#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm9 n GLU 2 N 0.00 0.00 -0.05 3.17 0.28 -1.26 -5.01 120.64 117.76 1tm9 n GLU 2 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1tm9 n GLU 2 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1tm9 n GLU 2 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1tm9 n GLN 3 N 0.00 0.33 -0.24 3.44 6.02 -1.26 -4.95 117.38 120.72 1tm9 n GLN 3 Ca 0.00 0.26 0.03 0.00 -0.01 0.00 0.00 57.00 57.28 1tm9 n GLN 3 Cb 0.00 -1.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1tm9 n ASN 4 N -3.82 -4.42 -0.05 1.08 3.02 -1.26 -2.65 115.26 107.15 1tm9 n ASN 4 Ca -0.07 0.26 -0.09 0.00 -0.03 0.00 0.00 54.58 54.65 1tm9 n ASN 4 Cb 0.28 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tm9 n ASN 5 N -2.03 1.57 0.00 6.41 3.02 -1.26 -4.23 115.26 118.75 1tm9 n ASN 5 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1tm9 n ASN 5 Cb 0.11 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1tm9 n ASN 5 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1tm9 n ILE 6 N -4.06 0.00 -0.34 2.41 2.08 -1.26 0.17 119.36 118.36 1tm9 n ILE 6 Ca -0.15 1.42 0.16 0.00 0.56 0.00 0.00 62.75 64.74 1tm9 n ILE 6 Cb 0.43 -2.40 0.31 0.00 -0.75 0.00 0.00 39.64 37.23 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 0.00 0.07 0.38 3.11 -1.87 0.83 116.57 119.09 1tm9 h LYS 7 Ca 0.00 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1tm9 h LYS 7 Cb 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1tm9 h LYS 7 CO 0.00 0.00 -0.03 1.49 -2.81 0.00 0.00 179.45 178.10 1tm9 h GLU 8 N 0.00 -0.09 -1.01 1.90 4.81 -1.29 -2.29 114.58 116.61 1tm9 h GLU 8 Ca 0.62 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 60.14 1tm9 h GLU 8 Cb 1.30 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.56 1tm9 h GLU 8 CO -0.93 0.09 0.59 1.96 -0.73 0.00 0.00 179.01 179.99 1tm9 h GLN 9 N -0.26 0.43 0.11 1.92 4.20 0.87 0.36 115.11 122.74 1tm9 h GLN 9 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1tm9 h GLN 9 Cb 0.22 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1tm9 h GLN 9 CO 0.02 0.28 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.34 1tm9 h LEU 10 N 0.44 -0.12 0.32 1.46 3.38 -0.72 -2.46 115.31 117.60 1tm9 h LEU 10 Ca 0.69 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1tm9 h LEU 10 Cb 1.48 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 1tm9 h LEU 10 CO -0.54 0.14 -0.48 0.40 0.09 0.00 0.00 178.44 178.04 1tm9 h ILE 11 N -0.39 0.00 -0.96 1.22 5.03 0.10 0.21 117.51 122.72 1tm9 h ILE 11 Ca -0.01 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.93 1tm9 h ILE 11 Cb 0.32 0.00 -0.18 0.00 -3.03 0.00 0.00 36.82 33.93 1tm9 h ILE 11 CO 0.02 0.00 -0.18 -0.24 -0.68 0.00 0.00 178.15 177.07 1tm9 n SER 12 N -5.30 -0.29 0.00 1.72 2.88 0.66 0.23 113.62 113.51 1tm9 n SER 12 Ca -0.10 1.65 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 1tm9 n SER 12 Cb 0.41 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1tm9 n SER 12 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1tm9 n PHE 13 N -5.54 0.00 -0.55 0.66 3.72 -0.70 -2.33 117.46 112.72 1tm9 n PHE 13 Ca 0.17 0.00 0.44 0.00 -0.05 0.00 0.00 57.45 58.01 1tm9 n PHE 13 Cb 0.54 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.79 1tm9 n PHE 13 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1tm9 n PHE 14 N -0.47 0.40 0.01 1.38 7.35 0.64 0.21 117.46 126.98 1tm9 n PHE 14 Ca 0.00 0.41 -0.11 0.00 -0.76 0.00 0.00 57.45 56.98 1tm9 n PHE 14 Cb 0.00 -0.86 -0.06 0.00 0.35 0.00 0.00 39.48 38.92 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 0.05 -0.33 -2.13 -0.73 0.28 -2.24 115.58 110.47 1tm9 h ASN 15 Ca 0.88 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 58.81 1tm9 h ASN 15 Cb 3.12 -0.01 -0.09 0.00 0.27 0.00 0.00 38.32 41.62 1tm9 h ASN 15 CO -0.27 0.04 0.02 0.00 -0.37 0.00 0.00 177.43 176.85 1tm9 n GLN 16 N -5.06 1.82 0.00 6.67 10.64 0.56 -4.08 117.38 127.93 1tm9 n GLN 16 Ca -0.06 -1.17 0.00 0.00 -1.83 0.00 0.00 57.00 53.94 1tm9 n GLN 16 Cb 0.04 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 27.69 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 1.51 2.13 -3.14 2.61 0.00 -0.88 -4.69 120.51 118.06 1tm9 n ALA 17 Ca 0.32 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.79 1tm9 n ALA 17 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 5.06 0.74 0.00 0.00 7.64 -1.26 -4.90 113.62 120.90 1tm9 n SER 19 Ca 0.07 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1tm9 n SER 19 Cb 0.56 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1tm9 n SER 19 