#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 2.40 -0.39 0.03 -6.30 -1.26 -5.06 118.70 108.11 1tm9 s GLU 2 Ca 0.00 -1.63 0.09 0.00 -2.50 0.00 0.00 54.97 50.93 1tm9 s GLU 2 Cb 0.00 -2.57 0.27 0.00 0.00 0.00 0.00 34.13 31.83 1tm9 s GLU 2 CO 0.00 -0.68 0.59 1.04 0.02 0.00 0.00 175.26 176.23 1tm9 n GLN 3 N -2.06 0.77 0.02 4.30 3.00 -1.26 -4.85 117.38 117.29 1tm9 n GLN 3 Ca 0.11 -3.16 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 1tm9 n GLN 3 Cb 0.62 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.53 1tm9 n GLN 3 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1tm9 n ASN 4 N 1.18 0.13 0.00 1.08 2.85 -1.26 -5.06 115.26 114.18 1tm9 n ASN 4 Ca 0.21 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1tm9 n ASN 4 Cb 0.56 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.57 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1tm9 n ASN 5 N -2.70 0.00 0.17 1.20 4.13 -1.26 -4.94 115.26 111.86 1tm9 n ASN 5 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 1tm9 n ASN 5 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 1tm9 n ASN 5 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1tm9 h ILE 6 N 0.00 0.74 -0.25 2.41 1.08 -2.00 0.53 117.51 120.02 1tm9 h ILE 6 Ca 0.00 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 64.29 1tm9 h ILE 6 Cb 0.00 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 1tm9 h ILE 6 CO 0.00 0.05 -0.08 0.50 -0.69 0.00 0.00 178.15 177.93 1tm9 h LYS 7 N -0.51 -0.02 -0.78 2.37 3.11 -2.01 -1.16 116.57 117.58 1tm9 h LYS 7 Ca -0.04 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1tm9 h LYS 7 Cb 0.38 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.57 1tm9 h LYS 7 CO 0.07 -0.01 0.51 1.49 -2.81 0.00 0.00 179.45 178.69 1tm9 h GLU 8 N -0.02 0.98 -0.99 1.90 4.81 -1.85 -1.51 114.58 117.90 1tm9 h GLU 8 Ca 0.13 -0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.48 1tm9 h GLU 8 Cb 0.21 -0.22 -0.10 0.00 0.63 0.00 0.00 28.75 29.27 1tm9 h GLU 8 CO -0.27 0.65 0.61 1.96 -0.73 0.00 0.00 179.01 181.23 1tm9 h GLN 9 N 1.01 0.69 0.53 1.92 4.20 0.13 -1.32 115.11 122.27 1tm9 h GLN 9 Ca 0.30 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 1tm9 h GLN 9 Cb -0.06 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.57 1tm9 h GLN 9 CO -0.09 0.46 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.21 1tm9 h LEU 10 N 0.71 -0.60 0.00 1.46 3.38 -0.51 -2.67 115.31 117.09 1tm9 h LEU 10 Ca 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1tm9 h LEU 10 Cb 0.92 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1tm9 h LEU 10 CO -0.33 -0.28 0.00 -0.38 0.09 0.00 0.00 178.44 177.55 1tm9 n ILE 11 N -5.31 0.00 0.00 1.22 -0.00 -0.56 0.02 119.36 114.74 1tm9 n ILE 11 Ca -0.11 1.36 0.00 0.00 -0.00 0.00 0.00 62.75 64.00 1tm9 n ILE 11 Cb 0.32 -1.86 0.00 0.00 -0.00 0.00 0.00 39.64 38.10 1tm9 n ILE 11 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1tm9 n SER 12 N -2.45 0.00 0.00 4.38 2.88 -0.85 0.17 113.62 117.75 1tm9 n SER 12 Ca 0.00 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1tm9 n SER 12 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.45 0.00 -0.32 0.66 3.72 -0.88 -0.22 117.46 117.97 1tm9 n PHE 13 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1tm9 n PHE 13 Cb 0.00 -0.28 0.37 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.42 -0.94 1.38 3.57 0.14 1.61 116.94 123.13 1tm9 h PHE 14 Ca 0.00 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.69 1tm9 h PHE 