#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm9 h GLU 2 N 0.00 -0.13 0.52 0.03 5.08 -2.06 -3.40 114.58 114.62 1tm9 h GLU 2 Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1tm9 h GLU 2 Cb 0.00 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1tm9 h GLU 2 CO 0.00 -0.09 -0.25 1.96 -1.00 0.00 0.00 179.01 179.64 1tm9 h GLN 3 N -0.73 -0.67 0.00 2.33 4.20 -2.09 -3.49 115.11 114.66 1tm9 h GLN 3 Ca -0.01 0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1tm9 h GLN 3 Cb 0.10 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1tm9 h GLN 3 CO 0.02 -0.45 -0.09 0.09 -0.67 0.00 0.00 178.83 177.73 1tm9 n ASN 4 N -4.36 -2.18 0.00 1.46 4.13 -1.26 -5.09 115.26 107.96 1tm9 n ASN 4 Ca -0.09 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1tm9 n ASN 4 Cb 0.27 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1tm9 n ASN 5 N -1.25 0.00 -0.35 6.41 4.13 -1.26 -4.82 115.26 118.12 1tm9 n ASN 5 Ca 0.00 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.26 1tm9 n ASN 5 Cb 0.12 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.41 1tm9 n ASN 5 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1tm9 n ILE 6 N 7.80 -0.47 0.07 2.41 2.08 -1.26 0.19 119.36 130.19 1tm9 n ILE 6 Ca 0.00 2.11 -0.11 0.00 0.56 0.00 0.00 62.75 65.31 1tm9 n ILE 6 Cb 0.00 -2.81 -0.05 0.00 -0.75 0.00 0.00 39.64 36.03 1tm9 n ILE 6 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1tm9 h LYS 7 N 0.00 -0.36 -0.80 0.38 3.11 -2.01 -1.53 116.57 115.35 1tm9 h LYS 7 Ca 0.33 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.26 1tm9 h LYS 7 Cb 0.56 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.81 1tm9 h LYS 7 CO -0.90 -0.24 0.49 1.49 -2.81 0.00 0.00 179.45 177.47 1tm9 h GLU 8 N -0.37 0.86 -0.99 1.90 4.57 0.48 -0.74 114.58 120.28 1tm9 h GLU 8 Ca 0.05 -0.05 0.21 0.00 -1.18 0.00 0.00 59.36 58.39 1tm9 h GLU 8 Cb 0.44 -0.19 -0.10 0.00 -0.16 0.00 0.00 28.75 28.74 1tm9 h GLU 8 CO -0.19 0.57 0.62 1.96 -1.18 0.00 0.00 179.01 180.78 1tm9 h GLN 9 N 0.88 0.62 0.33 1.92 4.20 0.31 0.69 115.11 124.06 1tm9 h GLN 9 Ca 0.36 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1tm9 h GLN 9 Cb 0.19 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1tm9 h GLN 9 CO -0.18 0.41 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.16 1tm9 h LEU 10 N 0.64 -0.38 0.03 1.46 3.38 -0.43 -2.78 115.31 117.22 1tm9 h LEU 10 Ca 0.57 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1tm9 h LEU 10 Cb 1.06 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1tm9 h LEU 10 CO -0.34 -0.10 -0.27 0.40 0.09 0.00 0.00 178.44 178.22 1tm9 h ILE 11 N -0.67 0.00 -0.66 1.22 5.03 -0.80 -1.02 117.51 120.62 1tm9 h ILE 11 Ca -0.05 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.79 1tm9 h ILE 11 Cb 0.47 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.16 1tm9 h ILE 11 CO 0.08 0.00 -0.26 -1.20 -0.68 0.00 0.00 178.15 176.09 1tm9 n SER 12 N -3.96 -0.43 0.18 1.72 7.64 0.07 0.24 113.62 119.08 1tm9 n SER 12 Ca -0.04 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.87 1tm9 n SER 12 Cb 0.20 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.08 1tm9 n SER 12 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1tm9 h PHE 13 N 0.00 -0.90 0.00 1.43 0.04 -1.04 0.17 116.94 116.64 1tm9 h PHE 13 Ca 0.23 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1tm9 h PHE 13 Cb 0.39 0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1tm9 h PHE 13 CO -0.58 -0.43 0.00 0.34 -0.60 0.00 0.00 178.31 177.05 1tm9 n PHE 14 N -4.34 0.00 0.07 -0.55 7.35 0.12 -1.09 117.46 119.02 1tm9 n PHE 14 Ca -0.08 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.46 1tm9 n PHE 14 Cb 0.29 -0.46 -0.14 0.00 0.35 0.00 0.00 39.48 39.53 1tm9 n PHE 14 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1tm9 h ASN 15 N 0.00 0.37 -0.06 -2.13 -0.73 0.47 -2.82 115.58 110.68 1tm9 h ASN 15 Ca 0.00 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 57.69 1tm9 h ASN 15 Cb 0.09 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1tm9 h ASN 15 CO 0.00 1.39 0.00 0.00 -0.37 0.00 0.00 177.43 178.45 1tm9 n GLN 16 N -3.46 1.18 -0.01 6.67 10.64 -0.11 -4.00 117.38 128.29 1tm9 n GLN 16 Ca -0.14 -0.28 -0.02 0.00 -1.83 0.00 0.00 57.00 54.74 1tm9 n GLN 16 Cb 1.03 -1.17 -0.01 0.00 -0.86 0.00 0.00 30.24 29.24 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1tm9 n ALA 17 N -0.37 1.48 -1.00 2.61 0.00 -1.18 -4.82 120.51 117.22 1tm9 n ALA 17 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1tm9 n ALA 17 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.38 0.00 -4.77 0.00 7.64 -1.26 -4.96 113.62 108.89 1tm9 