#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm9 s GLU 2 N 0.00 1.38 0.00 0.03 0.41 -1.26 -5.04 118.70 114.22 1tm9 s GLU 2 Ca 0.00 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.26 1tm9 s GLU 2 Cb 0.00 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 1tm9 s GLU 2 CO 0.00 -2.13 0.00 1.04 -0.49 0.00 0.00 175.26 173.68 1tm9 n GLN 3 N -3.79 0.00 0.00 1.61 3.00 -1.26 -5.10 117.38 111.85 1tm9 n GLN 3 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1tm9 n GLN 3 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 30.24 30.64 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1tm9 n ASN 4 N 0.00 0.00 0.00 1.08 0.23 -1.26 -4.99 115.26 110.32 1tm9 n ASN 4 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1tm9 n ASN 4 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1tm9 n ASN 4 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1tm9 n ASN 5 N 0.00 0.00 0.00 0.53 2.85 -1.26 -4.14 115.26 113.24 1tm9 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1tm9 n ASN 5 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1tm9 n ASN 5 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1tm9 n ILE 6 N 0.00 0.00 -0.18 -1.44 2.08 -1.26 0.38 119.36 118.93 1tm9 n ILE 6 Ca 0.00 1.00 0.01 0.00 0.56 0.00 0.00 62.75 64.32 1tm9 n ILE 6 Cb 0.00 -1.43 0.04 0.00 -0.75 0.00 0.00 39.64 37.50 1tm9 n ILE 6 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1tm9 n LYS 7 N -1.57 -0.09 0.27 0.38 4.76 -1.26 0.23 118.16 120.87 1tm9 n LYS 7 Ca 0.00 0.76 -0.17 0.00 -2.87 0.00 0.00 58.31 56.03 1tm9 n LYS 7 Cb 0.00 -1.13 -0.09 0.00 -1.84 0.00 0.00 35.03 31.97 1tm9 n LYS 7 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1tm9 h GLU 8 N 0.00 -0.84 -1.04 1.97 4.81 -0.23 -1.03 114.58 118.22 1tm9 h GLU 8 Ca 0.19 0.06 0.28 0.00 -0.13 0.00 0.00 59.36 59.76 1tm9 h GLU 8 Cb 0.32 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 1tm9 h GLU 8 CO -0.50 -0.56 0.71 1.96 -0.73 0.00 0.00 179.01 179.90 1tm9 h GLN 9 N -0.87 0.18 0.88 1.92 4.20 0.69 -0.38 115.11 121.74 1tm9 h GLN 9 Ca -0.04 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1tm9 h GLN 9 Cb 0.76 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.51 1tm9 h GLN 9 CO -0.05 0.12 -0.42 -0.07 -0.67 0.00 0.00 178.83 177.74 1tm9 h LEU 10 N 0.19 -1.01 -0.92 1.46 3.38 0.68 -2.81 115.31 116.28 1tm9 h LEU 10 Ca 0.53 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.67 1tm9 h LEU 10 Cb 1.74 0.26 -0.14 0.00 0.09 0.00 0.00 40.66 42.61 1tm9 h LEU 10 CO -0.13 -0.66 -0.40 -0.38 0.09 0.00 0.00 178.44 176.97 1tm9 n ILE 11 N -5.56 -0.51 -0.24 1.22 -0.00 -0.18 0.86 119.36 114.94 1tm9 n ILE 11 Ca -0.15 2.18 -0.05 0.00 -0.00 0.00 0.00 62.75 64.73 1tm9 n ILE 11 Cb 0.47 -2.84 -0.00 0.00 -0.00 0.00 0.00 39.64 37.27 1tm9 n ILE 11 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1tm9 h SER 12 N 0.00 -1.31 0.00 4.38 0.87 -1.38 1.56 113.55 117.67 1tm9 h SER 12 Ca 0.29 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1tm9 h SER 12 Cb 0.52 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1tm9 h SER 12 CO -0.91 -0.31 0.00 0.49 -0.53 0.00 0.00 176.83 175.57 1tm9 n PHE 13 N -5.43 0.00 -0.25 2.24 3.72 0.25 0.49 117.46 118.48 1tm9 n PHE 13 Ca 0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1tm9 n PHE 13 Cb 0.36 -0.41 0.03 0.00 -0.94 0.00 0.00 39.48 38.52 1tm9 n PHE 13 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tm9 h PHE 14 N 0.00 -0.86 -0.82 1.38 3.57 -0.70 0.86 116.94 120.38 1tm9 h PHE 14 Ca 0.00 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1tm9 h PHE 14 Cb 0.00 0.48 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1tm9 h PHE 14 CO 0.13 -0.38 0.53 -0.97 -2.23 0.00 0.00 178.31 175.39 1tm9 h ASN 15 N -0.10 0.75 -0.44 0.41 -1.24 0.22 -0.32 115.58 114.86 1tm9 h ASN 15 Ca 0.28 0.01 -0.29 0.00 0.71 0.00 0.00 56.30 57.01 1tm9 h ASN 15 Cb 0.56 -0.15 -0.12 0.00 0.73 0.00 0.00 38.32 39.34 1tm9 h ASN 15 CO -0.76 0.46 0.36 0.00 -1.29 0.00 0.00 177.43 176.20 1tm9 n GLN 16 N -4.50 1.74 0.07 6.67 1.13 0.30 -4.10 117.38 118.70 1tm9 n GLN 16 Ca 0.13 -1.42 0.00 0.00 -1.94 0.00 0.00 57.00 53.77 1tm9 n GLN 16 Cb 0.26 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tm9 n ALA 17 N 0.52 2.86 -0.25 -1.58 0.00 -0.16 -4.77 120.51 117.12 1tm9 n ALA 17 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.54 1tm9 n ALA 17 Cb 0.57 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.31 1tm9 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm9 n SER 19 N -5.73 0.00 -3.86 0.00 2.88 -1.26 -4.99 113.62 100.65 1tm9 n SER 19 Ca 0.13 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.44 1tm9 n SER 19 Cb 0.58 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.19 