14 Cb 0.00 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 1tm9 h PHE 14 CO -0.53 -0.31 0.60 -0.91 -2.23 0.00 0.00 178.31 174.93 1tm9 h ASN 15 N 0.14 0.75 0.13 0.41 4.21 0.49 1.28 115.58 122.99 1tm9 h ASN 15 Ca 0.65 0.05 0.00 0.00 1.21 0.00 0.00 56.30 58.20 1tm9 h ASN 15 Cb 1.43 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.53 1tm9 h ASN 15 CO -0.74 0.38 0.00 0.00 -1.29 0.00 0.00 177.43 175.78 1tm9 n GLN 16 N -4.59 0.58 0.00 0.81 6.02 0.55 -3.76 117.38 116.99 1tm9 n GLN 16 Ca 0.18 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1tm9 n GLN 16 Cb 0.44 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tm9 n ALA 17 N -1.09 0.65 -3.74 -1.58 0.00 0.42 -4.85 120.51 110.32 1tm9 n ALA 17 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.23 1tm9 n ALA 17 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 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 3.67 1.86 -3.53 0.00 7.64 -1.25 -4.64 113.62 117.37 1tm9 n SER 19 Ca 0.06 0.50 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 1tm9 n SER 19 Cb 0.38 -0.87 0.02 0.00 -1.01 0.00 0.00 64.21 62.74 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 -4.50 0.00 -0.08 0.44 -2.24 -1.26 -4.94 114.28 101.70 1tm9 n THR 20 Ca -0.20 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 61.07 1tm9 n THR 20 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.76 0.66 -0.36 4.78 8.25 -1.26 -4.21 115.22 121.32 1tm9 n HIS 21 Ca 0.02 0.29 0.04 0.00 -0.26 0.00 0.00 57.72 57.81 1tm9 n HIS 21 Cb 0.45 -0.74 0.11 0.00 1.12 0.00 0.00 29.99 30.92 1tm9 n HIS 21 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1tm9 h GLN 22 N -1.00 -0.00 -0.96 -0.41 4.20 -1.96 1.40 115.11 116.38 1tm9 h GLN 22 Ca -0.06 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.92 1tm9 h GLN 22 Cb 0.75 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.40 1tm9 h GLN 22 CO -0.04 -0.00 0.47 0.93 -0.67 0.00 0.00 178.83 179.52 1tm9 h GLU 23 N -0.00 0.34 -0.66 1.46 4.39 -1.96 0.53 114.58 118.68 1tm9 h GLU 23 Ca 0.44 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.23 1tm9 h GLU 23 Cb 0.69 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.17 1tm9 h GLU 23 CO -1.01 0.23 0.22 -0.09 -1.16 0.00 0.00 179.01 177.19 1tm9 h ARG 24 N 0.35 0.36 0.00 2.33 2.43 0.17 1.21 114.38 121.23 1tm9 h ARG 24 Ca 0.65 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.75 1tm9 h ARG 24 Cb 1.38 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1tm9 h ARG 24 CO -0.59 0.24 -0.22 -0.07 -1.51 0.00 0.00 179.97 177.82 1tm9 h LEU 25 N 0.37 0.00 0.00 3.80 3.38 0.12 0.50 115.31 123.48 1tm9 h LEU 25 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1tm9 h LEU 25 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1tm9 h LEU 25 CO -0.38 0.22 -0.35 0.44 0.09 0.00 0.00 178.44 178.47 1tm9 h ASP 26 N 0.00 0.00 0.00 -0.43 5.19 0.55 -3.34 116.42 118.39 1tm9 h ASP 26 Ca -0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1tm9 h ASP 26 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1tm9 h ASP 26 CO 0.03 0.04 -0.13 -0.26 -3.12 0.00 0.00 179.24 175.80 1tm9 h PHE 27 N 0.00 0.00 -1.94 4.55 0.04 0.31 0.62 116.94 120.52 1tm9 h PHE 27 Ca 0.00 0.00 0.56 0.00 2.80 0.00 0.00 57.97 61.33 1tm9 h PHE 27 Cb 0.79 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.87 1tm9 h PHE 27 CO 0.00 0.00 1.40 0.44 -0.60 0.00 0.00 178.31 179.55 1tm9 n ILE 28 N -4.55 -0.00 -0.08 -0.55 -5.35 -0.03 0.22 119.36 109.02 1tm9 n ILE 28 Ca -0.02 