n SER 19 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1tm9 n SER 19 Cb 0.00 0.02 0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1tm9 n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1tm9 s THR 20 N -0.29 2.72 -0.37 0.44 -4.23 -1.26 -4.94 115.64 107.71 1tm9 s THR 20 Ca 0.00 0.23 0.26 0.00 -1.18 0.00 0.00 61.69 61.00 1tm9 s THR 20 Cb 0.00 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 71.29 1tm9 s THR 20 CO 0.00 -0.30 1.73 0.45 -0.54 0.00 0.00 174.62 175.96 1tm9 h HIS 21 N -1.34 0.00 -0.04 3.99 -0.00 -2.03 -2.68 115.15 113.05 1tm9 h HIS 21 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1tm9 h HIS 21 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 1tm9 h HIS 21 CO 0.41 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 179.38 1tm9 n GLN 22 N -2.90 1.59 -0.34 2.45 6.02 -1.26 -4.20 117.38 118.74 1tm9 n GLN 22 Ca 0.03 -0.86 0.29 0.00 -0.01 0.00 0.00 57.00 56.45 1tm9 n GLN 22 Cb 0.44 -1.46 0.54 0.00 1.02 0.00 0.00 30.24 30.78 1tm9 n GLN 22 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1tm9 h GLU 23 N 2.02 0.17 0.18 -1.09 9.09 -1.85 0.92 114.58 124.03 1tm9 h GLU 23 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 1tm9 h GLU 23 Cb 0.43 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1tm9 h GLU 23 CO 0.00 0.11 -0.09 0.07 0.05 0.00 0.00 179.01 179.16 1tm9 h ARG 24 N 0.18 -0.24 0.00 1.06 0.11 -1.84 1.21 114.38 114.86 1tm9 h ARG 24 Ca 0.79 0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.85 1tm9 h ARG 24 Cb 2.00 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 33.13 1tm9 h ARG 24 CO -0.64 -0.03 -0.17 -0.07 0.10 0.00 0.00 179.97 179.17 1tm9 h LEU 25 N -0.42 0.00 0.00 0.08 3.38 -0.22 -0.57 115.31 117.56 1tm9 h LEU 25 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1tm9 h LEU 25 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1tm9 h LEU 25 CO 0.04 0.17 -0.73 -0.78 0.09 0.00 0.00 178.44 177.22 1tm9 h ASP 26 N 0.00 0.00 0.39 -0.43 1.82 0.10 -3.34 116.42 114.96 1tm9 h ASP 26 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1tm9 h ASP 26 Cb 0.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1tm9 h ASP 26 CO 0.02 0.53 -0.19 -0.26 -1.61 0.00 0.00 179.24 177.73 1tm9 h PHE 27 N 0.00 -0.49 -1.26 0.28 -1.00 0.30 1.44 116.94 116.22 1tm9 h PHE 27 Ca -0.04 -0.01 0.42 0.00 2.81 0.00 0.00 57.97 61.15 1tm9 h PHE 27 Cb 1.44 0.16 -0.11 0.00 3.61 0.00 0.00 35.95 41.05 1tm9 h PHE 27 CO 0.00 -0.30 0.83 0.44 -1.61 0.00 0.00 178.31 177.67 1tm9 n ILE 28 N -4.32 -0.18 0.00 -0.55 -5.35 -0.76 0.25 119.36 108.46 1tm9 n ILE 28 Ca -0.07 1.48 0.00 0.00 -0.27 0.00 0.00 62.75 63.90 1tm9 n ILE 28 Cb 0.21 -2.44 0.00 0.00 -1.74 0.00 0.00 39.64 35.67 1tm9 n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tm9 n SER 30 N -1.60 0.20 -2.11 0.00 2.88 0.49 0.39 113.62 113.87 1tm9 n SER 30 Ca 0.00 1.07 -0.12 0.00 -1.33 0.00 0.00 58.87 58.49 1tm9 n SER 30 Cb 0.00 -0.52 -0.15 0.00 -0.75 0.00 0.00 64.21 62.79 1tm9 n SER 30 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1tm9 n THR 31 N -4.36 2.72 0.00 2.46 -1.04 0.70 -2.90 114.28 111.85 1tm9 n THR 31 Ca 0.27 -1.37 0.00 0.00 -2.04 0.00 0.00 64.05 60.90 1tm9 n THR 31 Cb 0.96 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1tm9 n THR 31 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1tm9 n ARG 32 N 2.61 0.00 -0.63 -2.82 1.85 0.16 -4.90 116.66 112.94 1tm9 n ARG 32 Ca 0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 57.15 1tm9 n ARG 32 Cb 0.79 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 32.32 1tm9 n ARG 32 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1tm9 n GLU 33 N -0.48 1.99 0.00 2.89 1.02 -1.06 -4.67 120.64 120.32 1tm9 n GLU 33 Ca 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 1tm9 n GLU 33 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1tm9 n SER 34 N -0.23 0.00 0.09 1.62 3.41 -1.23 -5.00 113.62 112.29 1tm9 n SER 34 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1tm9 n SER 34 Cb 1.