 0.00 0.00 51.96 49.81 3i07 s ALA 103 Cb -0.16 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.62 3i07 s ALA 103 CO -0.08 -1.45 0.57 0.00 0.00 0.00 0.00 175.76 174.79 3i07 s ALA 104 N 1.32 3.58 -0.45 0.00 0.00 -0.08 -0.88 121.76 125.25 3i07 s ALA 104 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3i07 s ALA 104 Cb -0.21 -2.61 0.14 0.00 0.00 0.00 0.00 23.12 20.44 3i07 s ALA 104 CO 0.00 0.41 0.25 -1.01 0.00 0.00 0.00 175.76 175.42 3i07 s HIS 105 N -1.22 2.06 0.20 0.00 3.76 0.34 -0.60 115.29 119.83 3i07 s HIS 105 Ca 0.32 -2.48 0.08 0.00 -0.15 0.00 0.00 55.06 52.82 3i07 s HIS 105 Cb -0.18 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 3i07 s HIS 105 CO 0.19 -0.77 -0.15 0.96 -0.85 0.00 0.00 174.74 174.12 3i07 s ILE 106 N 0.26 1.74 -0.81 0.60 -4.36 -1.26 -3.95 121.20 113.42 3i07 s ILE 106 Ca 0.18 -2.15 -0.06 0.00 -0.26 0.00 0.00 60.65 58.36 3i07 s ILE 106 Cb -0.23 -1.99 -0.05 0.00 1.25 0.00 0.00 42.46 41.44 3i07 s ILE 106 CO -0.01 -0.54 2.95 0.00 0.24 0.00 0.00 174.94 177.58 3i07 n ALA 107 N -0.24 6.78 -3.48 2.27 0.00 -1.26 -4.79 120.51 119.79 3i07 n ALA 107 Ca -0.09 -3.09 -0.15 0.00 0.00 0.00 0.00 53.44 50.11 3i07 n ALA 107 Cb 0.60 -2.62 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 3i07 n ALA 107 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i07 s LEU 108 N -1.07 -0.29 0.27 0.00 2.96 -1.26 -4.99 118.68 114.30 3i07 s LEU 108 Ca 0.62 0.90 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 3i07 s LEU 108 Cb 0.27 2.14 -0.05 0.00 0.50 0.00 0.00 46.19 49.05 3i07 s LEU 108 CO -0.10 -0.38 0.09 -1.61 -1.32 0.00 0.00 176.35 173.03 3i07 s GLU 109 N -0.43 1.47 4.78 1.98 0.41 -1.26 -4.73 118.70 120.92 3i07 s GLU 109 Ca -0.06 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 52.70 3i07 s GLU 109 Cb -0.03 -0.37 0.00 0.00 -1.78 0.00 0.00 34.13 31.95 3i07 s GLU 109 CO 0.05 -0.29 0.00 -0.25 -0.49 0.00 0.00 175.26 174.28 3i07 n ASP 110 N -0.54 0.00 0.14 -0.19 10.43 -1.26 -2.12 116.55 123.02 3i07 n ASP 110 Ca -0.00 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.35 3i07 n ASP 110 Cb 0.66 0.00 0.25 0.00 1.84 0.00 0.00 41.12 43.87 3i07 n ASP 110 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3i07 h GLU 111 N 0.00 0.06 -0.65 -1.24 4.39 -1.99 -1.72 114.58 113.43 3i07 h GLU 111 Ca 0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 3i07 h GLU 111 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3i07 h GLU 111 CO 0.00 0.54 0.36 0.37 -1.16 0.00 0.00 179.01 179.12 3i07 h GLN 112 N 0.05 0.66 -0.45 2.33 4.15 -1.97 0.02 115.11 119.89 3i07 h GLN 112 Ca -0.00 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 3i07 h GLN 112 Cb 0.88 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 3i07 h GLN 112 CO 0.07 0.44 -0.11 0.00 -1.93 0.00 0.00 178.83 177.29 3i07 h ALA 113 N 1.33 0.62 -0.33 3.38 0.00 -0.94 -1.33 119.26 121.99 3i07 h ALA 113 Ca 0.29 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i07 h ALA 113 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3i07 h ALA 113 CO -0.17 0.52 0.14 -0.09 0.00 0.00 0.00 179.25 179.65 3i07 h ARG 114 N 0.71 0.28 -0.16 0.00 2.43 -0.96 -1.04 114.38 115.65 3i07 h ARG 114 Ca 0.11 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3i07 h ARG 114 Cb 0.66 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3i07 h ARG 114 CO 0.05 0.19 0.07 1.96 -1.51 0.00 0.00 179.97 180.72 3i07 h GLN 115 N 0.29 0.15 -0.04 0.20 4.20 -0.83 0.49 115.11 119.57 3i07 h GLN 115 Ca 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3i07 h GLN 115 Cb 0.09 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3i07 h GLN 115 CO -0.13 0.10 0.02 1.25 -0.67 0.00 0.00 178.83 179.40 3i07 h LEU 116 N 0.15 0.05 -1.01 1.46 6.46 -0.91 -1.41 115.31 120.11 3i07 h LEU 116 Ca 0.07 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.56 3i07 h LEU 116 Cb 0.03 