1.47 -0.08 0.00 -0.27 0.00 0.00 62.75 63.84 1tm9 n ILE 28 Cb 0.07 -2.45 -0.04 0.00 -1.74 0.00 0.00 39.64 35.49 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 -1.38 0.00 0.00 0.02 0.22 0.60 113.55 112.01 1tm9 h SER 30 Ca -0.08 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1tm9 h SER 30 Cb 0.69 0.55 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1tm9 h SER 30 CO -0.05 -0.46 0.43 0.74 -1.14 0.00 0.00 176.83 176.36 1tm9 h THR 31 N -0.55 0.00 -0.39 -2.27 2.02 0.25 1.14 112.91 113.10 1tm9 h THR 31 Ca 0.05 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.00 1tm9 h THR 31 Cb 0.66 0.56 -0.15 0.00 -1.74 0.00 0.00 68.15 67.48 1tm9 h THR 31 CO -0.37 0.00 -0.18 -1.14 0.37 0.00 0.00 175.52 174.20 1tm9 n ARG 32 N -2.81 2.07 -1.11 6.66 0.00 0.20 -4.50 116.66 117.17 1tm9 n ARG 32 Ca -0.02 -3.35 -0.03 0.00 -0.00 0.00 0.00 57.85 54.46 1tm9 n ARG 32 Cb 0.47 -1.88 -0.01 0.00 0.00 0.00 0.00 32.46 31.04 1tm9 n ARG 32 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1tm9 n GLU 33 N -1.06 0.18 0.00 -0.14 -0.00 0.38 -4.95 120.64 115.05 1tm9 n GLU 33 Ca 0.35 -0.53 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1tm9 n GLU 33 Cb 0.96 0.42 0.00 0.00 -0.00 0.00 0.00 31.44 32.83 1tm9 n GLU 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1tm9 n SER 34 N -0.21 0.00 0.06 -1.84 2.88 -0.35 -4.89 113.62 109.26 1tm9 n SER 34 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1tm9 n SER 34 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.03 -0.00 -3.46 -0.08 -1.26 -4.95 116.55 105.77 1tm9 n ASP 35 Ca 0.00 0.34 0.02 0.00 -1.51 0.00 0.00 54.79 53.64 1tm9 n ASP 35 Cb 0.00 1.20 -0.03 0.00 2.34 0.00 0.00 41.12 44.62 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 -2.71 0.01 0.00 5.18 5.66 -1.26 -5.00 114.28 116.16 1tm9 n THR 36 Ca 0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1tm9 n THR 36 Cb 0.00 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 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 -1.68 0.00 0.97 1.09 3.72 -1.26 -4.59 117.46 115.71 1tm9 n PHE 37 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1tm9 n PHE 37 Cb 0.14 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.17 1tm9 n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1tm9 n SER 38 N 1.51 0.00 -2.57 4.37 3.41 -1.26 -2.62 113.62 116.46 1tm9 n SER 38 Ca 0.00 -0.20 -0.12 0.00 -0.26 0.00 0.00 58.87 58.29 1tm9 n SER 38 Cb 0.00 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1tm9 n SER 38 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1tm9 n SER 39 N -1.18 2.71 0.00 4.04 7.64 -1.26 -4.78 113.62 120.79 1tm9 n SER 39 Ca 0.11 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1tm9 n SER 39 Cb 0.12 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.44 0.00 -0.03 0.44 0.31 -1.08 -4.96 118.33 112.58 1tm9 n VAL 40 Ca 0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1tm9 n VAL 40 Cb 0.81 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.71 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 3.54 -4.77 4.52 -0.08 -1.26 -5.02 116.55 113.49 1tm9 n ASP 41 Ca 0.00 -0.02 -0.40 0.00 -1.51 0.00 0.00 54.79 52.86 1tm9 n ASP 41 Cb 0.00 0.21 -0.02 0.00 2.34 0.00 0.00 41.12 43.65 1tm9 n ASP 41 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1tm9 s VAL 42 N -2.14 2.79 0.34 5.18 0.11 -1.26 -4.98 120.40 120.44 1tm9 s VAL 42 Ca -0.07 0.75 -0.27 0.00 -2.93 0.00 0.00 61.98 59.47 1tm9 s VAL 42 Cb 0.02 -3.46 -0.09 0.00 -1.53 