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1tm9 n SER 34 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tm9 n ASP 35 N 0.00 -1.61 0.00 4.04 -0.08 -1.26 -5.15 116.55 112.49 1tm9 n ASP 35 Ca 0.00 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1tm9 n ASP 35 Cb 0.00 1.76 0.00 0.00 2.34 0.00 0.00 41.12 45.22 1tm9 n ASP 35 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1tm9 n THR 36 N -3.06 0.00 -0.02 5.18 5.66 -1.26 -5.06 114.28 115.72 1tm9 n THR 36 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1tm9 n THR 36 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 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 1.35 1.09 3.72 -1.26 -4.49 117.46 117.87 1tm9 n PHE 37 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1tm9 n PHE 37 Cb 0.00 -0.23 0.69 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.05 0.00 -0.05 4.37 2.88 -1.26 -2.70 113.62 114.81 1tm9 n SER 38 Ca -0.06 -0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.08 1tm9 n SER 38 Cb 0.52 -0.21 -0.15 0.00 -0.75 0.00 0.00 64.21 63.63 1tm9 n SER 38 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1tm9 n SER 39 N -1.21 0.80 -4.70 -3.46 7.64 -1.26 -4.92 113.62 106.51 1tm9 n SER 39 Ca 0.14 0.23 -0.36 0.00 1.01 0.00 0.00 58.87 59.89 1tm9 n SER 39 Cb 0.18 0.16 0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1tm9 n SER 39 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1tm9 n VAL 40 N -3.01 4.04 -1.25 0.44 0.31 -1.10 -4.77 118.33 112.99 1tm9 n VAL 40 Ca -0.25 -0.42 -0.38 0.00 -0.01 0.00 0.00 64.34 63.27 1tm9 n VAL 40 Cb 1.08 -1.37 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.10 2.25 -3.65 4.52 2.03 -1.26 -4.65 116.55 113.69 1tm9 n ASP 41 Ca 0.15 -2.63 0.01 0.00 0.52 0.00 0.00 54.79 52.83 1tm9 n ASP 41 Cb 0.49 -1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 1tm9 n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tm9 s VAL 42 N 7.64 0.00 0.49 5.18 0.11 -1.26 -4.61 120.40 127.96 1tm9 s VAL 42 Ca 0.64 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.49 1tm9 s VAL 42 Cb 0.10 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 1tm9 s VAL 42 CO 0.17 0.00 1.04 -2.16 -3.33 0.00 0.00 175.10 170.82 1tm9 s PRO 43 N 1.06 3.77 0.09 1.54 0.04 -1.26 -4.81 135.00 135.44 1tm9 s PRO 43 Ca -0.07 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.36 1tm9 s PRO 43 Cb -0.03 -2.09 -0.23 0.00 0.04 0.00 0.00 34.50 32.19 1tm9 s PRO 43 CO -0.11 -0.45 1.19 -0.07 0.04 0.00 0.00 177.00 177.59 1tm9 h LEU 44 N 1.49 0.12 -0.77 -3.56 3.38 -1.94 -2.87 115.31 111.15 1tm9 h LEU 44 Ca -0.49 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.42 1tm9 h LEU 44 Cb 1.22 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 1tm9 h LEU 44 CO 0.59 1.11 -0.53 -0.33 0.09 0.00 0.00 178.44 179.36 1tm9 h GLU 45 N 0.02 -0.14 0.00 1.13 5.08 -1.99 1.50 114.58 120.19 1tm9 h GLU 45 Ca -0.07 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tm9 h GLU 45 Cb 1.85 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1tm9 h GLU 45 CO 0.15 -0.09 -0.00 -1.00 -1.00 0.00 0.00 179.01 177.06 1tm9 h PRO 46 N -0.14 -0.01 -0.74 2.33 0.13 -1.88 -3.29 132.00 128.39 1tm9 h PRO 46 Ca 0.16 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.45 1tm9 h PRO 46 Cb 0.51 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.50 1tm9 h PRO 46 CO -0.81 0.73 -0.10 0.82 -0.23 0.00 0.00 178.00 178.41 1tm9 h ILE 47 N -0.76 0.30 -1.00 -3.56 1.08 -1.21 1.81 117.51 114.17 1tm9 h ILE 47 Ca -0.00 -0.01 0.29 0.00 -0.39 0.00 0.00 64.86 64.74 1tm9 h ILE 47 Cb 0.74 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1tm9 h ILE 47 CO 0.00 0.01 0.89 0.11 -0.69 0.00 0.00 178.15 178.47 1tm9 h LYS 48 N 0.04 0.00 0.05 2.37 1.57 0.20 1.59 116.57 122.40 1tm9 h LYS 48 Ca 0.38 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.94 1tm9 h LYS 48 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.96 1tm9 h LYS 48 CO -0.72 0.00 -0.90 -0.97 -0.57 0.00 0.00 179.45 176.30 1tm9 h ASN 49 N 0.00 0.69 0.00 0.86 -0.00 0.27 -1.40 115.58 116.00 1tm9 h ASN 49 Ca 0.48 -0.80 0.00 0.00 -0.00 0.00 0.00 56.30 55.97 1tm9 h ASN 49 Cb 2.25 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 40.35 1tm9 h ASN 49 CO -0.01 1.42 0.00 2.30 -0.00 0.00 0.00 177.43 181.14 1tm9 n ILE 50 N -4.02 0.00 -0.11 2.57 -5.35 0.50 -2.96 119.36 109.99 1tm9 n ILE 50 Ca -0.12 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.21 1tm9 n ILE 50 Cb 0.82 -0.48 -0.11 0.00 -1.74 0.00 0.00 39.64 38.13 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 -0.95 1.30 0.17 7.28 5.41 0.14 -4.26 119.36 128.46 1tm9 n ILE 51 Ca 0.20 -0.54 0.11 0.00 1.00 0.00 0.00 62.75 63.52 1tm9 n ILE 51 Cb 0.09 -1.19 0.60 0.00 -0.71 0.00 0.00 39.64 38.44 1tm9 n ILE 51 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1tm9 n GLU 52 N -3.09 0.14 0.19 0.38 2.13 -0.54 -0.50 120.64 119.35 1tm9 n GLU 52 Ca -0.39 0.64 0.03 0.00 0.66 0.00 0.00 57.16 58.10 1tm9 n GLU 52 Cb 0.96 -1.97 0.39 0.00 0.27 0.00 0.00 31.44 31.08 1tm9 n GLU 52 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1tm9 h ILE 53 N 0.00 1.20 -0.40 6.31 6.09 -1.74 -2.09 117.51 126.89 1tm9 h ILE 53 Ca 0.00 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.28 