1tm9 n SER 19 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1tm9 n THR 20 N -2.00 0.00 -0.02 2.46 -2.24 -1.26 -5.03 114.28 106.19 1tm9 n THR 20 Ca 0.00 -1.05 -0.18 0.00 -2.27 0.00 0.00 64.05 60.55 1tm9 n THR 20 Cb 0.00 -1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 66.77 1tm9 n THR 20 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1tm9 n HIS 21 N -3.20 0.98 1.10 4.78 -0.00 -1.26 -3.88 115.22 113.74 1tm9 n HIS 21 Ca 0.14 0.23 0.11 0.00 -0.00 0.00 0.00 57.72 58.21 1tm9 n HIS 21 Cb 0.50 -1.14 0.58 0.00 -0.00 0.00 0.00 29.99 29.93 1tm9 n HIS 21 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1tm9 n GLN 22 N -3.33 0.37 -0.38 -0.41 6.02 -1.26 -3.52 117.38 114.87 1tm9 n GLN 22 Ca -0.31 0.07 0.30 0.00 -0.01 0.00 0.00 57.00 57.04 1tm9 n GLN 22 Cb 1.05 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 31.39 1tm9 n GLN 22 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1tm9 h GLU 23 N 0.00 0.23 -0.04 -1.09 4.22 -1.97 0.47 114.58 116.40 1tm9 h GLU 23 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 1tm9 h GLU 23 Cb 0.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1tm9 h GLU 23 CO 0.00 0.15 0.01 -0.09 -2.18 0.00 0.00 179.01 176.90 1tm9 h ARG 24 N 0.23 0.06 -0.64 1.92 1.12 -1.86 0.13 114.38 115.35 1tm9 h ARG 24 Ca 0.69 -0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.68 1tm9 h ARG 24 Cb 2.02 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.94 1tm9 h ARG 24 CO -0.33 0.27 0.44 -0.07 -3.11 0.00 0.00 179.97 177.17 1tm9 h LEU 25 N -0.16 0.28 0.00 3.80 3.38 -0.36 0.81 115.31 123.06 1tm9 h LEU 25 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1tm9 h LEU 25 Cb 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1tm9 h LEU 25 CO 0.00 0.16 -0.23 0.44 0.09 0.00 0.00 178.44 178.90 1tm9 h ASP 26 N 0.31 0.00 0.26 -0.43 3.32 -0.77 -3.33 116.42 115.77 1tm9 h ASP 26 Ca 0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1tm9 h ASP 26 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1tm9 h ASP 26 CO -0.08 0.13 -0.12 0.15 -1.72 0.00 0.00 179.24 177.60 1tm9 h PHE 27 N 0.00 -0.32 -1.79 4.55 3.04 0.33 0.28 116.94 123.03 1tm9 h PHE 27 Ca -0.00 -0.01 0.53 0.00 3.98 0.00 0.00 57.97 62.47 1tm9 h PHE 27 Cb 1.10 0.11 -0.08 0.00 2.56 0.00 0.00 35.95 39.63 1tm9 h PHE 27 CO 0.00 -0.20 1.28 0.44 -2.02 0.00 0.00 178.31 177.81 1tm9 n ILE 28 N -4.77 -0.03 -0.04 1.41 -5.35 0.00 0.22 119.36 110.80 1tm9 n ILE 28 Ca -0.04 1.43 -0.02 0.00 -0.27 0.00 0.00 62.75 63.84 1tm9 n ILE 28 Cb 0.14 -2.38 -0.01 0.00 -1.74 0.00 0.00 39.64 35.65 1tm9 n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tm9 h SER 30 N -0.59 -1.24 -0.94 0.00 0.02 0.27 0.63 113.55 111.70 1tm9 h SER 30 Ca 0.00 0.23 0.34 0.00 -0.84 0.00 0.00 61.79 61.52 1tm9 h SER 30 Cb 0.24 0.60 -0.17 0.00 0.14 0.00 0.00 62.40 63.21 1tm9 h SER 30 CO 0.00 -0.31 0.31 0.41 -1.14 0.00 0.00 176.83 176.09 1tm9 n THR 31 N -5.43 -0.40 -1.67 -2.27 -1.04 0.59 0.20 114.28 104.26 1tm9 n THR 31 Ca 0.03 1.98 -0.10 0.00 -2.04 0.00 0.00 64.05 63.92 1tm9 n THR 31 Cb 0.35 -3.08 0.14 0.00 -1.82 0.00 0.00 70.33 65.92 1tm9 n THR 31 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1tm9 n ARG 32 N -5.24 2.41 -2.69 -2.82 0.63 0.12 -4.69 116.66 104.38 1tm9 n ARG 32 Ca 0.30 -3.55 -0.05 0.00 -0.92 0.00 0.00 57.85 53.63 1tm9 n ARG 32 Cb 1.01 -1.95 0.10 0.00 0.45 0.00 0.00 32.46 32.08 1tm9 n ARG 32 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1tm9 n GLU 33 N -0.98 0.47 0.00 -0.14 4.07 0.53 -4.98 120.64 119.62 1tm9 n GLU 33 Ca 0.35 -1.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.28 1tm9 n GLU 33 Cb 0.89 -0.50 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 1tm9 n GLU 33 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1tm9 n SER 34 N 0.52 0.00 0.00 4.31 7.64 -0.77 -4.30 113.62 121.02 1tm9 n SER 34 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1tm9 n SER 34 Cb 0.73 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1tm9 n SER 34 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1tm9 n ASP 35 N -0.74 0.00 0.00 6.43 9.92 -1.26 -5.12 116.55 125.78 1tm9 n ASP 35 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1tm9 n ASP 35 Cb 0.00 0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1tm9 n ASP 35 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1tm9 n THR 36 N -1.40 0.00 -0.10 -3.53 5.66 -1.26 -5.07 114.28 108.58 1tm9 n THR 36 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1tm9 n THR 36 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1tm9 n THR 36 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1tm9 n PHE 37 N 0.00 0.00 1.93 1.09 3.72 -1.26 -4.10 117.46 118.84 