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3i07 h LEU 116 CO -0.06 0.20 -0.48 0.58 -0.62 0.00 0.00 178.44 178.06 3i07 h VAL 117 N -0.10 1.30 -0.25 1.05 2.07 -1.16 -1.62 116.25 117.54 3i07 h VAL 117 Ca 0.01 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 3i07 h VAL 117 Cb 0.17 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3i07 h VAL 117 CO -0.00 0.47 0.15 0.74 0.02 0.00 0.00 177.57 178.95 3i07 h THR 118 N 0.00 1.10 -0.38 2.57 2.02 -0.68 -0.30 112.91 117.24 3i07 h THR 118 Ca -0.00 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3i07 h THR 118 Cb 0.88 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3i07 h THR 118 CO 0.06 0.09 0.22 0.58 0.37 0.00 0.00 175.52 176.85 3i07 h VAL 119 N 0.31 1.04 -0.86 3.16 2.07 -1.01 -2.44 116.25 118.52 3i07 h VAL 119 Ca 0.09 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.55 3i07 h VAL 119 Cb 0.02 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3i07 h VAL 119 CO -0.02 0.08 0.50 0.00 0.02 0.00 0.00 177.57 178.16 3i07 h ALA 120 N 1.17 1.25 0.00 1.67 0.00 -0.91 -0.90 119.26 121.53 3i07 h ALA 120 Ca 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i07 h ALA 120 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i07 h ALA 120 CO -0.07 0.12 -0.09 1.25 0.00 0.00 0.00 179.25 180.46 3i07 h HIS 121 N 0.83 0.00 0.07 0.00 6.17 -0.72 -0.86 115.15 120.63 3i07 h HIS 121 Ca 0.42 0.00 -0.24 0.00 0.71 0.00 0.00 60.37 61.26 3i07 h HIS 121 Cb 0.40 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.32 3i07 h HIS 121 CO -0.05 0.09 -1.11 1.96 0.71 0.00 0.00 177.93 179.53 3i07 h GLN 122 N 0.00 0.17 0.05 5.26 1.08 -0.73 -3.38 115.11 117.57 3i07 h GLN 122 Ca -0.00 -0.28 -0.28 0.00 -1.45 0.00 0.00 58.65 56.64 3i07 h GLN 122 Cb 0.58 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3i07 h GLN 122 CO 0.01 1.11 -1.47 0.28 -0.95 0.00 0.00 178.83 177.82 3i07 h VAL 123 N 0.05 1.18 -2.65 -0.54 2.07 -0.96 -3.44 116.25 111.96 3i07 h VAL 123 Ca -0.08 -2.91 -0.53 0.00 0.82 0.00 0.00 66.70 64.00 3i07 h VAL 123 Cb 1.84 2.66 0.03 0.00 -1.52 0.00 0.00 31.29 34.31 3i07 h VAL 123 CO 0.17 0.76 1.02 0.00 0.02 0.00 0.00 177.57 179.54 3i07 h PRO 125 N 8.20 0.35 -0.67 0.00 0.13 -1.91 -1.20 132.00 136.91 3i07 h PRO 125 Ca -0.44 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 3i07 h PRO 125 Cb 1.21 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3i07 h PRO 125 CO 0.93 0.47 0.12 1.88 -0.23 0.00 0.00 178.00 181.17 3i07 h TYR 126 N 0.33 1.15 -0.36 1.56 0.99 -1.96 -1.00 116.97 117.68 3i07 h TYR 126 Ca 0.07 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 3i07 h TYR 126 Cb 0.40 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.80 3i07 h TYR 126 CO 0.01 0.96 0.19 0.77 -0.00 0.00 0.00 178.16 180.09 3i07 h SER 127 N 1.02 0.47 -0.27 3.88 0.02 -1.67 -2.46 113.55 114.53 3i07 h SER 127 Ca 0.20 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3i07 h SER 127 Cb 0.42 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3i07 h SER 127 CO 0.01 0.44 0.11 0.78 -1.14 0.00 0.00 176.83 177.03 3i07 h ASN 128 N 0.46 0.42 0.13 3.07 -0.26 -1.10 -1.90 115.58 116.40 3i07 h ASN 128 Ca 0.13 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 3i07 h ASN 128 Cb 0.09 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3i07 h ASN 128 CO -0.02 0.41 -0.34 0.00 -1.06 0.00 0.00 177.43 176.42 3i07 h ALA 129 N 1.66 1.14 -0.10 -0.83 0.00 -0.81 -3.24 119.26 117.08 3i07 h ALA 129 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i07 h ALA 129 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i07 h ALA 129 CO -0.01 0.56 0.00 1.33 0.00 0.00 0.00 179.25 181.13 3i07 n VAL 130 N -4.08 0.17 -1.64 0.00 0.24 -0.96 -5.00 118.33 107.07 3i07 n VAL 130 Ca -0.01 -0.58 -0.51 0.00 -2.04 0.00 0.00 64.34 61.20 3i07 n VAL 130 Cb 0.44 1.19 -0.06 0.00 -1.47 0.00 0.00 33.84 33.95 