1tm9 h ILE 53 Cb 0.01 1.66 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1tm9 h ILE 53 CO 0.00 0.34 0.00 0.35 -3.07 0.00 0.00 178.15 175.77 1tm9 n THR 54 N -4.06 2.22 -0.44 2.19 -2.24 0.34 -4.42 114.28 107.87 1tm9 n THR 54 Ca -0.02 -1.58 -0.06 0.00 -2.27 0.00 0.00 64.05 60.12 1tm9 n THR 54 Cb 0.39 -0.13 0.20 0.00 -2.10 0.00 0.00 70.33 68.69 1tm9 n THR 54 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tm9 n LYS 55 N 0.10 2.78 -3.83 -0.78 4.76 -0.78 -4.42 118.16 115.98 1tm9 n LYS 55 Ca 0.23 -2.15 -0.13 0.00 -2.87 0.00 0.00 58.31 53.39 1tm9 n LYS 55 Cb 0.92 -1.93 -0.14 0.00 -1.84 0.00 0.00 35.03 32.05 1tm9 n LYS 55 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tm9 s ASP 56 N -0.57 -0.07 0.00 4.39 1.11 -1.26 -5.03 116.67 115.23 1tm9 s ASP 56 Ca 0.39 0.16 0.00 0.00 0.18 0.00 0.00 52.55 53.28 1tm9 s ASP 56 Cb 0.31 0.15 0.00 0.00 1.07 0.00 0.00 42.92 44.45 1tm9 s ASP 56 CO 0.09 -0.05 0.51 1.21 1.18 0.00 0.00 175.17 178.12 1tm9 n GLU 57 N 3.23 0.00 -0.21 8.23 2.13 -1.26 0.21 120.64 132.96 1tm9 n GLU 57 Ca -0.15 0.30 0.11 0.00 0.66 0.00 0.00 57.16 58.09 1tm9 n GLU 57 Cb 0.58 -1.01 0.22 0.00 0.27 0.00 0.00 31.44 31.50 1tm9 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1tm9 n ASN 58 N -0.83 -0.01 0.11 4.31 4.13 -1.26 0.13 115.26 121.84 1tm9 n ASN 58 Ca 0.00 1.06 -0.04 0.00 1.68 0.00 0.00 54.58 57.27 1tm9 n ASN 58 Cb 0.00 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 37.81 1tm9 n ASN 58 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1tm9 h GLN 59 N 0.00 -0.28 -1.18 3.52 7.50 -1.57 0.31 115.11 123.41 1tm9 h GLN 59 Ca 0.41 0.02 0.34 0.00 0.50 0.00 0.00 58.65 59.91 1tm9 h GLN 59 Cb 0.91 0.06 -0.07 0.00 0.05 0.00 0.00 27.48 28.43 1tm9 h GLN 59 CO -0.57 -0.18 0.81 -0.56 -1.50 0.00 0.00 178.83 176.83 1tm9 h GLN 60 N -0.34 0.14 0.36 1.46 3.07 0.73 0.62 115.11 121.15 1tm9 h GLN 60 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 1tm9 h GLN 60 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.75 1tm9 h GLN 60 CO 0.05 0.09 -0.17 0.82 0.09 0.00 0.00 178.83 179.71 1tm9 h ILE 61 N 0.14 0.00 -0.50 1.86 2.04 0.13 -0.37 117.51 120.80 1tm9 h ILE 61 Ca 0.61 -0.35 0.15 0.00 1.00 0.00 0.00 64.86 66.27 1tm9 h ILE 61 Cb 2.10 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1tm9 h ILE 61 CO -0.15 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 178.12 1tm9 h GLU 62 N -0.83 0.00 0.19 2.37 5.08 0.12 -0.55 114.58 120.96 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 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tm9 h GLU 62 CO 0.08 0.00 -0.09 0.82 -1.00 0.00 0.00 179.01 178.82 1tm9 h ILE 63 N 0.00 0.80 -0.95 3.13 2.04 0.24 -0.40 117.51 122.37 1tm9 h ILE 63 Ca 0.24 -1.03 0.11 0.00 1.00 0.00 0.00 64.86 65.17 1tm9 h ILE 63 Cb 1.14 1.32 -0.13 0.00 -0.74 0.00 0.00 36.82 38.40 1tm9 h ILE 63 CO -0.00 0.20 -0.52 0.00 0.00 0.00 0.00 178.15 177.82 1tm9 h THR 64 N -0.85 0.00 0.02 -0.27 1.03 0.60 1.16 112.91 114.60 1tm9 h THR 64 Ca -0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1tm9 h THR 64 Cb 0.52 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.60 1tm9 h THR 64 CO 0.04 0.00 -0.01 0.11 -0.01 0.00 0.00 175.52 175.65 1tm9 h LYS 65 N -0.03 -0.03 -0.85 0.00 1.57 -1.58 -2.38 116.57 113.27 1tm9 h LYS 65 Ca 0.21 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.21 1tm9 h LYS 65 Cb 0.48 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.66 1tm9 h LYS 65 CO -0.93 0.13 0.24 0.82 -0.57 0.00 0.00 179.45 179.14 1tm9 h ILE 66 N -0.17 0.37 -0.48 1.86 2.04 0.11 1.59 117.51 122.83 1tm9 h ILE 66 Ca -0.00 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1tm9 h ILE 66 Cb 0.16 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1tm9 h ILE 66 CO 0.00 0.04 0.27 0.00 0.00 0.00 0.00 178.15 178.47 1tm9 h ALA 67 N 1.74 0.61 -0.37 1.87 0.00 0.16 0.60 119.26 123.88 1tm9 h ALA 67 Ca 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 1tm9 h ALA 67 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1tm9 h ALA 67 CO -0.61 -0.05 -0.15 0.28 0.00 0.00 0.00 179.25 178.72 1tm9 h VAL 68 N 0.54 1.28 -0.31 0.00 2.07 0.79 1.06 116.25 121.68 1tm9 h VAL 68 Ca 0.20 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.55 1tm9 h VAL 68 Cb 0.05 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1tm9 h VAL 68 CO -0.11 0.42 0.24 -1.13 0.02 0.00 0.00 177.57 177.01 1tm9 h ASN 69 N 0.54 0.00 0.19 0.57 -1.24 0.26 1.80 115.58 117.70 1tm9 h ASN 69 Ca 0.08 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.74 1tm9 h ASN 69 Cb 0.69 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.70 1tm9 h ASN 69 CO 