1tm9 n PHE 37 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1tm9 n PHE 37 Cb 0.00 -0.83 0.46 0.00 -0.94 0.00 0.00 39.48 38.17 1tm9 n PHE 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tm9 n SER 38 N -2.96 0.15 -0.08 4.37 2.88 -1.26 -2.95 113.62 113.77 1tm9 n SER 38 Ca -0.34 -1.52 -0.08 0.00 -1.33 0.00 0.00 58.87 55.59 1tm9 n SER 38 Cb 0.96 -0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 64.28 1tm9 n SER 38 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tm9 n SER 39 N -0.65 1.12 -4.15 -3.46 2.88 -1.26 -5.01 113.62 103.09 1tm9 n SER 39 Ca 0.12 -0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.31 1tm9 n SER 39 Cb 0.08 0.87 0.08 0.00 -0.75 0.00 0.00 64.21 64.50 1tm9 n SER 39 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1tm9 n VAL 40 N -2.59 0.00 -0.11 2.46 0.31 -1.15 -4.95 118.33 112.29 1tm9 n VAL 40 Ca -0.26 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1tm9 n VAL 40 Cb 1.01 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 1tm9 n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1tm9 n ASP 41 N 1.28 -0.53 -1.58 4.52 -0.08 -1.26 -4.90 116.55 114.00 1tm9 n ASP 41 Ca 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1tm9 n ASP 41 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1tm9 n ASP 41 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1tm9 n VAL 42 N -1.46 -4.22 -2.54 5.18 3.14 -1.26 -4.86 118.33 112.31 1tm9 n VAL 42 Ca 0.00 1.96 -0.35 0.00 -2.96 0.00 0.00 64.34 62.98 1tm9 n VAL 42 Cb 0.00 -2.75 -0.04 0.00 -1.06 0.00 0.00 33.84 29.99 1tm9 n VAL 42 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1tm9 s PRO 43 N -3.75 3.95 0.02 1.45 0.04 -1.26 -4.97 135.00 130.48 1tm9 s PRO 43 Ca 0.00 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1tm9 s PRO 43 Cb 0.00 -2.29 -0.32 0.00 0.04 0.00 0.00 34.50 31.93 1tm9 s PRO 43 CO 0.00 -0.31 0.94 -0.07 0.04 0.00 0.00 177.00 177.60 1tm9 h LEU 44 N 1.96 0.66 -0.87 -3.56 3.38 -1.95 -2.90 115.31 112.02 1tm9 h LEU 44 Ca -0.49 -0.77 0.11 0.00 0.09 0.00 0.00 57.88 56.81 1tm9 h LEU 44 Cb 1.22 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 1tm9 h LEU 44 CO 0.60 1.62 -0.42 -0.62 0.09 0.00 0.00 178.44 179.71 1tm9 n GLU 45 N -3.62 -0.29 -0.01 1.13 1.02 -1.26 0.20 120.64 117.81 1tm9 n GLU 45 Ca -0.17 1.33 -0.12 0.00 -0.02 0.00 0.00 57.16 58.18 1tm9 n GLU 45 Cb 1.08 -1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 1tm9 n GLU 45 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1tm9 h PRO 46 N 0.00 -0.07 -0.76 3.49 0.13 -1.87 -3.31 132.00 129.62 1tm9 h PRO 46 Ca 0.22 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.50 1tm9 h PRO 46 Cb 0.44 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.45 1tm9 h PRO 46 CO -0.84 0.55 -0.25 0.82 -0.23 0.00 0.00 178.00 178.05 1tm9 h ILE 47 N -0.82 0.18 -1.32 -3.56 1.08 -1.03 2.09 117.51 114.13 1tm9 h ILE 47 Ca -0.01 0.00 0.38 0.00 -0.39 0.00 0.00 64.86 64.84 1tm9 h ILE 47 Cb 0.65 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1tm9 h ILE 47 CO 0.01 0.00 0.97 0.11 -0.69 0.00 0.00 178.15 178.55 1tm9 h LYS 48 N -0.04 0.00 -0.12 2.37 6.56 0.21 1.67 116.57 127.22 1tm9 h LYS 48 Ca 0.34 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.74 1tm9 h LYS 48 Cb 0.57 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1tm9 h LYS 48 CO -0.80 0.00 -0.68 -0.97 -2.06 0.00 0.00 179.45 174.95 1tm9 h ASN 49 N 0.00 0.80 -0.07 0.86 -0.73 0.33 -2.73 115.58 114.04 1tm9 h ASN 49 Ca 0.63 -0.64 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1tm9 h ASN 49 Cb 2.55 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.90 1tm9 h ASN 49 CO -0.01 1.32 0.00 2.30 -0.37 0.00 0.00 177.43 180.67 1tm9 n ILE 50 N -4.06 0.09 -0.04 2.57 -5.35 0.53 -2.84 119.36 110.25 1tm9 n ILE 50 Ca -0.08 -0.12 0.03 0.00 -0.27 0.00 0.00 62.75 62.32 1tm9 n ILE 50 Cb 0.69 -0.03 -0.17 0.00 -1.74 0.00 0.00 39.64 38.40 1tm9 n ILE 50 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1tm9 n ILE 51 N -0.36 0.52 -0.73 7.28 5.41 0.13 -4.30 119.36 127.31 1tm9 n ILE 51 Ca 0.11 -0.63 -0.13 0.00 1.00 0.00 0.00 62.75 63.09 1tm9 n ILE 51 Cb 0.12 -0.17 0.03 0.00 -0.71 0.00 0.00 39.64 38.91 1tm9 n ILE 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1tm9 n GLU 52 N -2.44 1.62 -0.02 0.38 1.02 -1.10 -3.57 120.64 116.53 1tm9 n GLU 52 Ca -0.15 -1.23 0.01 0.00 -0.02 0.00 0.00 57.16 55.78 1tm9 n GLU 52 Cb 0.79 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 1tm9 n GLU 52 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1tm9 n ILE 53 N 0.53 0.22 -1.31 -3.67 0.13 -1.26 -4.51 119.36 109.49 1tm9 n ILE 53 Ca 0.24 -0.26 -0.08 0.00 -1.10 0.00 0.00 62.75 61.54 1tm9 n ILE 53 Cb 0.59 -0.11 0.21 