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1tm9 n THR 20 N -3.21 0.00 0.00 0.44 -2.24 -1.26 -4.57 114.28 103.44 1tm9 n THR 20 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1tm9 n THR 20 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.00 0.00 0.08 4.78 8.25 -1.26 -4.87 115.22 122.20 1tm9 n HIS 21 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1tm9 n HIS 21 Cb 0.00 0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 1tm9 n HIS 21 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1tm9 h GLN 22 N 0.00 0.22 -0.40 -0.41 -0.00 -2.01 -3.11 115.11 109.40 1tm9 h GLN 22 Ca 0.00 -0.26 0.12 0.00 -0.00 0.00 0.00 58.65 58.50 1tm9 h GLN 22 Cb 0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 27.54 1tm9 h GLN 22 CO 0.00 1.01 0.47 1.49 -0.00 0.00 0.00 178.83 181.81 1tm9 h GLU 23 N 0.11 0.00 -0.19 0.06 4.57 -1.90 0.44 114.58 117.67 1tm9 h GLU 23 Ca -0.06 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.90 1tm9 h GLU 23 Cb 1.59 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.19 1tm9 h GLU 23 CO 0.15 0.00 -0.73 0.07 -1.18 0.00 0.00 179.01 177.32 1tm9 h ARG 24 N 0.00 0.82 -0.63 1.92 0.11 -1.78 -2.99 114.38 111.82 1tm9 h ARG 24 Ca 0.19 -0.64 0.06 0.00 0.10 0.00 0.00 59.98 59.69 1tm9 h ARG 24 Cb 1.14 0.12 -0.04 0.00 1.11 0.00 0.00 29.97 32.30 1tm9 h ARG 24 CO -0.00 1.25 0.42 -0.07 0.10 0.00 0.00 179.97 181.66 1tm9 h LEU 25 N 0.58 0.56 -0.07 0.08 3.38 -0.25 0.72 115.31 120.30 1tm9 h LEU 25 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1tm9 h LEU 25 Cb 1.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1tm9 h LEU 25 CO 0.15 0.36 0.00 -0.67 0.09 0.00 0.00 178.44 178.38 1tm9 n ASP 26 N -4.47 0.15 -0.07 -0.43 2.03 -1.05 -3.54 116.55 109.16 1tm9 n ASP 26 Ca 0.09 0.52 -0.06 0.00 0.52 0.00 0.00 54.79 55.86 1tm9 n ASP 26 Cb 0.22 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 1tm9 n ASP 26 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1tm9 h PHE 27 N 0.00 0.00 -0.87 -0.67 3.04 0.54 -2.58 116.94 116.40 1tm9 h PHE 27 Ca 0.00 0.00 0.31 0.00 3.98 0.00 0.00 57.97 62.26 1tm9 h PHE 27 Cb 0.42 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.83 1tm9 h PHE 27 CO 0.00 0.25 0.54 0.44 -2.02 0.00 0.00 178.31 177.53 1tm9 n ILE 28 N -4.65 -0.19 -0.06 1.41 -5.35 -0.57 0.19 119.36 110.13 1tm9 n ILE 28 Ca -0.08 1.24 -0.07 0.00 -0.27 0.00 0.00 62.75 63.58 1tm9 n ILE 28 Cb 0.24 -2.03 -0.05 0.00 -1.74 0.00 0.00 39.64 36.07 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 -1.00 -1.61 -0.89 0.00 0.87 0.25 0.23 113.55 111.39 1tm9 h SER 30 Ca -0.04 0.26 0.18 0.00 -1.23 0.00 0.00 61.79 60.96 1tm9 h SER 30 Cb 0.48 0.73 -0.17 0.00 -0.44 0.00 0.00 62.40 63.00 1tm9 h SER 30 CO -0.02 -0.33 -0.23 0.74 -0.53 0.00 0.00 176.83 176.46 1tm9 h THR 31 N -0.20 0.11 -0.51 2.23 2.02 0.38 1.65 112.91 118.58 1tm9 h THR 31 Ca 0.18 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 67.05 1tm9 h THR 31 Cb 0.55 0.11 -0.15 0.00 -1.74 0.00 0.00 68.15 66.92 1tm9 h THR 31 CO -0.73 0.00 0.40 -2.11 0.37 0.00 0.00 175.52 173.45 1tm9 n ARG 32 N -5.57 1.76 -2.70 6.66 1.85 0.72 -4.29 116.66 115.09 1tm9 n ARG 32 Ca 0.13 -1.62 -0.05 0.00 -1.00 0.00 0.00 57.85 55.31 1tm9 n ARG 32 Cb 0.45 -1.64 0.06 0.00 -1.05 0.00 0.00 32.46 30.28 1tm9 n ARG 32 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1tm9 n GLU 33 N -0.02 0.34 0.00 2.89 4.07 0.56 -4.99 120.64 123.50 1tm9 n GLU 33 Ca 0.32 -1.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.30 1tm9 n GLU 33 Cb 0.82 -0.64 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 1tm9 n GLU 33 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1tm9 n SER 34 N 1.83 0.00 0.03 4.31 2.88 -1.17 -4.66 113.62 116.84 1tm9 n SER 34 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1tm9 n SER 34 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1tm9 n SER 34 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1tm9 n ASP 35 N 0.00 -0.62 -0.00 -3.46 -0.08 -1.26 -4.95 116.55 106.18 1tm9 n ASP 35 Ca 0.00 0.21 0.04 0.00 -1.51 0.00 0.00 54.79 53.53 1tm9 n ASP 35 Cb 0.00 0.82 -0.06 0.00 2.34 0.00 0.00 41.12 44.22 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 -2.53 0.00 -1.00 5.18 5.66 -1.26 -4.98 114.28 115.35 1tm9 n THR 36 Ca 0.00 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1tm9 n THR 36 Cb 0.00 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.76 0.00 0.08 1.09 3.72 -1.26 -4.70 117.46 114.62 1tm9 n PHE 37 Ca -0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1tm9 n PHE 37 Cb 0.20 -1.60 0.00 0.00 -0.94 0.00 0.00 39.48 37.14 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 -0.79 0.79 -0.21 4.37 2.88 -1.26 -4.53 113.62 114.86 1tm9 n SER 38 Ca 0.00 -0.89 0.06 0.00 -1.33 0.00 0.00 58.87 56.71 1tm9 n SER 38 Cb 0.40 0.35 0.11 0.00 -0.75 0.00 0.00 64.21 64.32 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 -0.29 2.50 0.00 -3.46 2.88 -1.26 -4.76 113.62 109.22 1tm9 n SER 39 Ca 0.01 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1tm9 n SER 39 Cb 0.04 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 -0.84 0.00 0.04 2.46 0.31 -1.26 -4.97 118.33 114.07 1tm9 n VAL 40 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1tm9 n VAL 40 Cb 0.53 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.00 0.76 -4.47 4.52 2.03 -1.26 -5.05 116.55 113.08 1tm9 n ASP 41 Ca 0.00 0.13 -0.50 0.00 0.52 0.00 0.00 54.79 54.94 1tm9 n ASP 41 Cb 0.00 -0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 40.15 1tm9 n ASP 41 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1tm9 n VAL 42 N -3.26 1.38 -2.53 5.18 3.14 -1.26 -4.87 118.33 116.11 1tm9 n VAL 42 Ca 0.00 -0.35 -0.37 0.00 -2.96 0.00 0.00 64.34 60.66 1tm9 n VAL 42 Cb 0.00 -0.23 -0.04 0.00 -1.06 0.00 0.00 33.84 32.51 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 -0.74 4.27 0.39 1.45 0.04 -1.26 -4.88 135.00 134.27 1tm9 s PRO 43 Ca 0.71 1.57 0.22 0.00 0.04 0.00 0.00 61.00 63.54 1tm9 s PRO 43 Cb -0.97 -2.68 0.26 0.00 0.04 0.00 0.00 34.50 31.15 1tm9 s PRO 43 CO 0.56 -0.06 1.51 -0.07 0.04 0.00 0.00 177.00 178.98 1tm9 h LEU 44 N 2.78 0.00 0.21 -3.56 3.38 -1.89 -2.89 115.31 113.35 1tm9 h LEU 44 Ca -0.48 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1tm9 h LEU 44 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1tm9 h LEU 44 CO 0.63 0.06 -0.48 -0.33 0.09 0.00 0.00 178.44 178.41 1tm9 h GLU 45 N 0.00 -0.75 -0.02 1.13 5.08 -1.97 0.84 114.58 118.89 1tm9 h GLU 45 Ca -0.00 0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1tm9 h GLU 45 Cb 1.05 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1tm9 h GLU 45 CO 0.01 -0.50 -0.38 -1.00 -1.00 0.00 0.00 179.01 176.14 1tm9 h PRO 46 N -0.78 0.30 -0.92 2.33 0.13 -1.84 -3.20 132.00 128.02 1tm9 h PRO 46 Ca -0.01 -0.29 0.18 0.00 -0.87 0.00 0.00 66.00 65.02 1tm9 h PRO 46 Cb 0.76 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.89 1tm9 h PRO 46 CO -0.22 0.97 0.59 0.82 -0.23 0.00 0.00 178.00 179.94 1tm9 h ILE 47 N -0.27 0.73 0.00 -3.56 1.08 -1.45 1.57 117.51 115.60 1tm9 h ILE 47 Ca -0.04 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1tm9 h ILE 47 Cb 1.09 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1tm9 h ILE 47 CO 0.08 0.10 0.00 0.11 -0.69 0.00 0.00 178.15 177.75 1tm9 h LYS 48 N 0.55 0.00 0.09 2.37 1.57 0.73 0.44 116.57 122.32 1tm9 h LYS 48 Ca 0.48 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.95 1tm9 h LYS 48 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1tm9 h LYS 48 CO -0.22 0.00 -1.70 -0.97 -0.57 0.00 0.00 179.45 175.99 1tm9 h ASN 49 N 0.00 0.28 0.69 0.86 -0.00 0.22 -3.30 115.58 114.33 1tm9 h ASN 49 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 1tm9 h ASN 49 Cb 0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1tm9 h ASN 49 CO 0.00 1.43 -0.27 2.30 -0.00 0.00 0.00 177.43 180.89 1tm9 n ILE 50 N -3.35 0.00 0.16 2.57 -5.35 -0.19 -3.25 119.36 109.95 1tm9 n ILE 50 Ca -0.21 -0.01 0.05 0.00 -0.27 0.00 0.00 62.75 62.32 1tm9 n ILE 50 Cb 1.04 -0.07 0.06 0.00 -1.74 0.00 0.00 39.64 38.93 1tm9 n ILE 50 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1tm9 h ILE 51 N 0.05 0.66 -0.43 7.28 2.04 -0.28 -3.24 117.51 123.58 1tm9 h ILE 51 Ca 0.00 -1.93 -0.29 0.00 1.00 0.00 0.00 64.86 63.64 1tm9 h ILE 51 Cb 0.49 2.32 -0.13 0.00 -0.74 0.00 0.00 36.82 38.77 1tm9 h ILE 51 CO 0.00 0.37 0.38 -0.62 0.00 0.00 0.00 178.15 178.28 1tm9 n GLU 52 N -3.19 1.72 -0.06 2.37 1.02 -1.20 -3.73 120.64 117.56 1tm9 n GLU 52 Ca 0.02 -1.41 -0.06 0.00 -0.02 0.00 0.00 57.16 55.69 1tm9 n GLU 52 Cb 0.69 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.43 0.86 -0.92 -3.67 0.13 -1.23 -4.43 119.36 110.53 1tm9 n ILE 53 Ca 0.27 -0.52 0.07 0.00 -1.10 0.00 0.00 62.75 61.47 1tm9 n ILE 53 Cb 0.59 -0.69 0.40 0.00 -0.84 0.00 0.00 39.64 39.10 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 -2.48 2.77 -0.00 9.51 -2.24 -1.24 -4.52 114.28 116.07 1tm9 n THR 54 Ca -0.21 -1.44 -0.09 0.00 -2.27 0.00 0.00 64.05 60.04 1tm9 n THR 54 Cb 0.90 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1tm9 n THR 54 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1tm9 