0.05 0.00 -2.02 0.59 -1.29 0.00 0.00 177.43 174.75 1tm9 n ASN 70 N -4.29 1.65 -0.00 1.15 5.03 0.14 -3.90 115.26 115.03 1tm9 n ASN 70 Ca 0.05 0.20 -0.13 0.00 0.87 0.00 0.00 54.58 55.57 1tm9 n ASN 70 Cb 0.41 -0.47 -0.09 0.00 -1.02 0.00 0.00 39.78 38.61 1tm9 n ASN 70 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1tm9 h ILE 71 N 0.04 1.27 -1.03 2.41 1.08 0.26 -1.19 117.51 120.35 1tm9 h ILE 71 Ca -0.42 -0.80 0.28 0.00 -0.39 0.00 0.00 64.86 63.53 1tm9 h ILE 71 Cb 2.03 1.78 -0.12 0.00 -3.07 0.00 0.00 36.82 37.44 1tm9 h ILE 71 CO 0.06 0.21 0.63 0.07 -0.69 0.00 0.00 178.15 178.42 1tm9 h LYS 72 N -0.30 0.44 -0.08 2.37 2.10 0.25 0.93 116.57 122.28 1tm9 h LYS 72 Ca 0.00 -0.03 -0.19 0.00 -2.00 0.00 0.00 60.65 58.44 1tm9 h LYS 72 Cb 0.34 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1tm9 h LYS 72 CO 0.00 0.29 -0.73 1.15 -2.00 0.00 0.00 179.45 178.16 1tm9 h THR 73 N 0.45 1.37 0.00 0.07 2.02 -1.60 -2.75 112.91 112.47 1tm9 h THR 73 Ca 0.66 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.71 1tm9 h THR 73 Cb 1.48 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1tm9 h THR 73 CO -0.45 0.64 0.07 -0.07 0.37 0.00 0.00 175.52 176.08 1tm9 h LEU 74 N 0.29 0.00 -3.23 2.58 3.38 0.21 -0.05 115.31 118.49 1tm9 h LEU 74 Ca -0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.64 1tm9 h LEU 74 Cb 1.31 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.90 1tm9 h LEU 74 CO 0.13 0.00 0.39 -1.20 0.09 0.00 0.00 178.44 177.84 1tm9 n SER 75 N -2.64 4.74 -0.89 -0.43 7.64 -0.82 -3.53 113.62 117.68 1tm9 n SER 75 Ca -0.02 -2.95 -0.06 0.00 1.01 0.00 0.00 58.87 56.85 1tm9 n SER 75 Cb 0.12 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 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 -0.09 -0.80 -0.31 6.43 7.64 -0.03 -4.91 113.62 121.55 1tm9 n SER 76 Ca 0.32 -1.70 0.12 0.00 1.01 0.00 0.00 58.87 58.61 1tm9 n SER 76 Cb 0.88 0.24 0.22 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 0.00 0.00 -0.06 0.44 0.31 -1.23 -4.26 118.33 113.53 1tm9 n VAL 77 Ca -0.22 -0.16 -0.06 0.00 -0.01 0.00 0.00 64.34 63.88 1tm9 n VAL 77 Cb 0.63 0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 34.21 1tm9 n VAL 77 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1tm9 h GLY 78 N 4.91 0.00 -1.00 2.92 0.00 -1.84 -3.24 103.07 104.82 1tm9 h GLY 78 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1tm9 h GLY 78 CO 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.14 1tm9 n ALA 79 N -2.81 -0.14 -3.52 3.60 0.00 -1.26 -2.01 120.51 114.37 1tm9 n ALA 79 Ca -0.05 0.99 -0.37 0.00 0.00 0.00 0.00 53.44 54.01 1tm9 n ALA 79 Cb 0.21 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 1tm9 n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1tm9 n THR 80 N -5.46 3.38 0.00 0.00 5.66 -1.26 -4.98 114.28 111.61 1tm9 n THR 80 Ca 0.10 -5.25 0.00 0.00 -3.05 0.00 0.00 64.05 55.85 1tm9 n THR 80 Cb 0.39 -2.34 0.00 0.00 -1.55 0.00 0.00 70.33 66.84 1tm9 n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tm9 n GLY 81 N 2.08 0.74 1.20 1.09 0.00 -0.85 -4.86 105.19 104.59 1tm9 n GLY 81 Ca 0.23 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1tm9 n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tm9 n GLN 82 N 0.00 0.00 -2.75 1.61 -0.06 -1.25 -4.51 117.38 110.42 1tm9 n GLN 82 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.64 1tm9 n GLN 82 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1tm9 s TYR 83 N -0.66 3.53 0.12 3.69 2.02 -1.26 -4.69 117.35 120.10 1tm9 s TYR 83 Ca 0.00 1.72 -0.11 0.00 -0.37 0.00 0.00 57.07 58.31 1tm9 s TYR 83 Cb 0.00 -2.94 -0.09 0.00 -0.40 0.00 0.00 41.96 38.52 1tm9 s TYR 83 CO 0.00 -0.02 1.38 0.52 -1.57 0.00 0.00 175.55 175.86 1tm9 h MET 84 N 2.76 0.82 -0.44 -0.62 2.86 -1.95 -3.18 114.93 115.18 1tm9 h MET 84 Ca -0.48 -0.57 0.02 0.00 -2.06 0.00 0.00 59.70 56.62 1tm9 h MET 84 Cb 1.19 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.91 1tm9 h MET 84 CO 0.64 1.20 0.25 0.00 1.06 0.00 0.00 176.91 180.05 1tm9 h ALA 85 N 0.67 0.55 -0.91 6.32 0.00 -1.94 -2.57 119.26 121.38 1tm9 h ALA 85 Ca -0.01 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1tm9 h ALA 85 Cb 1.25 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1tm9 h ALA 85 CO 0.14 -0.08 -0.40 1.03 0.00 0.00 0.00 179.25 179.94 1tm9 h SER 86 N 0.50 -1.45 -1.03 0.00 0.87 -1.96 1.14 113.55 111.63 1tm9 h SER 86 Ca 0.18 0.30 0.30 0.00 -1.23 0.00 0.00 61.79 61.33 1tm9 h SER 86 Cb 0.03 0.74 -0.13 0.00 -0.44 0.00 0.00 62.40 62.60 1tm9 h SER 86 CO -0.09 -0.29 0.61 0.15 -0.53 0.00 0.00 176.83 176.68 1tm9 h PHE 87 N -0.04 0.91 -0.06 2.24 3.57 -1.53 1.32 116.94 