0.00 -0.84 0.00 0.00 39.64 39.49 1tm9 n ILE 53 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1tm9 n THR 54 N -2.00 2.72 0.08 9.51 -2.24 -1.23 -4.70 114.28 116.42 1tm9 n THR 54 Ca -0.06 -2.35 -0.03 0.00 -2.27 0.00 0.00 64.05 59.34 1tm9 n THR 54 Cb 0.44 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1tm9 n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1tm9 h LYS 55 N 1.24 -0.20 -7.07 -0.78 1.79 -1.79 -3.41 116.57 106.35 1tm9 h LYS 55 Ca 0.30 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 58.23 1tm9 h LYS 55 Cb 2.00 0.05 0.15 0.00 -1.58 0.00 0.00 32.23 32.85 1tm9 h LYS 55 CO 0.58 -0.13 0.53 -0.25 -1.08 0.00 0.00 179.45 179.09 1tm9 n ASP 56 N -2.69 2.22 0.21 0.86 9.92 -1.26 -4.88 116.55 120.92 1tm9 n ASP 56 Ca -0.03 0.88 0.06 0.00 -0.53 0.00 0.00 54.79 55.17 1tm9 n ASP 56 Cb 0.08 -1.56 0.47 0.00 -0.64 0.00 0.00 41.12 39.48 1tm9 n ASP 56 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1tm9 h GLU 57 N 0.82 0.00 0.00 -1.24 9.09 -1.99 -1.64 114.58 119.62 1tm9 h GLU 57 Ca -0.51 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.87 1tm9 h GLU 57 Cb 1.33 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1tm9 h GLU 57 CO 0.54 0.28 -0.15 -0.97 0.05 0.00 0.00 179.01 178.77 1tm9 h ASN 58 N 0.00 0.00 0.33 3.06 -0.73 -1.95 -2.76 115.58 113.52 1tm9 h ASN 58 Ca -0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1tm9 h ASN 58 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1tm9 h ASN 58 CO 0.04 0.15 -0.16 1.56 -0.37 0.00 0.00 177.43 178.65 1tm9 h GLN 59 N 0.00 -0.42 -0.94 6.67 1.08 -1.61 -1.88 115.11 118.01 1tm9 h GLN 59 Ca -0.00 0.03 0.28 0.00 -1.45 0.00 0.00 58.65 57.51 1tm9 h GLN 59 Cb 0.36 0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 27.73 1tm9 h GLN 59 CO 0.02 -0.20 0.30 1.96 -0.95 0.00 0.00 178.83 179.96 1tm9 h GLN 60 N -1.07 0.16 0.39 1.46 4.20 -1.46 1.68 115.11 120.46 1tm9 h GLN 60 Ca -0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1tm9 h GLN 60 Cb 0.42 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1tm9 h GLN 60 CO 0.07 0.10 -0.19 0.82 -0.67 0.00 0.00 178.83 178.97 1tm9 h ILE 61 N 0.16 0.00 -0.60 2.54 2.04 -1.54 0.24 117.51 120.36 1tm9 h ILE 61 Ca 0.64 -0.12 0.17 0.00 1.00 0.00 0.00 64.86 66.55 1tm9 h ILE 61 Cb 1.39 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1tm9 h ILE 61 CO -0.71 0.00 0.55 -0.33 0.00 0.00 0.00 178.15 177.65 1tm9 h GLU 62 N -0.64 0.00 0.17 2.37 5.08 -0.30 0.00 114.58 121.25 1tm9 h GLU 62 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1tm9 h GLU 62 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1tm9 h GLU 62 CO 0.09 0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.84 1tm9 h ILE 63 N 0.00 0.81 -0.91 3.13 2.04 0.27 -2.33 117.51 120.52 1tm9 h ILE 63 Ca 0.29 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 65.11 1tm9 h ILE 63 Cb 1.38 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 38.72 1tm9 h ILE 63 CO -0.00 0.21 -0.53 0.41 0.00 0.00 0.00 178.15 178.23 1tm9 n THR 64 N -4.93 -0.62 -0.25 -0.27 -1.04 0.83 0.18 114.28 108.19 1tm9 n THR 64 Ca -0.08 2.26 0.03 0.00 -2.04 0.00 0.00 64.05 64.23 1tm9 n THR 64 Cb 0.26 -2.79 0.26 0.00 -1.82 0.00 0.00 70.33 66.24 1tm9 n THR 64 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1tm9 h LYS 65 N 0.00 0.95 -0.81 -2.82 5.09 -1.60 -0.43 116.57 116.95 1tm9 h LYS 65 Ca 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.83 1tm9 h LYS 65 Cb 0.37 -0.21 -0.04 0.00 0.10 0.00 0.00 32.23 32.45 1tm9 h LYS 65 CO -0.85 0.63 0.51 0.82 -2.09 0.00 0.00 179.45 178.46 1tm9 h ILE 66 N 0.97 1.22 -0.63 0.07 2.04 0.24 0.00 117.51 121.43 1tm9 h ILE 66 Ca 0.34 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1tm9 h ILE 66 Cb 0.12 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1tm9 h ILE 66 CO -0.11 0.22 0.40 0.00 0.00 0.00 0.00 178.15 178.66 1tm9 h ALA 67 N 1.27 0.82 -0.68 1.87 0.00 0.27 -1.74 119.26 121.08 1tm9 h ALA 67 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1tm9 h ALA 67 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1tm9 h ALA 67 CO -0.06 0.16 0.35 0.28 0.00 0.00 0.00 179.25 179.98 1tm9 h VAL 68 N 0.79 1.22 -1.98 0.00 2.07 -0.63 -1.63 116.25 116.09 1tm9 h VAL 68 Ca 0.25 -0.59 0.58 0.00 0.82 0.00 0.00 66.70 67.76 1tm9 h VAL 68 Cb -0.01 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 1tm9 h VAL 68 CO -0.09 0.25 1.42 -3.20 0.02 0.00 0.00 177.57 175.97 1tm9 n ASN 69 N -4.48 0.01 -0.06 0.57 2.85 -0.09 0.18 115.26 114.23 1tm9 n ASN 69 Ca 0.05 1.01 -0.04 0.00 -0.11 0.00 0.00 54.58 55.49 1tm9 n ASN 69 Cb 0.11 -0.