h LYS 55 N 3.87 -0.15 -7.14 -0.78 2.10 -1.78 -3.41 116.57 109.28 1tm9 h LYS 55 Ca 0.01 0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 58.18 1tm9 h LYS 55 Cb 1.98 0.03 0.05 0.00 -0.90 0.00 0.00 32.23 33.40 1tm9 h LYS 55 CO 0.49 -0.10 0.39 -0.51 -2.00 0.00 0.00 179.45 177.72 1tm9 s ASP 56 N -5.08 5.99 0.34 7.07 1.01 -1.26 -4.94 116.67 119.80 1tm9 s ASP 56 Ca -0.14 1.89 0.17 0.00 0.71 0.00 0.00 52.55 55.18 1tm9 s ASP 56 Cb 0.10 -2.55 0.50 0.00 1.01 0.00 0.00 42.92 41.98 1tm9 s ASP 56 CO 0.68 -1.02 1.65 1.05 0.21 0.00 0.00 175.17 177.73 1tm9 h GLU 57 N 0.94 0.00 -0.37 8.23 9.09 -1.98 -2.95 114.58 127.54 1tm9 h GLU 57 Ca -0.48 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 58.79 1tm9 h GLU 57 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 1tm9 h GLU 57 CO 0.58 0.43 -0.32 -0.91 0.05 0.00 0.00 179.01 178.84 1tm9 h ASN 58 N 0.00 0.93 -0.41 3.06 2.35 -1.93 -2.41 115.58 117.17 1tm9 h ASN 58 Ca -0.00 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1tm9 h ASN 58 Cb 1.05 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1tm9 h ASN 58 CO 0.06 1.19 0.22 1.56 -1.65 0.00 0.00 177.43 178.81 1tm9 h GLN 59 N 0.68 0.57 -0.46 0.81 7.50 -1.84 -1.03 115.11 121.34 1tm9 h GLN 59 Ca 0.07 -0.07 0.05 0.00 0.50 0.00 0.00 58.65 59.19 1tm9 h GLN 59 Cb 0.91 -0.11 -0.05 0.00 0.05 0.00 0.00 27.48 28.28 1tm9 h GLN 59 CO 0.08 0.47 0.20 1.96 -1.50 0.00 0.00 178.83 180.04 1tm9 h GLN 60 N 0.53 0.38 0.77 1.46 4.20 -1.44 0.95 115.11 121.96 1tm9 h GLN 60 Ca 0.14 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1tm9 h GLN 60 Cb 0.06 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1tm9 h GLN 60 CO -0.02 0.25 -0.48 0.82 -0.67 0.00 0.00 178.83 178.73 1tm9 h ILE 61 N 0.39 0.04 -0.17 2.54 2.04 -1.10 0.21 117.51 121.46 1tm9 h ILE 61 Ca 0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 1tm9 h ILE 61 Cb 0.16 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1tm9 h ILE 61 CO -0.18 0.00 0.13 -0.08 0.00 0.00 0.00 178.15 178.02 1tm9 h GLU 62 N -1.18 0.00 -0.17 2.37 4.81 -0.92 -1.03 114.58 118.46 1tm9 h GLU 62 Ca -0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1tm9 h GLU 62 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1tm9 h GLU 62 CO 0.10 0.00 -0.02 0.82 -0.73 0.00 0.00 179.01 179.18 1tm9 h ILE 63 N 0.00 1.27 0.01 2.32 2.04 0.18 0.28 117.51 123.61 1tm9 h ILE 63 Ca 0.08 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1tm9 h ILE 63 Cb 0.34 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1tm9 h ILE 63 CO -0.00 0.28 -0.42 0.74 0.00 0.00 0.00 178.15 178.75 1tm9 h THR 64 N 0.04 0.15 -0.82 -0.27 2.02 0.74 0.81 112.91 115.59 1tm9 h THR 64 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1tm9 h THR 64 Cb 0.43 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1tm9 h THR 64 CO 0.01 0.00 0.38 0.50 0.37 0.00 0.00 175.52 176.79 1tm9 h LYS 65 N -0.58 1.19 -0.72 6.66 3.11 -1.48 -2.08 116.57 122.68 1tm9 h LYS 65 Ca 0.04 -0.18 0.06 0.00 -2.81 0.00 0.00 60.65 57.76 1tm9 h LYS 65 Cb 0.66 -0.21 -0.06 0.00 -1.00 0.00 0.00 32.23 31.62 1tm9 h LYS 65 CO -0.31 0.93 0.41 0.82 -2.81 0.00 0.00 179.45 178.49 1tm9 h ILE 66 N 1.17 0.98 -0.63 2.00 2.04 0.69 0.16 117.51 123.93 1tm9 h ILE 66 Ca 0.28 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1tm9 h ILE 66 Cb 0.14 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1tm9 h ILE 66 CO -0.03 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.62 1tm9 h ALA 67 N 1.37 0.82 -0.82 1.87 0.00 0.13 -1.27 119.26 121.36 1tm9 h ALA 67 Ca 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1tm9 h ALA 67 Cb 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1tm9 h ALA 67 CO -0.19 0.09 0.34 0.28 0.00 0.00 0.00 179.25 179.77 1tm9 h VAL 68 N 0.71 1.26 -1.73 0.00 2.07 -0.66 -1.99 116.25 115.91 1tm9 h VAL 68 Ca 0.26 -0.80 0.52 0.00 0.82 0.00 0.00 66.70 67.50 1tm9 h VAL 68 Cb 0.08 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1tm9 h VAL 68 CO -0.13 0.33 1.23 -3.20 0.02 0.00 0.00 177.57 175.82 1tm9 n ASN 69 N -4.28 0.04 -0.06 0.57 2.85 0.43 0.16 115.26 114.98 1tm9 n ASN 69 Ca 0.08 1.00 -0.04 0.00 -0.11 0.00 0.00 54.58 55.50 1tm9 n ASN 69 Cb 0.18 -0.