123.35 1tm9 h PHE 87 Ca 0.31 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.86 1tm9 h PHE 87 Cb 0.57 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1tm9 h PHE 87 CO -0.84 -0.06 0.23 0.35 -2.23 0.00 0.00 178.31 175.76 1tm9 h PHE 88 N 0.41 0.00 0.68 0.41 3.04 0.13 -1.61 116.94 120.00 1tm9 h PHE 88 Ca 0.69 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.61 1tm9 h PHE 88 Cb 1.55 0.00 0.01 0.00 2.56 0.00 0.00 35.95 40.07 1tm9 h PHE 88 CO -0.01 0.00 -0.32 1.03 -2.02 0.00 0.00 178.31 176.99 1tm9 h SER 89 N 0.00 -0.77 0.00 0.41 0.87 0.18 -3.11 113.55 111.13 1tm9 h SER 89 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1tm9 h SER 89 Cb 0.49 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1tm9 h SER 89 CO -0.00 -0.50 0.00 0.35 -0.53 0.00 0.00 176.83 176.15 1tm9 n THR 90 N -5.45 0.00 -2.68 2.23 -2.24 -0.69 -4.38 114.28 101.08 1tm9 n THR 90 Ca -0.13 0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 61.91 1tm9 n THR 90 Cb 0.38 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.04 1tm9 n THR 90 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1tm9 s ASN 91 N -2.44 6.81 -0.19 3.42 3.84 -0.71 -4.68 114.94 120.99 1tm9 s ASN 91 Ca 0.00 -2.35 -0.19 0.00 0.21 0.00 0.00 52.86 50.53 1tm9 s ASN 91 Cb 0.00 -2.53 -0.21 0.00 -0.55 0.00 0.00 41.25 37.96 1tm9 s ASN 91 CO 0.00 -1.14 0.28 0.77 -2.79 0.00 0.00 177.10 174.22 1tm9 h SER 92 N 7.98 0.09 -0.87 -4.21 4.64 -1.74 -2.75 113.55 116.70 1tm9 h SER 92 Ca 0.36 -0.62 0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1tm9 h SER 92 Cb 0.91 -0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 62.80 1tm9 h SER 92 CO 1.39 1.55 -0.24 -0.33 -0.87 0.00 0.00 176.83 178.33 1tm9 h GLU 93 N -0.78 -0.01 0.01 4.77 5.08 -1.88 1.70 114.58 123.48 1tm9 h GLU 93 Ca -0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1tm9 h GLU 93 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1tm9 h GLU 93 CO -0.14 -0.01 -0.01 -1.00 -1.00 0.00 0.00 179.01 176.86 1tm9 h PRO 94 N -0.01 -0.02 -0.04 2.33 0.13 -1.96 -2.86 132.00 129.58 1tm9 h PRO 94 Ca 0.40 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.54 1tm9 h PRO 94 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1tm9 h PRO 94 CO -0.89 0.70 0.27 0.00 -0.23 0.00 0.00 178.00 177.84 1tm9 h ALA 95 N 0.18 1.35 0.19 -0.56 0.00 -0.94 -1.39 119.26 118.10 1tm9 h ALA 95 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1tm9 h ALA 95 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tm9 h ALA 95 CO 0.00 -0.29 -0.09 0.82 0.00 0.00 0.00 179.25 179.69 1tm9 h ILE 96 N 0.00 0.00 -1.57 0.00 2.04 0.26 -2.66 117.51 115.58 1tm9 h ILE 96 Ca 0.02 -0.77 0.50 0.00 1.00 0.00 0.00 64.86 65.61 1tm9 h ILE 96 Cb 0.55 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.52 1tm9 h ILE 96 CO -0.00 0.00 1.07 0.40 0.00 0.00 0.00 178.15 179.62 1tm9 h ILE 97 N -1.03 0.04 -0.06 -0.67 5.03 -1.03 1.43 117.51 121.21 1tm9 h ILE 97 Ca -0.03 -0.01 -0.05 0.00 -0.12 0.00 0.00 64.86 64.66 1tm9 h ILE 97 Cb 0.20 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1tm9 h ILE 97 CO 0.04 0.00 -0.15 -0.26 -0.68 0.00 0.00 178.15 177.11 1tm9 h PHE 98 N 0.02 0.28 -0.98 1.37 0.04 -1.49 -2.54 116.94 113.64 1tm9 h PHE 98 Ca 0.88 -0.10 0.32 0.00 2.80 0.00 0.00 57.97 61.87 1tm9 h PHE 98 Cb 3.10 -0.05 -0.15 0.00 2.20 0.00 0.00 35.95 41.05 1tm9 h PHE 98 CO -0.00 0.76 0.49 0.00 -0.60 0.00 0.00 178.31 178.95 1tm9 h VAL 100 N 0.26 1.30 -0.40 0.00 2.07 -1.36 -2.53 116.25 115.58 1tm9 h VAL 100 Ca 0.71 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1tm9 h VAL 100 Cb 1.62 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1tm9 h VAL 100 CO -0.65 0.46 0.11 0.40 0.02 0.00 0.00 177.57 177.91 1tm9 h ILE 101 N 0.48 1.18 0.00 4.57 1.08 0.24 -2.68 117.51 122.37 1tm9 h ILE 101 Ca 0.05 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1tm9 h ILE 101 Cb 0.85 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1tm9 h ILE 101 CO 0.07 0.23 0.00 -1.22 -0.69 0.00 0.00 178.15 176.54 1tm9 n TYR 102 N -4.33 0.00 -0.30 1.37 4.02 0.40 -2.03 117.16 116.30 1tm9 n TYR 102 Ca 0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.96 1tm9 n TYR 102 Cb 0.19 -0.31 0.11 0.00 -0.02 0.00 0.00 39.34 39.31 1tm9 n TYR 102 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1tm9 n PHE 103 N -1.43 0.29 0.00 -0.72 -0.00 -0.97 0.14 117.46 114.77 1tm9 n PHE 103 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.45 1tm9 n PHE 103 Cb 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 39.48 38.51 1tm9 n PHE 103 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1tm9 n LEU 104 N -5.33 