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.61 1tm9 n ASN 69 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1tm9 h ASN 70 N 0.00 0.00 -0.89 1.20 -0.73 -1.32 -3.26 115.58 110.58 1tm9 h ASN 70 Ca 0.95 0.00 0.24 0.00 1.87 0.00 0.00 56.30 59.36 1tm9 h ASN 70 Cb 3.79 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 42.23 1tm9 h ASN 70 CO -0.02 0.68 0.21 -0.29 -0.37 0.00 0.00 177.43 177.63 1tm9 h ILE 71 N -0.91 0.26 -0.20 2.57 6.09 -0.27 1.16 117.51 126.22 1tm9 h ILE 71 Ca 0.00 -0.06 0.04 0.00 -1.37 0.00 0.00 64.86 63.48 1tm9 h ILE 71 Cb 0.44 0.08 -0.04 0.00 0.47 0.00 0.00 36.82 37.77 1tm9 h ILE 71 CO 0.00 0.03 -0.07 0.11 -3.07 0.00 0.00 178.15 175.15 1tm9 h LYS 72 N 0.16 -0.03 -0.20 2.19 1.79 0.17 -0.99 116.57 119.66 1tm9 h LYS 72 Ca 0.56 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.95 1tm9 h LYS 72 Cb 1.16 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1tm9 h LYS 72 CO -0.70 -0.02 -0.25 1.15 -1.08 0.00 0.00 179.45 178.55 1tm9 h THR 73 N -0.04 1.26 0.00 -0.16 2.02 0.23 -1.41 112.91 114.81 1tm9 h THR 73 Ca 0.10 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1tm9 h THR 73 Cb 0.19 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1tm9 h THR 73 CO -0.22 0.38 0.00 0.18 0.37 0.00 0.00 175.52 176.22 1tm9 n LEU 74 N -4.14 0.41 -1.82 2.58 4.77 0.34 -1.90 117.00 117.24 1tm9 n LEU 74 Ca -0.01 0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1tm9 n LEU 74 Cb 0.39 -0.68 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1tm9 n LEU 74 CO 0.41 -0.71 1.13 -1.20 -1.33 0.00 0.00 177.39 175.69 1tm9 n SER 75 N -2.02 5.67 -1.00 -1.43 7.64 -0.53 -3.54 113.62 118.41 1tm9 n SER 75 Ca 0.00 -3.00 -0.04 0.00 1.01 0.00 0.00 58.87 56.85 1tm9 n SER 75 Cb 0.08 -0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 62.30 1tm9 n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1tm9 n SER 76 N 0.17 -0.61 -0.53 6.43 7.64 -0.80 -4.93 113.62 120.97 1tm9 n SER 76 Ca 0.30 -1.23 0.14 0.00 1.01 0.00 0.00 58.87 59.09 1tm9 n SER 76 Cb 0.71 0.21 0.44 0.00 -1.01 0.00 0.00 64.21 64.55 1tm9 n SER 76 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1tm9 n VAL 77 N -0.14 0.00 0.00 0.44 0.31 -1.23 -4.98 118.33 112.73 1tm9 n VAL 77 Ca -0.15 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1tm9 n VAL 77 Cb 0.54 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 34.13 1tm9 n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tm9 n GLY 78 N 1.22 3.32 0.34 2.92 0.00 -1.26 -4.91 105.19 106.82 1tm9 n GLY 78 Ca 0.17 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1tm9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tm9 h ALA 79 N 0.00 -0.82 -1.80 4.61 0.00 -1.97 -3.44 119.26 115.83 1tm9 h ALA 79 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 1tm9 h ALA 79 Cb 0.00 0.32 0.19 0.00 0.00 0.00 0.00 17.79 18.30 1tm9 h ALA 79 CO 0.00 -0.81 -0.26 0.25 0.00 0.00 0.00 179.25 178.43 1tm9 n THR 80 N -5.34 0.00 -1.64 0.00 -2.24 -1.26 -4.79 114.28 99.01 1tm9 n THR 80 Ca -0.11 -0.11 -0.50 0.00 -2.27 0.00 0.00 64.05 61.06 1tm9 n THR 80 Cb 0.35 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 1tm9 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tm9 n GLY 81 N 1.96 0.84 0.00 3.38 0.00 -1.26 -4.90 105.19 105.21 1tm9 n GLY 81 Ca 0.09 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1tm9 n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tm9 n GLN 82 N 3.42 0.00 -1.55 1.61 1.13 -1.26 -5.08 117.38 115.65 1tm9 n GLN 82 Ca 0.19 0.00 -0.59 0.00 -1.94 0.00 0.00 57.00 54.66 1tm9 n GLN 82 Cb 0.23 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.50 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1tm9 n TYR 83 N 0.00 0.93 0.88 1.08 4.01 -1.26 -4.77 117.16 118.04 1tm9 n TYR 83 Ca 0.00 0.99 0.08 0.00 -0.16 0.00 0.00 57.90 58.82 1tm9 n TYR 83 Cb 0.00 -2.15 0.45 0.00 -0.31 0.00 0.00 39.34 37.33 1tm9 n TYR 83 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1tm9 n MET 84 N 2.03 0.33 -0.03 -0.72 2.81 -1.26 -2.69 117.12 117.59 1tm9 n MET 84 Ca 0.21 0.09 -0.14 0.00 -1.81 0.00 0.00 57.70 56.05 1tm9 n MET 84 Cb 0.08 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.00 1tm9 n MET 84 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tm9 h ALA 85 N 2.88 0.11 -0.98 3.04 0.00 -1.95 -3.17 119.26 119.19 1tm9 h ALA 85 Ca 0.00 -0.41 0.33 0.00 0.00 0.00 0.00 54.91 54.83 1tm9 h ALA 85 Cb 0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.72 1tm9 h ALA 85 CO 0.00 0.11 0.34 0.77 0.00 0.00 0.00 179.25 180.47 1tm9 h SER 86 N -0.25 0.06 0.00 0.00 0.02 -1.88 -0.09 113.55 111.42 1tm9 h SER 86 Ca -0.01 0.25 -0.48 0.00 -0.84 0.00 0.00 61.79 60.70 1tm9 h SER 86 Cb 0.88 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1tm9 h SER 86 CO 0.05 -0.32 2.23 0.33 -1.14 0.00 0.00 176.83 177.97 1tm9 n PHE 