0.00 0.00 36.38 31.32 1tm9 s VAL 42 CO 0.19 0.15 1.07 -2.16 -3.33 0.00 0.00 175.10 171.01 1tm9 s PRO 43 N -1.96 4.41 0.23 1.54 0.04 -1.26 -4.86 135.00 133.14 1tm9 s PRO 43 Ca 0.52 1.65 0.15 0.00 0.04 0.00 0.00 61.00 63.35 1tm9 s PRO 43 Cb -0.38 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1tm9 s PRO 43 CO 0.49 0.05 1.34 -0.07 0.04 0.00 0.00 177.00 178.85 1tm9 h LEU 44 N 3.18 0.00 -0.21 -3.56 3.38 -1.94 -2.86 115.31 113.30 1tm9 h LEU 44 Ca -0.47 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1tm9 h LEU 44 Cb 1.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1tm9 h LEU 44 CO 0.65 0.55 -0.50 -0.33 0.09 0.00 0.00 178.44 178.90 1tm9 h GLU 45 N 0.00 -0.48 -0.02 1.13 5.08 -1.98 1.49 114.58 119.81 1tm9 h GLU 45 Ca -0.03 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1tm9 h GLU 45 Cb 1.44 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1tm9 h GLU 45 CO 0.07 -0.32 -0.26 -1.00 -1.00 0.00 0.00 179.01 176.50 1tm9 h PRO 46 N -0.50 0.20 -0.95 2.33 0.13 -1.89 -3.21 132.00 128.11 1tm9 h PRO 46 Ca 0.07 -0.20 0.19 0.00 -0.87 0.00 0.00 66.00 65.19 1tm9 h PRO 46 Cb 0.65 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.74 1tm9 h PRO 46 CO -0.47 0.90 0.61 0.82 -0.23 0.00 0.00 178.00 179.63 1tm9 h ILE 47 N -0.42 0.70 0.00 -3.56 1.08 -1.32 1.61 117.51 115.61 1tm9 h ILE 47 Ca -0.03 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1tm9 h ILE 47 Cb 0.98 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1tm9 h ILE 47 CO 0.05 0.11 0.00 0.11 -0.69 0.00 0.00 178.15 177.73 1tm9 h LYS 48 N 0.58 0.00 0.09 2.37 1.57 0.21 1.06 116.57 122.45 1tm9 h LYS 48 Ca 0.52 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.98 1tm9 h LYS 48 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1tm9 h LYS 48 CO -0.26 0.00 -1.65 -0.97 -0.57 0.00 0.00 179.45 176.00 1tm9 h ASN 49 N 0.00 0.30 0.48 0.86 -0.00 0.23 -3.28 115.58 114.17 1tm9 h ASN 49 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 56.30 55.81 1tm9 h ASN 49 Cb 0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.30 1tm9 h ASN 49 CO 0.00 1.42 -0.45 2.30 -0.00 0.00 0.00 177.43 180.71 1tm9 n ILE 50 N -3.37 0.00 0.08 2.57 -5.35 0.09 -3.63 119.36 109.75 1tm9 n ILE 50 Ca -0.19 -0.02 -0.06 0.00 -0.27 0.00 0.00 62.75 62.21 1tm9 n ILE 50 Cb 1.04 0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 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 0.17 1.64 -0.34 7.28 2.04 0.97 -3.27 117.51 126.00 1tm9 h ILE 51 Ca 0.00 -3.07 -0.25 0.00 1.00 0.00 0.00 64.86 62.54 1tm9 h ILE 51 Cb 0.50 2.67 -0.09 0.00 -0.74 0.00 0.00 36.82 39.16 1tm9 h ILE 51 CO 0.00 0.88 0.02 -1.84 0.00 0.00 0.00 178.15 177.21 1tm9 n GLU 52 N -3.48 1.85 -0.02 2.37 0.28 -1.24 -3.60 120.64 116.81 1tm9 n GLU 52 Ca -0.01 -1.21 -0.02 0.00 -0.16 0.00 0.00 57.16 55.76 1tm9 n GLU 52 Cb 0.86 -1.75 -0.02 0.00 1.43 0.00 0.00 31.44 31.96 1tm9 n GLU 52 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1tm9 n ILE 53 N 1.52 0.22 -0.18 3.84 0.13 -1.23 -4.60 119.36 119.05 1tm9 n ILE 53 Ca 0.33 -0.09 -0.01 0.00 -1.10 0.00 0.00 62.75 61.88 1tm9 n ILE 53 Cb 0.68 -0.68 0.20 0.00 -0.84 0.00 0.00 39.64 39.01 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 -2.54 1.84 -0.27 9.51 -2.24 -1.24 -4.16 114.28 115.18 1tm9 n THR 54 Ca -0.07 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 60.71 1tm9 n THR 54 Cb 0.58 -0.46 0.16 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.13 2.30 -3.66 -0.78 5.02 -1.26 -4.55 118.16 