0.00 0.11 -2.13 4.77 -1.01 -1.26 117.00 112.14 1tm9 n LEU 104 Ca 0.13 0.68 0.20 0.00 -0.03 0.00 0.00 56.01 56.99 1tm9 n LEU 104 Cb 0.41 -0.18 0.72 0.00 -2.33 0.00 0.00 43.42 42.04 1tm9 n LEU 104 CO -0.10 -0.18 1.18 1.88 -1.33 0.00 0.00 177.39 178.83 1tm9 h TYR 105 N 0.00 0.00 -0.40 -1.77 0.05 -0.57 0.56 116.97 114.84 1tm9 h TYR 105 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1tm9 h TYR 105 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1tm9 h TYR 105 CO -0.13 0.00 0.19 0.45 -1.05 0.00 0.00 178.16 177.62 1tm9 h HIS 106 N 0.00 0.54 -0.78 4.88 3.86 0.27 -2.42 115.15 121.51 1tm9 h HIS 106 Ca 0.19 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.83 1tm9 h HIS 106 Cb 1.17 -0.17 -0.38 0.00 1.06 0.00 0.00 27.41 29.09 1tm9 h HIS 106 CO 0.00 0.40 -0.45 1.19 0.86 0.00 0.00 177.93 179.93 1tm9 n PHE 107 N -4.41 2.75 -4.03 2.45 3.72 0.19 -4.96 117.46 113.17 1tm9 n PHE 107 Ca 0.03 -2.36 -0.38 0.00 -0.05 0.00 0.00 57.45 54.69 1tm9 n PHE 107 Cb 0.12 -0.57 0.01 0.00 -0.94 0.00 0.00 39.48 38.10 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 -0.77 -0.62 0.34 1.37 0.00 -0.91 -4.85 105.19 99.75 1tm9 n GLY 108 Ca 0.47 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.58 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 -4.37 0.00 -1.91 1.61 3.72 -0.89 -4.99 117.46 110.63 1tm9 n PHE 109 Ca -0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.88 1tm9 n PHE 109 Cb 0.48 -0.64 -0.01 0.00 -0.94 0.00 0.00 39.48 38.37 1tm9 n PHE 109 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1tm9 s LEU 110 N -6.67 4.36 -0.23 4.37 1.43 -1.26 -4.96 118.68 115.72 1tm9 s LEU 110 Ca -0.24 2.88 -0.09 0.00 -1.03 0.00 0.00 54.13 55.66 1tm9 s LEU 110 Cb 0.08 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1tm9 s LEU 110 CO 0.33 -0.76 0.10 -0.54 0.23 0.00 0.00 176.35 175.71 1tm9 s LYS 111 N -1.52 3.90 0.43 1.70 1.02 -1.26 -4.89 119.74 119.11 1tm9 s LYS 111 Ca 0.54 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.20 1tm9 s LYS 111 Cb -0.44 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1tm9 s LYS 111 CO 0.55 0.04 0.08 0.16 -0.92 0.00 0.00 175.35 175.27 1tm9 s ASP 112 N 1.05 3.14 -0.34 2.83 -4.77 -1.26 -4.41 116.67 112.91 1tm9 s ASP 112 Ca 0.05 -1.63 0.01 0.00 -3.30 0.00 0.00 52.55 47.68 1tm9 s ASP 112 Cb -0.14 0.42 0.35 0.00 -1.09 0.00 0.00 42.92 42.46 1tm9 s ASP 112 CO 0.04 -0.86 1.78 -3.20 0.70 0.00 0.00 175.17 173.63 1tm9 n ASN 113 N -1.22 5.05 -2.67 2.11 5.15 -1.26 -4.02 115.26 118.39 1tm9 n ASN 113 Ca -0.09 -3.12 -0.05 0.00 -0.60 0.00 0.00 54.58 50.73 1tm9 n ASN 113 Cb 0.66 -0.87 0.06 0.00 -0.53 0.00 0.00 39.78 39.10 1tm9 n ASN 113 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1tm9 n ASN 114 N -0.26 -1.41 -4.46 1.20 2.85 -1.26 -5.09 115.26 106.83 1tm9 n ASN 114 Ca 0.38 -2.07 -0.37 0.00 -0.11 0.00 0.00 54.58 52.42 1tm9 n ASN 114 Cb 0.93 1.16 -0.17 0.00 1.24 0.00 0.00 39.78 42.94 1tm9 n ASN 114 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1tm9 n LYS 115 N -0.11 0.00 -2.82 1.20 4.81 -1.26 -4.66 118.16 115.32 1tm9 n LYS 115 Ca -0.13 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.32 1tm9 n LYS 115 Cb 0.72 -1.38 0.01 0.00 0.02 0.00 0.00 35.03 34.40 1tm9 n LYS 115 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1tm9 n LYS 116 N 7.78 0.14 0.30 1.64 4.76 -1.26 -5.05 118.16 126.47 1tm9 n LYS 116 Ca 0.66 -0.46 -0.17 0.00 -2.87 0.00 0.00 58.31 55.47 1tm9 n LYS 116 Cb 0.05 0.71 -0.08 0.00 -1.84 0.00 0.00 35.03 33.87 1tm9 n LYS 116 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1tm9 h GLN 117 N 0.00 -0.79 0.00 1.97 3.07 -1.97 -3.41 115.11 113.98 1tm9 h GLN 117 Ca -0.11 0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1tm9 h GLN 117 Cb 0.57 0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1tm9 h GLN 117 CO 0.16 -0.53 0.00 1.51 0.09 0.00 0.00 178.83 180.06 1tm9 n ILE 118 N -5.47 0.00 0.22 1.86 3.06 -1.26 0.23 119.36 118.00 1tm9 n ILE 118 Ca -0.12 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.02 1tm9 n ILE 118 Cb 0.36 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.49 1tm9 n ILE 118 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1tm9 h ILE 119 N 0.00 0.00 -1.59 9.51 1.08 -1.95 -1.08 117.51 123.49 1tm9 h ILE 119 Ca 0.00 0.00 0.48 0.00 -0.39 0.00 0.00 64.86 64.95 1tm9 h ILE 119 Cb 0.00 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.66 1tm9 h ILE 119 CO 0.00 0.00 1.11 1.17 -0.69 0.00 0.00 178.15 179.74 1tm9 n LYS 120 N -4.09 -0.01 0.40 2.37 4.81 0.63 0.15 118.16 122.42 1tm9 n LYS 120 Ca -0.08 1.02 -0.16 0.00 -0.87 0.00 0.00 58.31 58.22 1tm9 n LYS 