87 N -5.29 1.48 0.00 3.45 -0.00 -1.20 -3.46 117.46 112.45 1tm9 n PHE 87 Ca 0.30 -2.48 0.00 0.00 -0.00 0.00 0.00 57.45 55.27 1tm9 n PHE 87 Cb 0.99 -2.15 0.00 0.00 -0.00 0.00 0.00 39.48 38.32 1tm9 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1tm9 n PHE 88 N 3.17 -0.95 -0.33 -5.13 -0.00 -0.05 -4.76 117.46 109.42 1tm9 n PHE 88 Ca 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 58.09 1tm9 n PHE 88 Cb 0.49 0.43 0.11 0.00 -0.00 0.00 0.00 39.48 40.52 1tm9 n PHE 88 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1tm9 h SER 89 N 0.00 0.97 0.26 -2.13 0.87 -1.68 -3.17 113.55 108.67 1tm9 h SER 89 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1tm9 h SER 89 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1tm9 h SER 89 CO 0.00 0.67 -0.12 0.71 -0.53 0.00 0.00 176.83 177.56 1tm9 h THR 90 N 1.14 0.00 -3.05 2.23 1.35 -1.91 -3.40 112.91 109.26 1tm9 h THR 90 Ca 0.35 -0.33 -0.69 0.00 -0.55 0.00 0.00 66.41 65.20 1tm9 h THR 90 Cb -0.01 0.00 -0.19 0.00 -1.73 0.00 0.00 68.15 66.22 1tm9 h THR 90 CO -0.11 0.00 0.11 0.20 -0.25 0.00 0.00 175.52 175.47 1tm9 s ASN 91 N -3.90 6.20 -0.09 5.36 0.01 -1.20 -4.87 114.94 116.46 1tm9 s ASN 91 Ca -0.05 -1.16 -0.12 0.00 -0.71 0.00 0.00 52.86 50.82 1tm9 s ASN 91 Cb 0.01 -2.30 -0.28 0.00 0.41 0.00 0.00 41.25 39.08 1tm9 s ASN 91 CO 0.15 -1.03 0.55 0.28 -1.51 0.00 0.00 177.10 175.54 1tm9 h SER 92 N 9.12 0.47 -0.92 -1.22 0.02 -1.79 -2.96 113.55 116.27 1tm9 h SER 92 Ca -0.28 -0.90 0.18 0.00 -0.84 0.00 0.00 61.79 59.94 1tm9 h SER 92 Cb 1.09 -0.15 -0.17 0.00 0.14 0.00 0.00 62.40 63.31 1tm9 h SER 92 CO 1.04 1.73 -0.25 -0.08 -1.14 0.00 0.00 176.83 178.13 1tm9 h GLU 93 N -0.09 -0.01 -0.00 3.45 4.22 -1.90 1.64 114.58 121.90 1tm9 h GLU 93 Ca -0.35 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.09 1tm9 h GLU 93 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1tm9 h GLU 93 CO 0.10 -0.00 -0.03 -1.00 -2.18 0.00 0.00 179.01 175.90 1tm9 h PRO 94 N -0.01 0.02 -0.32 0.92 0.13 -1.96 -2.80 132.00 127.99 1tm9 h PRO 94 Ca 0.42 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.62 1tm9 h PRO 94 Cb 0.66 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1tm9 h PRO 94 CO -0.94 0.77 0.39 0.00 -0.23 0.00 0.00 178.00 177.98 1tm9 h ALA 95 N 0.25 1.96 0.15 -0.56 0.00 -0.99 0.15 119.26 120.21 1tm9 h ALA 95 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1tm9 h ALA 95 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1tm9 h ALA 95 CO 0.01 -0.55 -0.07 0.82 0.00 0.00 0.00 179.25 179.45 1tm9 h ILE 96 N 0.00 0.78 -0.90 0.00 2.04 0.24 -0.70 117.51 118.97 1tm9 h ILE 96 Ca 0.15 -1.19 0.11 0.00 1.00 0.00 0.00 64.86 64.93 1tm9 h ILE 96 Cb 0.93 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 1tm9 h ILE 96 CO -0.00 0.22 0.53 0.40 0.00 0.00 0.00 178.15 179.29 1tm9 h ILE 97 N -0.91 0.89 0.00 -0.67 5.03 -0.78 0.95 117.51 122.01 1tm9 h ILE 97 Ca -0.02 -0.29 -0.04 0.00 -0.12 0.00 0.00 64.86 64.39 1tm9 h ILE 97 Cb 0.50 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 1tm9 h ILE 97 CO 0.03 0.15 -0.21 0.15 -0.68 0.00 0.00 178.15 177.60 1tm9 h PHE 98 N 0.84 0.00 0.00 1.37 3.57 -0.84 -2.06 116.94 119.82 1tm9 h PHE 98 Ca 0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1tm9 h PHE 98 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1tm9 h PHE 98 CO -0.04 0.21 -0.01 0.00 -2.23 0.00 0.00 178.31 176.24 1tm9 h VAL 100 N -0.06 0.01 0.01 0.00 2.07 0.59 1.18 116.25 120.05 1tm9 h VAL 100 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1tm9 h VAL 100 Cb 0.01 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1tm9 h VAL 100 CO 0.00 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.99 1tm9 h ILE 101 N 0.01 1.50 0.00 4.57 1.08 -1.51 -2.54 117.51 120.62 1tm9 h ILE 101 Ca 0.86 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1tm9 h ILE 101 Cb 2.49 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 38.80 1tm9 h ILE 101 CO -0.65 0.41 0.00 -1.22 -0.69 0.00 0.00 178.15 176.00 1tm9 n TYR 102 N -4.77 0.00 -0.26 1.37 4.01 0.40 0.28 117.16 118.19 1tm9 n TYR 102 Ca -0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1tm9 n TYR 102 Cb 0.33 -0.30 0.20 0.00 -0.31 0.00 0.00 39.34 39.27 1tm9 n TYR 102 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1tm9 h PHE 103 N 0.00 0.48 -0.86 -0.72 3.57 -1.50 0.91 116.94 118.83 1tm9 h PHE 103 Ca 0.00 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.72 1tm9 h PHE 103 Cb 0.00 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.54 1tm9 h PHE 103 CO -0.50 0.02 0.39 -0.07 -2.23 0.00 0.00 178.31 175.92 1tm9 h LEU 104 N 0.40 0.38 0.00 0.59 3.38 -0.72 0.41 115.31 119.75 1tm9 h LEU 104 Ca 0.44 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.52 