115.37 1tm9 n LYS 55 Ca 0.22 -1.84 -0.16 0.00 -2.02 0.00 0.00 58.31 54.51 1tm9 n LYS 55 Cb 0.93 -1.80 -0.15 0.00 -0.02 0.00 0.00 35.03 33.99 1tm9 n LYS 55 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tm9 s ASP 56 N -0.41 0.64 0.47 4.39 1.01 -1.26 -5.01 116.67 116.50 1tm9 s ASP 56 Ca 0.34 0.40 0.32 0.00 0.71 0.00 0.00 52.55 54.33 1tm9 s ASP 56 Cb 0.28 0.44 1.44 0.00 1.01 0.00 0.00 42.92 46.09 1tm9 s ASP 56 CO 0.08 -0.25 1.69 1.05 0.21 0.00 0.00 175.17 177.95 1tm9 h GLU 57 N 8.33 0.11 -0.25 8.23 9.09 -1.95 1.43 114.58 139.57 1tm9 h GLU 57 Ca -0.14 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.16 1tm9 h GLU 57 Cb 1.12 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1tm9 h GLU 57 CO 0.15 0.07 -0.28 -0.97 0.05 0.00 0.00 179.01 178.03 1tm9 h ASN 58 N 0.12 0.68 0.56 3.06 -1.24 -1.96 -2.50 115.58 114.30 1tm9 h ASN 58 Ca 0.74 -0.49 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 1tm9 h ASN 58 Cb 2.48 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 41.35 1tm9 h ASN 58 CO -0.23 1.03 -0.27 1.56 -1.29 0.00 0.00 177.43 178.22 1tm9 h GLN 59 N 0.34 -0.73 -0.97 6.67 1.08 0.16 -1.36 115.11 120.30 1tm9 h GLN 59 Ca 0.04 0.05 0.32 0.00 -1.45 0.00 0.00 58.65 57.60 1tm9 h GLN 59 Cb 0.85 0.17 -0.16 0.00 -0.05 0.00 0.00 27.48 28.28 1tm9 h GLN 59 CO 0.07 -0.49 0.36 -0.56 -0.95 0.00 0.00 178.83 177.26 1tm9 h GLN 60 N -0.82 0.12 0.41 1.46 3.07 -1.07 1.00 115.11 119.29 1tm9 h GLN 60 Ca -0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 1tm9 h GLN 60 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1tm9 h GLN 60 CO 0.13 0.08 -0.22 0.82 0.09 0.00 0.00 178.83 179.73 1tm9 h ILE 61 N 0.13 0.00 -0.99 1.86 2.04 -1.26 0.62 117.51 119.91 1tm9 h ILE 61 Ca 0.70 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.73 1tm9 h ILE 61 Cb 1.61 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 1tm9 h ILE 61 CO -0.74 0.00 0.61 -0.33 0.00 0.00 0.00 178.15 177.69 1tm9 h GLU 62 N -0.58 0.73 -0.30 2.37 3.07 0.19 0.75 114.58 120.80 1tm9 h GLU 62 Ca -0.06 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1tm9 h GLU 62 Cb 0.45 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1tm9 h GLU 62 CO 0.08 0.48 0.07 0.82 -1.40 0.00 0.00 179.01 179.06 1tm9 h ILE 63 N 0.75 0.87 0.18 3.13 2.04 0.12 0.99 117.51 125.59 1tm9 h ILE 63 Ca 0.54 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.35 1tm9 h ILE 63 Cb 0.87 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1tm9 h ILE 63 CO -0.32 0.03 -0.52 0.74 0.00 0.00 0.00 178.15 178.09 1tm9 h THR 64 N 0.19 0.02 -0.52 -0.27 2.02 0.15 0.86 112.91 115.36 1tm9 h THR 64 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1tm9 h THR 64 Cb 0.14 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 1tm9 h THR 64 CO -0.17 0.00 0.30 0.50 0.37 0.00 0.00 175.52 176.51 1tm9 h LYS 65 N -0.79 0.70 -0.20 6.66 3.11 -1.16 -1.66 116.57 123.24 1tm9 h LYS 65 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1tm9 h LYS 65 Cb 0.77 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 1tm9 h LYS 65 CO -0.25 0.51 0.13 0.82 -2.81 0.00 0.00 179.45 177.84 1tm9 h ILE 66 N 0.71 1.07 -0.57 2.00 2.04 0.24 0.18 117.51 123.19 1tm9 h ILE 66 Ca 0.19 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1tm9 h ILE 66 Cb -0.00 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1tm9 h ILE 66 CO -0.03 0.07 0.31 0.00 0.00 0.00 0.00 178.15 178.49 1tm9 h ALA 67 N 1.05 0.75 -0.16 1.87 0.00 0.15 -1.90 119.26 121.01 1tm9 h ALA 