120 Cb 0.28 -2.22 -0.08 0.00 0.02 0.00 0.00 35.03 33.03 1tm9 n LYS 120 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1tm9 h LYS 121 N 0.00 -1.00 0.00 1.64 1.63 0.89 0.29 116.57 120.02 1tm9 h LYS 121 Ca 0.82 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.69 1tm9 h LYS 121 Cb 3.10 0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 34.95 1tm9 h LYS 121 CO -0.15 -0.67 -0.01 0.00 -3.45 0.00 0.00 179.45 175.18 1tm9 h ALA 122 N -1.34 -0.55 -1.49 5.00 0.00 0.17 1.60 119.26 122.64 1tm9 h ALA 122 Ca -0.11 -0.00 0.45 0.00 0.00 0.00 0.00 54.91 55.25 1tm9 h ALA 122 Cb 0.80 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1tm9 h ALA 122 CO 0.17 -0.55 1.04 1.88 0.00 0.00 0.00 179.25 181.79 1tm9 h TYR 123 N -0.01 0.22 0.13 0.00 0.05 -1.44 1.59 116.97 117.51 1tm9 h TYR 123 Ca -0.00 0.01 -0.29 0.00 0.05 0.00 0.00 58.73 58.50 1tm9 h TYR 123 Cb 0.01 -0.06 0.02 0.00 1.01 0.00 0.00 36.73 37.71 1tm9 h TYR 123 CO -0.31 -0.06 -1.24 1.49 -1.05 0.00 0.00 178.16 176.99 1tm9 h GLU 124 N 0.06 0.47 0.00 4.88 4.81 0.89 0.15 114.58 125.83 1tm9 h GLU 124 Ca 0.78 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1tm9 h GLU 124 Cb 2.83 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 32.45 1tm9 h GLU 124 CO -0.16 1.30 -0.03 0.00 -0.73 0.00 0.00 179.01 179.38 1tm9 h THR 125 N 0.18 0.59 0.00 0.32 1.03 1.40 -1.68 112.91 114.76 1tm9 h THR 125 Ca -0.17 -0.14 -0.12 0.00 -0.01 0.00 0.00 66.41 65.97 1tm9 h THR 125 Cb 1.93 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 70.08 1tm9 h THR 125 CO 0.22 0.03 -1.14 -0.38 -0.01 0.00 0.00 175.52 174.24 1tm9 n ILE 126 N -3.87 1.48 -0.67 0.00 5.41 -0.46 -2.38 119.36 118.87 1tm9 n ILE 126 Ca -0.03 0.05 0.51 0.00 1.00 0.00 0.00 62.75 64.29 1tm9 n ILE 126 Cb 0.12 -2.24 0.81 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 -0.92 3.80 0.00 -1.39 0.00 -0.64 1.77 119.26 121.88 1tm9 h ALA 127 Ca -0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1tm9 h ALA 127 Cb 0.99 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1tm9 h ALA 127 CO -0.11 -2.36 -0.60 -3.47 0.00 0.00 0.00 179.25 172.71 1tm9 n ASP 128 N -3.92 1.82 -0.28 0.00 -0.08 -0.64 -3.67 116.55 109.78 1tm9 n ASP 128 Ca 0.43 0.61 0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1tm9 n ASP 128 Cb 1.96 -0.88 0.25 0.00 2.34 0.00 0.00 41.12 44.79 1tm9 n ASP 128 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1tm9 h ASN 129 N -1.00 0.05 -0.49 1.67 4.21 -0.31 1.56 115.58 121.27 1tm9 h ASN 129 Ca -0.03 0.17 0.08 0.00 1.21 0.00 0.00 56.30 57.73 1tm9 h ASN 129 Cb 0.60 0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.99 1tm9 h ASN 129 CO -0.02 -0.09 0.33 -0.29 -1.29 0.00 0.00 177.43 176.07 1tm9 h ILE 130 N 0.26 0.92 0.00 2.81 2.10 0.23 0.94 117.51 124.77 1tm9 h ILE 130 Ca 0.50 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 66.33 1tm9 h ILE 130 Cb 0.95 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1tm9 h ILE 130 CO -0.59 0.06 0.00 0.00 -1.08 0.00 0.00 178.15 176.54 1tm9 n ALA 131 N -2.53 2.36 0.02 0.18 0.00 0.53 -1.72 120.51 119.35 1tm9 n ALA 131 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1tm9 n ALA 131 Cb 0.33 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 0.00 0.12 -0.41 0.00 3.58 0.13 -3.38 116.42 116.46 1tm9 h ASP 132 Ca 0.00 -0.19 -0.30 0.00 0.42 0.00 0.00 57.03 56.96 1tm9 h ASP 132 Cb 0.00 -0.04 -0.36 0.00 1.72 0.00 0.00 39.33 40.65 1tm9 h ASP 132 CO 0.00 1.16 -0.95 0.00 -2.88 0.00 0.00 179.24 176.57 1tm9 n TYR 133 N -3.25 1.36 0.00 0.28 0.18 -0.97 -4.91 117.16 109.85 1tm9 n TYR 133 Ca -0.13 -1.83 0.00 0.00 1.88 0.00 0.00 57.90 57.82 1tm9 n TYR 133 Cb 1.02 -0.25 0.00 0.00 -0.38 0.00 0.00 39.34 39.73 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 -0.51 1.29 0.00 -3.48 4.77 -0.70 -5.05 117.00 113.32 1tm9 n LEU 134 Ca 0.19 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1tm9 n LEU 134 Cb 0.89 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1tm9 n LEU 134 CO 0.14 -0.02 0.00 -3.20 -1.33 0.00 0.00 177.39 172.98 1tm9 n ASN 135 N -1.10 0.00 -2.91 -1.43 2.85 -1.26 -5.06 115.26 106.35 1tm9 n ASN 135 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 1tm9 n ASN 135 Cb 0.00 0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.03 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1tm9 s GLU 136 N -0.42 1.00 0.00 1.20 2.12 -1.26 -5.12 118.70 116.23 1tm9 s GLU 136 Ca 0.00 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.32 1tm9 s GLU 136 Cb 0.00 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1tm9 s GLU 136 CO 0.00 -1.31 0.00 -1.71 -0.54 0.00 0.00 175.26 171.70