1tm9 h LEU 104 Cb 0.71 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1tm9 h LEU 104 CO -0.45 0.09 -0.10 1.88 0.09 0.00 0.00 178.44 179.96 1tm9 h TYR 105 N 0.48 0.00 -0.88 1.13 0.05 0.31 -0.36 116.97 117.70 1tm9 h TYR 105 Ca 0.50 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.36 1tm9 h TYR 105 Cb 0.85 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.48 1tm9 h TYR 105 CO -0.13 0.48 -0.52 0.72 -1.05 0.00 0.00 178.16 177.66 1tm9 n HIS 106 N -4.68 -0.39 -2.73 4.88 8.25 0.28 -4.12 115.22 116.72 1tm9 n HIS 106 Ca -0.06 1.10 -0.08 0.00 -0.26 0.00 0.00 57.72 58.42 1tm9 n HIS 106 Cb 0.24 -0.57 0.08 0.00 1.12 0.00 0.00 29.99 30.86 1tm9 n HIS 106 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1tm9 n PHE 107 N -5.08 -2.62 0.00 4.41 3.72 0.08 -5.07 117.46 112.90 1tm9 n PHE 107 Ca 0.02 -1.73 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 1tm9 n PHE 107 Cb 0.23 1.52 0.00 0.00 -0.94 0.00 0.00 39.48 40.29 1tm9 n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tm9 n GLY 108 N 0.95 1.91 0.00 1.37 0.00 -0.24 -4.85 105.19 104.34 1tm9 n GLY 108 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1tm9 n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tm9 n PHE 109 N 0.00 0.00 -1.46 1.61 3.01 -0.63 -4.99 117.46 115.00 1tm9 n PHE 109 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 1tm9 n PHE 109 Cb 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1tm9 n PHE 109 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1tm9 n LEU 110 N -1.81 0.65 -4.17 4.37 4.77 -0.97 -5.00 117.00 114.84 1tm9 n LEU 110 Ca 0.00 0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 56.52 1tm9 n LEU 110 Cb 0.34 -1.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.14 1tm9 n LEU 110 CO 0.00 -3.09 -0.47 -0.54 -1.33 0.00 0.00 177.39 171.96 1tm9 s LYS 111 N -2.04 0.95 -0.12 3.23 -0.14 -1.26 -4.64 119.74 115.72 1tm9 s LYS 111 Ca 0.68 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1tm9 s LYS 111 Cb -0.45 -0.98 0.02 0.00 -1.68 0.00 0.00 37.83 34.74 1tm9 s LYS 111 CO 0.55 0.24 -0.11 0.16 -0.76 0.00 0.00 175.35 175.43 1tm9 s ASP 112 N -1.36 2.31 1.15 2.83 -4.77 -1.26 -5.01 116.67 110.56 1tm9 s ASP 112 Ca 0.01 -0.37 -0.15 0.00 -3.30 0.00 0.00 52.55 48.75 1tm9 s ASP 112 Cb -0.09 -0.96 0.22 0.00 -1.09 0.00 0.00 42.92 41.00 1tm9 s ASP 112 CO 0.02 -0.07 0.64 -3.20 0.70 0.00 0.00 175.17 173.25 1tm9 n ASN 113 N 4.69 -1.98 -1.23 2.11 2.85 -1.26 -4.71 115.26 115.74 1tm9 n ASN 113 Ca -0.16 -0.14 0.12 0.00 -0.11 0.00 0.00 54.58 54.30 1tm9 n ASN 113 Cb 0.50 -1.15 -0.03 0.00 1.24 0.00 0.00 39.78 40.34 1tm9 n ASN 113 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1tm9 n ASN 114 N -3.70 -7.29 -4.33 1.20 4.13 -1.26 -4.37 115.26 99.64 1tm9 n ASN 114 Ca 0.02 0.96 -0.47 0.00 1.68 0.00 0.00 54.58 56.77 1tm9 n ASN 114 Cb 0.57 -2.70 -0.03 0.00 -1.54 0.00 0.00 39.78 36.08 1tm9 n ASN 114 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1tm9 s LYS 115 N -1.39 3.42 -0.13 3.52 1.02 -1.26 -4.77 119.74 120.15 1tm9 s LYS 115 Ca 0.00 -2.20 -0.11 0.00 0.02 0.00 0.00 55.97 53.67 1tm9 s LYS 115 Cb 0.00 -4.40 0.02 0.00 -0.52 0.00 0.00 37.83 32.93 1tm9 s LYS 115 CO 0.00 -1.32 0.19 0.36 -0.92 0.00 0.00 175.35 173.66 1tm9 n LYS 116 N 4.46 -0.67 -0.85 1.68 2.85 -1.26 -4.90 118.16 119.46 1tm9 n LYS 116 Ca 0.06 0.80 -0.04 0.00 -1.05 0.00 0.00 58.31 58.07 1tm9 n LYS 116 Cb 0.45 -1.07 -0.05 0.00 -0.65 0.00 0.00 35.03 33.71 1tm9 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1tm9 n GLN 117 N 0.70 0.00 0.00 -1.58 10.64 -1.26 -4.80 117.38 121.08 1tm9 n GLN 117 Ca -0.03 -0.70 0.00 0.00 -1.83 0.00 0.00 57.00 54.44 1tm9 n GLN 117 Cb 0.46 0.32 0.00 0.00 -0.86 0.00 0.00 30.24 30.16 1tm9 n GLN 117 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1tm9 n ILE 118 N 0.01 0.00 -0.37 -0.39 0.13 -1.26 -4.89 119.36 112.58 1tm9 n ILE 118 Ca -0.18 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.41 1tm9 n ILE 118 Cb 0.64 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.41 1tm9 n ILE 118 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1tm9 n ILE 119 N 0.00 -0.56 -0.32 9.51 -0.00 -1.26 0.13 119.36 126.86 1tm9 n ILE 119 Ca 0.00 2.20 0.00 0.00 -0.00 0.00 0.00 62.75 64.95 1tm9 n ILE 119 Cb 0.00 -2.80 0.07 0.00 -0.00 0.00 0.00 39.64 36.91 1tm9 n ILE 119 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1tm9 h LYS 120 N 0.00 -0.03 -0.06 0.38 1.63 -1.97 1.32 116.57 117.84 1tm9 h LYS 120 Ca 0.23 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.07 1tm9 h LYS 120 Cb 0.46 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.04 1tm9 h LYS 120 CO -0.89 -0.02 -0.28 -0.22 -3.45 0.00 0.00 