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 0.91 1.51 0.00 7.34 3.00 -0.73 -1.59 116.66 127.10 3i07 n ARG 131 Ca 0.11 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.50 3i07 n ARG 131 Cb 0.42 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.63 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 3.16 2.54 0.07 5.14 0.00 -1.26 -2.68 105.19 112.16 3i07 n GLY 132 Ca 0.19 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3i07 n GLY 132 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i07 h ASN 133 N 0.00 0.00 -3.43 1.61 2.35 -1.68 -3.43 115.58 111.00 3i07 h ASN 133 Ca 0.00 -0.63 -0.60 0.00 -0.55 0.00 0.00 56.30 54.52 3i07 h ASN 133 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 3i07 h ASN 133 CO 0.00 0.91 -0.36 -0.63 -1.65 0.00 0.00 177.43 175.70 3i07 s ILE 134 N -2.06 5.30 -1.05 2.81 1.01 -0.83 -5.01 121.20 121.38 3i07 s ILE 134 Ca -0.15 0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.74 3i07 s ILE 134 Cb -0.01 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 38.94 3i07 s ILE 134 CO 0.47 0.34 1.41 -0.62 0.00 0.00 0.00 174.94 176.54 3i07 s ASP 135 N 0.80 6.62 -0.01 3.58 2.15 -1.26 -4.71 116.67 123.83 3i07 s ASP 135 Ca 0.14 -1.84 -0.30 0.00 0.43 0.00 0.00 52.55 50.98 3i07 s ASP 135 Cb -0.13 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 39.91 3i07 s ASP 135 CO 0.04 -1.30 1.50 -0.69 -0.17 0.00 0.00 175.17 174.55 3i07 s VAL 136 N 4.08 3.57 -0.73 1.11 1.01 -1.26 -4.65 120.40 123.53 3i07 s VAL 136 Ca 0.44 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 3i07 s VAL 136 Cb -0.01 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 32.92 3i07 s VAL 136 CO -0.07 -0.02 0.86 -1.10 0.00 0.00 0.00 175.10 174.77 3i07 s GLN 137 N 2.87 3.29 -0.09 2.72 -1.52 -0.24 -4.95 119.66 121.75 3i07 s GLN 137 Ca 0.67 -1.57 -0.11 0.00 -1.95 0.00 0.00 55.36 52.40 3i07 s GLN 137 Cb -0.33 -4.47 -0.05 0.00 -0.22 0.00 0.00 33.01 27.95 3i07 s GLN 137 CO 0.28 -1.60 0.27 0.08 -0.25 0.00 0.00 175.29 174.07 3i07 s VAL 138 N 2.45 5.29 0.06 1.09 1.01 -1.26 -0.64 120.40 128.39 3i07 s VAL 138 Ca 0.19 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3i07 s VAL 138 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3i07 s VAL 138 CO -0.00 0.55 -0.04 -0.94 0.00 0.00 0.00 175.10 174.66 3i07 s SER 139 N -0.67 0.65 -0.12 3.32 1.04 -0.01 -1.42 113.70 116.49 3i07 s SER 139 Ca 0.18 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 3i07 s SER 139 Cb -0.14 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3i07 s SER 139 CO 0.07 -0.46 -0.07 -0.69 0.98 0.00 0.00 173.24 173.07 3i07 s VAL 140 N -3.09 0.98 -1.47 5.02 1.01 0.83 -0.90 120.40 122.78 3i07 s VAL 140 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 3i07 s VAL 140 Cb 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.43 3i07 s VAL 140 CO -0.06 0.33 0.84 0.59 0.00 0.00 0.00 175.10 176.80 3i07 n ASN 141 N 4.95 -5.00 0.00 3.32 3.02 0.24 -1.36 115.26 120.44 3i07 n ASN 141 Ca -0.12 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3i07 n ASN 141 Cb 0.50 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -1.59 1.22 3.57 7.41 0.00 -1.26 -5.04 105.19 109.50 3i07 n GLY 142 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i07 n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i07 s LEU 143 N 0.00 3.15 0.41 0.99 1.43 -0.46 -5.05 118.68 119.15 3i07 s LEU 143 Ca 0.00 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 3i07 s LEU 143 Cb 0.00 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.43 3i07 s LEU 143 CO 0.00 0.34 1.27 0.00 0.23 0.00 0.00 176.35 178.19 3i07 n ALA 144 N 2.36 1.29 0.90 4.21 0.00 -1.26 -0.12 120.51 127.89 3i07 n ALA 144 Ca -0.18 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.61 3i07 n ALA 144 Cb 0.53 -2.26 0.43 0.00 0.00 0.00 0.00 19.45 18.14 3i07 n ALA 144 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39