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.68 1tm9 n ASN 69 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1tm9 n ASN 70 N -3.95 1.35 -0.33 1.20 2.85 -0.79 -3.88 115.26 111.70 1tm9 n ASN 70 Ca 0.41 0.43 0.27 0.00 -0.11 0.00 0.00 54.58 55.58 1tm9 n ASN 70 Cb 1.80 -0.74 0.51 0.00 1.24 0.00 0.00 39.78 42.60 1tm9 n ASN 70 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1tm9 h ILE 71 N -0.73 0.01 -0.07 -1.44 5.03 -0.52 2.04 117.51 121.84 1tm9 h ILE 71 Ca 0.00 -0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.77 1tm9 h ILE 71 Cb 0.50 -0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.25 1tm9 h ILE 71 CO 0.00 0.00 -0.12 0.11 -0.68 0.00 0.00 178.15 177.46 1tm9 h LYS 72 N 0.01 -0.17 -0.04 2.37 1.79 0.14 -1.36 116.57 119.32 1tm9 h LYS 72 Ca 0.79 0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 59.10 1tm9 h LYS 72 Cb 1.98 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.66 1tm9 h LYS 72 CO -0.81 -0.11 -0.73 1.15 -1.08 0.00 0.00 179.45 177.87 1tm9 h THR 73 N -0.18 1.43 0.00 -0.16 2.02 0.18 -2.73 112.91 113.48 1tm9 h THR 73 Ca 0.07 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1tm9 h THR 73 Cb 0.27 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1tm9 h THR 73 CO -0.17 0.66 0.01 -0.07 0.37 0.00 0.00 175.52 176.32 1tm9 h LEU 74 N 0.15 0.00 -4.00 2.58 3.38 0.32 -2.75 115.31 115.00 1tm9 h LEU 74 Ca -0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 1tm9 h LEU 74 Cb 1.29 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 1tm9 h LEU 74 CO 0.11 0.00 -0.03 -1.20 0.09 0.00 0.00 178.44 177.41 1tm9 n SER 75 N -2.38 5.74 0.09 -0.43 7.64 -0.58 -4.00 113.62 119.70 1tm9 n SER 75 Ca -0.02 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1tm9 n SER 75 Cb 0.05 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 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 1.69 -1.65 -3.87 6.43 7.64 -1.04 -5.06 113.62 117.77 1tm9 n SER 76 Ca 0.39 0.53 -0.31 0.00 1.01 0.00 0.00 58.87 60.49 1tm9 n SER 76 Cb 0.73 1.77 0.01 0.00 -1.01 0.00 0.00 64.21 65.70 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 -2.92 -2.90 -3.85 0.44 0.31 -1.22 -4.29 118.33 103.89 1tm9 n VAL 77 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1tm9 n VAL 77 Cb 0.00 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.38 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 -1.76 0.29 1.09 2.92 0.00 -1.26 -4.61 105.19 101.86 1tm9 n GLY 78 Ca -0.25 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1tm9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tm9 n ALA 79 N 7.48 2.97 -2.53 4.61 0.00 -1.26 -5.08 120.51 126.70 1tm9 n ALA 79 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1tm9 n ALA 79 Cb 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 1tm9 n ALA 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tm9 s THR 80 N -2.00 4.48 0.00 0.00 -4.23 -1.26 -4.98 115.64 107.65 1tm9 s THR 80 Ca 0.00 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1tm9 s THR 80 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1tm9 s THR 80 CO 0.00 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1tm9 n GLY 81 N -1.81 0.23 2.26 3.99 0.00 -1.26 -4.83 105.19 103.76 1tm9 n GLY 81 Ca -0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.50 0.36 -2.57 1.61 7.27 -1.26 -4.95 117.38 117.35 1tm9 n GLN 82 Ca 0.00 -0.62 -0.42 0.00 0.07 0.00 0.00 57.00 56.04 1tm9 n GLN 82 Cb 0.00 0.05 -0.02 0.00 2.41 0.00 0.00 30.24 32.68 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1tm9 s TYR 83 N 0.05 2.63 0.30 3.69 1.51 -1.26 -4.79 117.35 119.47 1tm9 s TYR 83 Ca 0.04 -1.13 0.24 0.00 -1.01 0.00 0.00 57.07 55.21 1tm9 s TYR 83 Cb 0.12 -4.72 1.31 0.00 -0.11 0.00 0.00 41.96 38.57 1tm9 s TYR 83 CO -0.03 -1.89 1.70 1.98 -1.11 0.00 0.00 175.55 176.20 1tm9 h MET 84 N 8.98 0.00 -0.27 -0.62 1.85 -1.96 0.12 114.93 123.04 1tm9 h MET 84 Ca 0.29 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.33 1tm9 h MET 84 Cb 0.96 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.98 1tm9 h MET 84 CO 1.44 0.00 -0.04 0.00 -0.40 0.00 0.00 176.91 177.91 1tm9 h ALA 85 N 1.46 0.36 0.19 0.39 0.00 -1.97 -1.86 119.26 117.83 1tm9 h ALA 85 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1tm9 h ALA 85 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1tm9 h ALA 85 CO 0.00 0.15 -0.14 0.77 0.00 0.00 0.00 179.25 180.03 1tm9 h SER 86 N 0.26 -0.34 -0.06 0.00 0.02 -1.17 -0.59 113.55 111.67 1tm9 h SER 86 Ca 0.07 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1tm9 h SER 86 Cb 0.49 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1tm9 h SER 86 CO 0.02 -0.21 0.12 0.15 -1.14 0.00 0.00 176.83 175.77 1tm9 h PHE 87 N -0.33 0.00 0.00 3.45 3.04 -1.51 0.41 116.94 122.01 1tm9 h PHE 87 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1tm9 h PHE 87 Cb 0.29 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1tm9 h PHE 87 CO -0.10 0.00 -0.52 0.35 -2.02 0.00 0.00 178.31 176.01 1tm9 h PHE 88 N 0.00 0.00 0.00 0.41 3.04 -0.32 -2.98 116.94 117.09 1tm9 h PHE 88 Ca 0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1tm9 h PHE 88 Cb 0.