179.45 174.58 1tm9 h LYS 121 N -0.03 -0.38 0.42 1.90 1.63 0.75 0.56 116.57 121.41 1tm9 h LYS 121 Ca 0.36 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.17 1tm9 h LYS 121 Cb 0.61 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1tm9 h LYS 121 CO -0.90 -0.26 -0.25 0.00 -3.45 0.00 0.00 179.45 174.60 1tm9 h ALA 122 N 0.43 -1.10 -0.96 5.00 0.00 0.12 0.58 119.26 123.32 1tm9 h ALA 122 Ca 0.08 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.14 1tm9 h ALA 122 Cb 0.51 0.36 -0.17 0.00 0.00 0.00 0.00 17.79 18.48 1tm9 h ALA 122 CO -0.28 -1.08 0.16 1.88 0.00 0.00 0.00 179.25 179.93 1tm9 h TYR 123 N -0.63 0.19 -0.19 0.00 -1.99 0.16 1.63 116.97 116.14 1tm9 h TYR 123 Ca -0.06 0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1tm9 h TYR 123 Cb 0.50 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1tm9 h TYR 123 CO 0.01 -0.39 -0.44 1.49 -0.00 0.00 0.00 178.16 178.84 1tm9 h GLU 124 N 0.06 0.46 -0.23 4.88 4.81 0.45 -0.30 114.58 124.71 1tm9 h GLU 124 Ca 0.63 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1tm9 h GLU 124 Cb 1.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1tm9 h GLU 124 CO -0.83 0.81 0.20 0.00 -0.73 0.00 0.00 179.01 178.46 1tm9 h THR 125 N 0.37 0.66 0.00 0.32 1.03 0.80 0.34 112.91 116.42 1tm9 h THR 125 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 1tm9 h THR 125 Cb 0.92 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1tm9 h THR 125 CO 0.08 0.00 -0.64 -0.38 -0.01 0.00 0.00 175.52 174.57 1tm9 n ILE 126 N -4.11 1.43 -0.52 0.00 5.41 -0.71 -2.38 119.36 118.47 1tm9 n ILE 126 Ca 0.03 0.20 0.44 0.00 1.00 0.00 0.00 62.75 64.42 1tm9 n ILE 126 Cb 0.34 -2.38 0.72 0.00 -0.71 0.00 0.00 39.64 37.62 1tm9 n ILE 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tm9 h ALA 127 N -1.00 3.52 0.00 -1.39 0.00 -0.93 1.73 119.26 121.19 1tm9 h ALA 127 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tm9 h ALA 127 Cb 0.64 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tm9 h ALA 127 CO 0.00 -2.11 -0.31 0.22 0.00 0.00 0.00 179.25 177.05 1tm9 h ASP 128 N 0.00 0.00 -0.54 0.00 3.58 -1.09 -3.28 116.42 115.09 1tm9 h ASP 128 Ca 0.77 0.00 0.11 0.00 0.42 0.00 0.00 57.03 58.33 1tm9 h ASP 128 Cb 3.32 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 44.27 1tm9 h ASP 128 CO -0.01 0.64 -0.07 -1.13 -2.88 0.00 0.00 179.24 175.79 1tm9 h ASN 129 N -0.96 -0.37 0.00 2.28 -0.73 -0.22 1.42 115.58 117.00 1tm9 h ASN 129 Ca 0.00 0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1tm9 h ASN 129 Cb 0.31 0.29 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1tm9 h ASN 129 CO 0.00 -0.14 0.25 -0.29 -0.37 0.00 0.00 177.43 176.88 1tm9 h ILE 130 N 0.05 0.00 -0.30 2.57 2.10 0.22 1.12 117.51 123.28 1tm9 h ILE 130 Ca 0.27 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.21 1tm9 h ILE 130 Cb 0.42 0.70 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1tm9 h ILE 130 CO -0.51 0.00 0.01 0.00 -1.08 0.00 0.00 178.15 176.56 1tm9 n ALA 131 N -1.90 3.23 0.05 0.18 0.00 0.49 -3.42 120.51 119.13 1tm9 n ALA 131 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1tm9 n ALA 131 Cb 0.30 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1tm9 n ALA 131 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1tm9 h ASP 132 N 2.01 0.00 0.00 0.00 1.82 0.13 -3.38 116.42 117.00 1tm9 h ASP 132 Ca 0.01 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.51 1tm9 h ASP 132 Cb 1.27 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.25 1tm9 h ASP 132 CO 0.26 0.57 -1.52 0.00 -1.61 0.00 0.00 179.24 176.93 1tm9 n TYR 133 N -2.95 0.00 0.00 0.28 0.18 -1.24 -4.79 117.16 108.64 1tm9 n TYR 133 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 1tm9 n TYR 133 Cb 0.82 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 1tm9 n TYR 133 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1tm9 n LEU 134 N -2.36 0.00 -2.90 -3.48 4.77 -1.22 -4.91 117.00 106.90 1tm9 n LEU 134 Ca -0.13 0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1tm9 n LEU 134 Cb 0.74 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1tm9 n LEU 134 CO 0.15 -0.13 0.25 -3.20 -1.33 0.00 0.00 177.39 173.13 1tm9 n ASN 135 N -1.33 -6.89 -3.00 -1.43 2.85 -1.26 -4.17 115.26 100.02 1tm9 n ASN 135 Ca 0.00 -0.18 -0.01 0.00 -0.11 0.00 0.00 54.58 54.28 1tm9 n ASN 135 Cb 0.00 -4.76 0.00 0.00 1.24 0.00 0.00 39.78 36.27 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1tm9 n GLU 136 N -1.95 -1.32 -0.53 1.20 4.71 -1.26 -5.19 120.64 116.30 1tm9 n GLU 136 Ca -0.01 1.41 0.00 0.00 -0.01 0.00 0.00 57.16 58.55 1tm9 n GLU 136 Cb 0.52 -5.58 0.00 0.00 -1.01 0.00 0.00 31.44 25.37 1tm9 n GLU 136 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51