67 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1tm9 h ALA 67 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1tm9 h ALA 67 CO -0.01 -0.02 0.09 0.28 0.00 0.00 0.00 179.25 179.59 1tm9 h VAL 68 N 0.59 1.02 -1.62 0.00 2.07 -0.80 -0.15 116.25 117.36 1tm9 h VAL 68 Ca 0.25 -0.07 0.48 0.00 0.82 0.00 0.00 66.70 68.19 1tm9 h VAL 68 Cb 0.14 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1tm9 h VAL 68 CO -0.16 0.04 1.14 -1.13 0.02 0.00 0.00 177.57 177.48 1tm9 h ASN 69 N 0.20 0.07 0.08 0.57 -1.24 0.18 1.63 115.58 117.06 1tm9 h ASN 69 Ca 0.06 0.03 -0.22 0.00 0.71 0.00 0.00 56.30 56.88 1tm9 h ASN 69 Cb -0.01 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1tm9 h ASN 69 CO -0.03 -0.04 -1.15 0.78 -1.29 0.00 0.00 177.43 175.69 1tm9 h ASN 70 N 0.03 0.25 -0.10 1.15 -0.26 -0.98 -3.31 115.58 112.35 1tm9 h ASN 70 Ca 0.82 -0.81 0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1tm9 h ASN 70 Cb 3.10 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 40.26 1tm9 h ASN 70 CO -0.11 1.49 -0.04 -0.29 -1.06 0.00 0.00 177.43 177.42 1tm9 h ILE 71 N -0.55 0.85 -0.75 2.81 6.09 0.27 0.37 117.51 126.60 1tm9 h ILE 71 Ca -0.26 0.00 0.22 0.00 -1.37 0.00 0.00 64.86 63.44 1tm9 h ILE 71 Cb 1.55 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 39.66 1tm9 h ILE 71 CO -0.00 0.00 0.69 0.07 -3.07 0.00 0.00 178.15 175.84 1tm9 h LYS 72 N -0.03 0.00 0.07 2.19 2.10 0.17 0.21 116.57 121.28 1tm9 h LYS 72 Ca 0.06 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.47 1tm9 h LYS 72 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1tm9 h LYS 72 CO -0.13 0.00 -1.26 1.15 -2.00 0.00 0.00 179.45 177.22 1tm9 h THR 73 N 0.00 1.05 -0.58 0.07 2.02 -0.92 -3.31 112.91 111.24 1tm9 h THR 73 Ca 0.35 -2.33 0.17 0.00 0.77 0.00 0.00 66.41 65.38 1tm9 h THR 73 Cb 1.74 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 70.75 1tm9 h THR 73 CO -0.00 0.59 0.73 -0.07 0.37 0.00 0.00 175.52 177.14 1tm9 h LEU 74 N -0.55 0.00 -5.37 2.58 3.38 0.28 -2.93 115.31 112.69 1tm9 h LEU 74 Ca -0.29 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.28 1tm9 h LEU 74 Cb 1.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.33 1tm9 h LEU 74 CO -0.02 0.00 2.64 -1.54 0.09 0.00 0.00 178.44 179.60 1tm9 n SER 75 N -3.43 5.19 0.00 -0.43 3.41 -0.65 -2.27 113.62 115.45 1tm9 n SER 75 Ca 0.12 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1tm9 n SER 75 Cb 0.93 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1tm9 n SER 75 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1tm9 n SER 76 N 4.11 0.00 -4.40 4.04 2.88 -1.11 -5.07 113.62 114.07 1tm9 n SER 76 Ca 0.47 0.00 -0.63 0.00 -1.33 0.00 0.00 58.87 57.38 1tm9 n SER 76 Cb 0.15 0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.53 1tm9 n SER 76 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1tm9 n VAL 77 N -1.16 0.00 -1.69 2.46 0.31 -0.96 -4.61 118.33 112.68 1tm9 n VAL 77 Ca 0.00 0.00 -0.66 0.00 -0.01 0.00 0.00 64.34 63.67 1tm9 n VAL 77 Cb 0.00 -0.48 -0.09 0.00 -0.91 0.00 0.00 33.84 32.36 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 4.77 0.09 0.24 2.92 0.00 -1.26 -4.80 105.19 107.15 1tm9 n GLY 78 Ca 0.36 0.95 -0.01 0.00 0.00 0.00 0.00 46.02 47.32 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 4.55 0.80 -4.00 4.61 0.00 -1.92 -3.41 119.26 119.89 1tm9 h ALA 79 Ca -0.46 0.06 -0.69 0.00 0.00 0.00 0.00 54.91 53.82 1tm9 h ALA 79 Cb 1.38 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.94 1tm9 h ALA 