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1tm9 h PHE 88 CO 0.00 0.00 -0.02 0.77 -2.02 0.00 0.00 178.31 177.04 1tm9 h SER 89 N 0.00 0.01 0.03 0.41 0.02 0.13 -3.39 113.55 110.76 1tm9 h SER 89 Ca 0.00 -0.94 -0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1tm9 h SER 89 Cb 0.80 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1tm9 h SER 89 CO 0.00 0.95 -0.01 0.71 -1.14 0.00 0.00 176.83 177.34 1tm9 h THR 90 N -0.92 0.00 -2.17 -2.27 1.35 -1.59 -3.39 112.91 103.92 1tm9 h THR 90 Ca -0.00 -0.02 -0.54 0.00 -0.55 0.00 0.00 66.41 65.29 1tm9 h THR 90 Cb 0.96 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.30 1tm9 h THR 90 CO 0.00 0.00 1.13 0.20 -0.25 0.00 0.00 175.52 176.60 1tm9 s ASN 91 N -2.57 6.13 -0.07 5.36 -0.87 -1.13 -4.79 114.94 117.00 1tm9 s ASN 91 Ca -0.01 -0.51 -0.04 0.00 -1.57 0.00 0.00 52.86 50.73 1tm9 s ASN 91 Cb 0.00 -2.56 -0.27 0.00 -0.02 0.00 0.00 41.25 38.40 1tm9 s ASN 91 CO 0.02 -1.85 0.57 -1.28 -2.57 0.00 0.00 177.10 171.99 1tm9 h SER 92 N 10.37 0.38 -0.64 -1.22 0.87 -1.78 -2.95 113.55 118.58 1tm9 h SER 92 Ca -0.22 -0.71 0.13 0.00 -1.23 0.00 0.00 61.79 59.76 1tm9 h SER 92 Cb 1.05 -0.12 -0.12 0.00 -0.44 0.00 0.00 62.40 62.77 1tm9 h SER 92 CO 1.29 1.62 -0.19 -0.33 -0.53 0.00 0.00 176.83 178.70 1tm9 h GLU 93 N 0.07 -0.02 -0.00 2.24 5.08 -1.93 1.03 114.58 121.03 1tm9 h GLU 93 Ca -0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1tm9 h GLU 93 Cb 2.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1tm9 h GLU 93 CO 0.12 -0.02 -0.06 -1.00 -1.00 0.00 0.00 179.01 177.06 1tm9 h PRO 94 N -0.03 0.04 -0.97 2.33 0.13 -1.97 -2.85 132.00 128.69 1tm9 h PRO 94 Ca 0.30 -0.04 0.24 0.00 -0.87 0.00 0.00 66.00 65.63 1tm9 h PRO 94 Cb 0.49 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.56 1tm9 h PRO 94 CO -0.67 0.78 0.65 0.00 -0.23 0.00 0.00 178.00 178.53 1tm9 h ALA 95 N 0.26 2.39 0.62 -0.56 0.00 -1.22 0.44 119.26 121.19 1tm9 h ALA 95 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1tm9 h ALA 95 Cb 0.80 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1tm9 h ALA 95 CO 0.01 -0.71 -0.30 0.82 0.00 0.00 0.00 179.25 179.08 1tm9 h ILE 96 N 0.31 0.12 -0.38 0.00 2.04 0.11 1.00 117.51 120.70 1tm9 h ILE 96 Ca 0.51 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1tm9 h ILE 96 Cb 1.44 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 1tm9 h ILE 96 CO -0.17 0.02 -0.12 0.40 0.00 0.00 0.00 178.15 178.28 1tm9 h ILE 97 N -1.16 0.57 0.43 -0.67 5.03 -0.88 0.12 117.51 120.95 1tm9 h ILE 97 Ca -0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.65 1tm9 h ILE 97 Cb 0.67 0.57 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 1tm9 h ILE 97 CO 0.14 0.00 -0.50 0.15 -0.68 0.00 0.00 178.15 177.26 1tm9 h PHE 98 N -0.03 -1.39 -0.46 1.37 3.57 -0.20 0.50 116.94 120.30 1tm9 h PHE 98 Ca 0.19 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1tm9 h PHE 98 Cb 0.31 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 39.51 1tm9 h PHE 98 CO -0.36 -0.65 -0.43 0.00 -2.23 0.00 0.00 178.31 174.64 1tm9 h VAL 100 N -0.30 0.45 -0.15 0.00 2.07 -0.41 1.40 116.25 119.31 1tm9 h VAL 100 Ca 0.15 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1tm9 h VAL 100 Cb 0.58 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1tm9 h VAL 100 CO -0.61 0.07 -0.19 0.40 0.02 0.00 0.00 177.57 177.27 1tm9 h ILE 101 N 0.41 1.35 0.42 4.57 1.08 0.26 -2.54 117.51 123.06 1tm9 h ILE 101 Ca 0.60 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 1tm9 h ILE 101 Cb 1.19 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1tm9 h ILE 101 CO -0.54 0.41 -0.21 0.22 -0.69 0.00 0.00 178.15 177.34 1tm9 h TYR 102 N 0.01 -0.54 -0.67 1.37 3.20 0.61 -1.96 116.97 118.99 1tm9 h TYR 102 Ca 0.02 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.02 1tm9 h TYR 102 Cb 0.75 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.09 1tm9 h TYR 102 CO 0.09 -0.33 0.11 0.74 -1.64 0.00 0.00 178.16 177.12 1tm9 h PHE 103 N -0.57 0.15 0.00 -3.82 -1.00 0.16 -0.14 116.94 111.71 1tm9 h PHE 103 Ca -0.06 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1tm9 h PHE 103 Cb 0.44 0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1tm9 h PHE 103 CO -0.05 -0.10 0.00 1.28 -1.61 0.00 0.00 178.31 177.82 1tm9 n LEU 104 N -5.19 0.00 -0.20 1.54 4.77 -0.96 -0.36 117.00 116.60 1tm9 n LEU 104 Ca 0.11 0.78 -0.05 0.00 -0.03 0.00 