79 CO 0.90 -0.13 -0.76 -0.08 0.00 0.00 0.00 179.25 179.17 1tm9 s THR 80 N -6.09 3.11 0.05 0.00 -1.32 -1.26 -4.91 115.64 105.21 1tm9 s THR 80 Ca -0.13 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1tm9 s THR 80 Cb 0.16 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 1tm9 s THR 80 CO 0.75 0.59 0.00 0.61 -2.21 0.00 0.00 174.62 174.36 1tm9 n GLY 81 N 2.30 -4.01 2.46 6.08 0.00 -1.26 -4.94 105.19 105.81 1tm9 n GLY 81 Ca -0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 0.37 -1.02 -0.55 1.61 3.00 -1.26 -4.67 117.38 114.86 1tm9 n GLN 82 Ca 0.00 1.24 -0.30 0.00 -0.01 0.00 0.00 57.00 57.93 1tm9 n GLN 82 Cb 0.00 -4.20 0.27 0.00 0.00 0.00 0.00 30.24 26.31 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1tm9 s TYR 83 N -2.74 -0.10 0.48 1.08 1.51 -1.26 -4.62 117.35 111.71 1tm9 s TYR 83 Ca 0.04 0.64 0.21 0.00 -1.01 0.00 0.00 57.07 56.96 1tm9 s TYR 83 Cb -0.01 -3.04 1.25 0.00 -0.11 0.00 0.00 41.96 40.04 1tm9 s TYR 83 CO 0.48 -4.60 1.96 1.98 -1.11 0.00 0.00 175.55 174.26 1tm9 h MET 84 N -3.13 0.18 -0.48 -0.62 1.85 -1.93 -0.08 114.93 110.72 1tm9 h MET 84 Ca -0.46 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.69 1tm9 h MET 84 Cb 1.33 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 33.26 1tm9 h MET 84 CO 0.33 0.12 0.13 0.00 -0.40 0.00 0.00 176.91 177.09 1tm9 h ALA 85 N 1.68 0.55 0.00 0.39 0.00 -1.97 0.16 119.26 120.08 1tm9 h ALA 85 Ca 0.31 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1tm9 h ALA 85 Cb 0.98 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1tm9 h ALA 85 CO -0.05 -0.27 -0.27 0.77 0.00 0.00 0.00 179.25 179.43 1tm9 h SER 86 N 0.28 0.00 -0.42 0.00 0.02 -1.32 -2.87 113.55 109.24 1tm9 h SER 86 Ca 0.23 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.91 1tm9 h SER 86 Cb 0.28 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.69 1tm9 h SER 86 CO -0.27 0.27 0.36 0.33 -1.14 0.00 0.00 176.83 176.37 1tm9 n PHE 87 N -3.63 1.36 0.01 3.45 -0.00 0.56 -3.93 117.46 115.29 1tm9 n PHE 87 Ca -0.01 -1.73 0.00 0.00 -0.00 0.00 0.00 57.45 55.71 1tm9 n PHE 87 Cb 0.40 -0.84 0.00 0.00 -0.00 0.00 0.00 39.48 39.03 1tm9 n PHE 87 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1tm9 n PHE 88 N 0.36 -0.24 -0.33 -5.13 3.01 -1.08 -4.75 117.46 109.31 1tm9 n PHE 88 Ca 0.26 0.04 0.35 0.00 1.01 0.00 0.00 57.45 59.11 1tm9 n PHE 88 Cb 0.64 0.43 0.73 0.00 -0.01 0.00 0.00 39.48 41.27 1tm9 n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1tm9 h SER 89 N 0.00 0.04 0.01 4.37 4.64 -1.68 -2.02 113.55 118.92 1tm9 h SER 89 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1tm9 h SER 89 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1tm9 h SER 89 CO 0.00 0.00 -0.01 0.71 -0.87 0.00 0.00 176.83 176.67 1tm9 h THR 90 N 0.03 0.00 -3.22 2.95 1.35 -1.88 -3.40 112.91 108.74 1tm9 h THR 90 Ca 0.58 -0.01 -0.76 0.00 -0.55 0.00 0.00 66.41 65.67 1tm9 h THR 90 Cb 2.24 0.00 -0.24 0.00 -1.73 0.00 0.00 68.15 68.42 1tm9 h THR 90 CO -0.04 0.00 -0.04 0.54 -0.25 0.00 0.00 175.52 175.73 1tm9 s ASN 91 N -2.53 6.35 0.04 5.36 2.20 -0.76 -4.86 114.94 120.75 1tm9 s ASN 91 Ca -0.00 -1.97 0.03 0.00 -0.94 0.00 0.00 52.86 49.97 1tm9 s ASN 91 Cb 0.00 -2.23 -0.25 0.00 -2.00 0.00 0.00 41.25 36.77 1tm9 s ASN 91 CO 0.01 -0.84 1.00 -1.28 -2.94 0.00 0.00 177.10 173.05 1tm9 h SER 92 N 8.65 0.20 -0.61 3.54 0.87 -1.77 -2.84 113.55 121.59 1tm9 h SER 92 Ca -0.18 -0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.21 1tm9 h SER 92 Cb 1.08 