0.00 56.01 56.82 1tm9 n LEU 104 Cb 0.40 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1tm9 n LEU 104 CO 0.13 -0.28 0.41 -1.22 -1.33 0.00 0.00 177.39 175.10 1tm9 n TYR 105 N -1.50 -0.21 -0.07 -1.77 4.01 -0.76 0.20 117.16 117.07 1tm9 n TYR 105 Ca 0.00 0.60 -0.04 0.00 -0.16 0.00 0.00 57.90 58.30 1tm9 n TYR 105 Cb 0.00 -0.50 -0.03 0.00 -0.31 0.00 0.00 39.34 38.49 1tm9 n TYR 105 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1tm9 h HIS 106 N 0.00 -0.55 -0.21 -0.72 3.86 -1.03 -2.01 115.15 114.49 1tm9 h HIS 106 Ca 0.08 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1tm9 h HIS 106 Cb 0.20 0.26 -0.07 0.00 1.06 0.00 0.00 27.41 28.86 1tm9 h HIS 106 CO -0.84 -0.15 -0.39 0.74 0.86 0.00 0.00 177.93 178.16 1tm9 h PHE 107 N -0.10 -1.12 0.00 2.45 -1.00 0.88 -3.47 116.94 114.58 1tm9 h PHE 107 Ca 0.03 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1tm9 h PHE 107 Cb 0.17 0.52 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1tm9 h PHE 107 CO -0.72 -0.45 0.00 0.41 -1.61 0.00 0.00 178.31 175.95 1tm9 n GLY 108 N -1.43 2.20 1.93 -1.45 0.00 0.54 -4.92 105.19 102.08 1tm9 n GLY 108 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.77 -0.99 1.61 3.72 -1.22 -4.95 117.46 111.87 1tm9 n PHE 109 Ca 0.00 0.98 -0.34 0.00 -0.05 0.00 0.00 57.45 58.04 1tm9 n PHE 109 Cb 0.00 2.63 0.11 0.00 -0.94 0.00 0.00 39.48 41.27 1tm9 n PHE 109 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1tm9 n LEU 110 N -3.07 0.81 -4.67 4.37 4.77 -1.26 -4.94 117.00 113.01 1tm9 n LEU 110 Ca 0.00 0.45 -0.38 0.00 -0.03 0.00 0.00 56.01 56.05 1tm9 n LEU 110 Cb 0.00 -1.26 -0.08 0.00 -2.33 0.00 0.00 43.42 39.76 1tm9 n LEU 110 CO 0.00 -3.18 0.07 -0.75 -1.33 0.00 0.00 177.39 172.20 1tm9 s LYS 111 N -3.43 4.17 -0.47 3.23 2.20 -1.26 -4.88 119.74 119.29 1tm9 s LYS 111 Ca 0.62 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 56.42 1tm9 s LYS 111 Cb -0.27 -3.53 0.21 0.00 -1.51 0.00 0.00 37.83 32.73 1tm9 s LYS 111 CO 0.62 -0.02 0.85 -3.47 -0.36 0.00 0.00 175.35 172.97 1tm9 n ASP 112 N 4.42 -2.88 -4.00 1.43 2.03 -1.26 -4.98 116.55 111.31 1tm9 n ASP 112 Ca -0.09 -2.54 -0.31 0.00 0.52 0.00 0.00 54.79 52.37 1tm9 n ASP 112 Cb 0.51 1.52 -0.15 0.00 -0.72 0.00 0.00 41.12 42.28 1tm9 n ASP 112 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1tm9 s ASN 113 N 0.43 4.17 0.27 1.67 2.47 -1.26 -4.95 114.94 117.74 1tm9 s ASN 113 Ca 0.29 -1.31 -0.10 0.00 0.42 0.00 0.00 52.86 52.16 1tm9 s ASN 113 Cb 0.07 -1.37 -0.00 0.00 -1.45 0.00 0.00 41.25 38.50 1tm9 s ASN 113 CO -0.09 -0.22 0.46 0.21 -3.72 0.00 0.00 177.10 173.74 1tm9 s ASN 114 N 1.24 0.12 0.18 -4.21 2.47 -1.26 -5.05 114.94 108.43 1tm9 s ASN 114 Ca -0.07 -1.08 -0.25 0.00 0.42 0.00 0.00 52.86 51.88 1tm9 s ASN 114 Cb -0.19 0.59 0.06 0.00 -1.45 0.00 0.00 41.25 40.26 1tm9 s ASN 114 CO -0.06 -1.17 1.56 0.11 -3.72 0.00 0.00 177.10 173.82 1tm9 h LYS 115 N 2.25 -0.13 -6.20 0.43 1.57 -2.09 -3.41 116.57 108.99 1tm9 h LYS 115 Ca -0.28 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 57.94 1tm9 h LYS 115 Cb 1.25 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.40 1tm9 h LYS 115 CO 0.38 -0.09 -0.80 0.21 -0.57 0.00 0.00 179.45 178.58 1tm9 s LYS 116 N -5.80 1.34 0.93 3.15 2.20 -1.26 -5.12 119.74 115.17 1tm9 s LYS 116 Ca -0.14 -1.42 -0.12 0.00 -0.36 0.00 0.00 55.97 53.94 1tm9 s LYS 116 Cb 0.14 -1.52 0.07 0.00 -1.51 0.00 0.00 37.83 35.02 1tm9 s LYS 116 CO 0.66 0.32 0.69 1.04 -0.36 0.00 0.00 175.35 177.70 1tm9 n GLN 117 N 0.39 -0.30 0.00 4.03 3.00 -1.26 -5.01 117.38 118.22 1tm9 n GLN 117 Ca -0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1tm9 n GLN 117 Cb 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.75 1tm9 n GLN 117 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1tm9 n ILE 118 N -3.76 0.00 0.42 5.09 3.06 -1.26 -4.79 119.36 118.13 1tm9 n ILE 118 Ca 0.09 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.16 1tm9 n ILE 118 Cb 0.53 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.62 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 0.12 -1.60 9.51 1.08 -1.95 -2.11 117.51 122.56 1tm9 h ILE 119 Ca 0.00 -0.14 0.47 0.00 -0.39 0.00 0.00 64.86 64.80 1tm9 h ILE 119 Cb 0.00 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 33.81 1tm9 h ILE 119 CO 0.00 0.01 1.13 0.50 -0.69 0.00 0.00 178.15 179.10 1tm9 h LYS 120 N -1.19 0.03 0.58 2.37 3.64 -1.97 0.77 116.57 120.80 1tm9 h LYS 120 Ca -0.11 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1tm9 h LYS 120 Cb 0.83 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1tm9 h LYS 120 CO 0.18 0.02 -0.28 -0.22 -2.27 0.00 0.00 179.45 176.88 1tm9 h LYS 121 N 0.03 -0.75 0.48 1.90 3.11 -1.70 -1.95 116.57 117.68 1tm9 h LYS 121 Ca 0.80 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.67 1tm9 h LYS 121 Cb 3.06 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 34.46 1tm9 h LYS 121 CO -0.10 -0.45 -0.23 0.00 -2.81 0.00 0.00 179.45 175.87 1tm9 h ALA 122 N -0.87 -0.98 -1.39 5.00 0.00 0.67 0.57 119.26 122.26 1tm9 h ALA 122 Ca -0.08 -0.14 0.45 0.00 0.00 0.00 0.00 54.91 55.14 1tm9 h ALA 122 Cb 0.66 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1tm9 h ALA 122 CO 0.13 -0.94 0.94 0.66 0.00 0.00 0.00 179.25 180.05 1tm9 n TYR 123 N -4.04 0.42 0.03 0.00 4.02 0.17 0.21 117.16 117.96 1tm9 n TYR 123 Ca -0.08 0.42 -0.22 0.00 -0.01 0.00 0.00 57.90 58.01 1tm9 n TYR 123 Cb 0.25 -0.85 -0.14 0.00 -0.02 0.00 0.00 39.34 38.58 1tm9 n TYR 123 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1tm9 h GLU 124 N 0.00 0.29 -0.15 -0.72 5.08 -1.08 -2.64 114.58 115.36 1tm9 h GLU 124 Ca 0.80 -0.49 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1tm9 h GLU 124 Cb 2.78 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 32.21 1tm9 h GLU 124 CO -0.28 1.24 0.47 0.00 -1.00 0.00 0.00 179.01 179.44 1tm9 h THR 125 N -0.19 0.10 0.00 1.13 1.03 0.80 0.87 112.91 116.65 1tm9 h THR 125 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 1tm9 h THR 125 Cb 1.85 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1tm9 h THR 125 CO 0.10 0.00 -0.59 -0.38 -0.01 0.00 0.00 175.52 174.64 1tm9 n ILE 126 N -3.08 1.11 -0.68 0.00 5.41 -0.36 -2.18 119.36 119.58 1tm9 n ILE 126 Ca 0.02 0.25 0.52 0.00 1.00 0.00 0.00 62.75 64.54 1tm9 n ILE 126 Cb 0.56 -2.16 0.79 0.00 -0.71 0.00 0.00 39.64 38.12 1tm9 n ILE 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tm9 n ALA 127 N -3.68 1.83 -0.04 -1.39 0.00 -0.91 0.20 120.51 116.52 1tm9 n ALA 127 Ca -0.08 0.63 -0.03 0.00 0.00 0.00 0.00 53.44 53.96 1tm9 n ALA 127 Cb 0.31 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 1tm9 n ALA 127 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1tm9 n ASP 128 N -3.86 1.11 -0.31 0.00 2.03 0.25 -3.53 116.55 112.24 1tm9 n ASP 128 Ca 0.43 0.49 0.17 0.00 0.52 0.00 0.00 54.79 56.40 1tm9 n ASP 128 Cb 1.98 -0.73 0.36 0.00 -0.72 0.00 0.00 41.12 42.01 1tm9 n ASP 128 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1tm9 h ASN 129 N -0.62 0.04 -0.87 1.67 4.21 -0.43 1.66 115.58 121.25 1tm9 h ASN 129 Ca 0.00 0.22 0.06 0.00 1.21 0.00 0.00 56.30 57.79 1tm9 h ASN 129 Cb 0.31 0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.74 1tm9 h ASN 129 CO 0.00 -0.22 0.54 -0.29 -1.29 0.00 0.00 177.43 176.17 1tm9 h ILE 130 N 0.17 1.06 0.00 2.81 2.10 0.21 0.55 117.51 124.41 1tm9 h ILE 130 Ca 0.63 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 66.22 1tm9 h ILE 130 Cb 1.36 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1tm9 h ILE 130 CO -0.71 0.18 0.00 0.00 -1.08 0.00 0.00 178.15 176.54 1tm9 n ALA 131 N -2.35 1.38 -0.01 0.18 0.00 0.56 -1.75 120.51 118.51 1tm9 n ALA 131 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1tm9 n ALA 131 Cb 0.16 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 0.49 -0.02 0.00 3.58 0.93 -3.10 116.42 118.30 1tm9 h ASP 132 Ca 0.00 -0.73 -0.08 0.00 0.42 0.00 0.00 57.03 56.65 1tm9 h ASP 132 Cb 0.15 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1tm9 h ASP 132 CO 0.00 1.15 -0.28 1.88 -2.88 0.00 0.00 179.24 179.11 1tm9 h TYR 133 N -0.12 0.33 0.00 0.28 0.05 -1.26 -3.35 116.97 112.89 1tm9 h TYR 133 Ca -0.06 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1tm9 h TYR 133 Cb 1.20 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1tm9 h TYR 133 CO 0.14 0.93 0.00 1.28 -1.05 0.00 0.00 178.16 179.46 1tm9 n LEU 134 N -4.48 0.00 0.00 3.88 4.77 -0.75 -4.95 117.00 115.47 1tm9 n LEU 134 Ca -0.09 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1tm9 n LEU 134 Cb 0.50 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1tm9 n LEU 134 CO 0.40 -0.46 0.00 0.59 -1.33 0.00 0.00 177.39 176.59 1tm9 n ASN 135 N -2.66 0.00 -2.80 -1.43 3.02 -1.17 -5.04 115.26 105.17 1tm9 n ASN 135 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1tm9 n ASN 135 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1tm9 s GLU 136 N 0.00 0.76 0.00 3.52 2.12 -1.26 -4.80 118.70 119.04 1tm9 s GLU 136 Ca 0.00 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1tm9 s GLU 136 Cb 0.00 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1tm9 s GLU 136 CO 0.00 -0.96 0.00 -1.71 -0.54 0.00 0.00 175.26 172.05