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.87 1tm9 h SER 92 CO 0.98 1.22 -0.45 -0.33 -0.53 0.00 0.00 176.83 177.72 1tm9 h GLU 93 N 0.04 -0.21 -0.01 2.24 5.08 -1.90 1.35 114.58 121.17 1tm9 h GLU 93 Ca -0.16 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1tm9 h GLU 93 Cb 1.93 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1tm9 h GLU 93 CO 0.14 -0.14 -0.19 -1.00 -1.00 0.00 0.00 179.01 176.83 1tm9 h PRO 94 N -0.22 0.15 -0.42 2.33 0.13 -1.97 -2.83 132.00 129.18 1tm9 h PRO 94 Ca 0.18 -0.14 0.12 0.00 -0.87 0.00 0.00 66.00 65.29 1tm9 h PRO 94 Cb 0.56 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1tm9 h PRO 94 CO -0.71 0.86 0.48 0.00 -0.23 0.00 0.00 178.00 178.40 1tm9 h ALA 95 N 0.29 2.11 0.16 -0.56 0.00 -1.18 0.76 119.26 120.84 1tm9 h ALA 95 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tm9 h ALA 95 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1tm9 h ALA 95 CO 0.04 -0.69 -0.08 0.82 0.00 0.00 0.00 179.25 179.33 1tm9 h ILE 96 N 0.00 0.36 0.13 0.00 2.04 0.19 -1.67 117.51 118.55 1tm9 h ILE 96 Ca 0.20 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1tm9 h ILE 96 Cb 1.16 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1tm9 h ILE 96 CO -0.00 0.11 -0.16 0.40 0.00 0.00 0.00 178.15 178.50 1tm9 h ILE 97 N -1.01 0.64 -0.69 -0.67 5.03 -0.84 -0.62 117.51 119.34 1tm9 h ILE 97 Ca -0.02 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.83 1tm9 h ILE 97 Cb 0.34 0.64 -0.08 0.00 -3.03 0.00 0.00 36.82 34.70 1tm9 h ILE 97 CO 0.04 0.00 0.30 0.15 -0.68 0.00 0.00 178.15 177.95 1tm9 h PHE 98 N -0.33 0.52 -0.12 1.37 3.04 0.32 -0.52 116.94 121.22 1tm9 h PHE 98 Ca 0.01 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1tm9 h PHE 98 Cb 0.33 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1tm9 h PHE 98 CO -0.15 0.13 -0.08 0.00 -2.02 0.00 0.00 178.31 176.19 1tm9 h VAL 100 N -0.08 0.61 0.22 0.00 2.07 0.27 0.59 116.25 119.94 1tm9 h VAL 100 Ca 0.07 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1tm9 h VAL 100 Cb 0.19 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1tm9 h VAL 100 CO -0.17 0.04 -0.51 0.40 0.02 0.00 0.00 177.57 177.35 1tm9 h ILE 101 N 0.24 0.00 0.54 4.57 1.08 -0.03 -1.14 117.51 122.77 1tm9 h ILE 101 Ca 0.32 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.77 1tm9 h ILE 101 Cb 0.50 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 1tm9 h ILE 101 CO -0.43 0.00 -0.43 0.22 -0.69 0.00 0.00 178.15 176.83 1tm9 h TYR 102 N -0.81 -1.17 -1.12 1.37 3.20 -0.31 -1.19 116.97 116.95 1tm9 h TYR 102 Ca -0.02 -0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.25 1tm9 h TYR 102 Cb 0.77 0.44 -0.13 0.00 1.54 0.00 0.00 36.73 39.36 1tm9 h TYR 102 CO -0.40 -0.60 0.70 1.19 -1.64 0.00 0.00 178.16 177.41 1tm9 n PHE 103 N -5.06 0.70 0.01 -3.82 3.72 0.20 -0.18 117.46 113.03 1tm9 n PHE 103 Ca -0.11 0.70 -0.01 0.00 -0.05 0.00 0.00 57.45 57.98 1tm9 n PHE 103 Cb 0.41 -1.12 -0.00 0.00 -0.94 0.00 0.00 39.48 37.83 1tm9 n PHE 103 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1tm9 h LEU 104 N 0.00 -0.04 -1.04 4.37 3.38 -0.47 -1.45 115.31 120.06 1tm9 h LEU 104 Ca 0.75 0.00 0.40 0.00 0.09 0.00 0.00 57.88 59.13 1tm9 h LEU 104 Cb 2.34 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 42.94 1tm9 h LEU 104 CO -0.46 0.01 0.61 -1.22 0.09 0.00 0.00 178.44 177.47 1tm9 n TYR 105 N -2.32 0.91 0.03 1.13 4.01 0.20 0.18 117.16 121.30 1tm9 n TYR 105 Ca -0.01 0.92 -0.12 0.00 -0.16 0.00 0.00 57.90 58.53 1tm9 n TYR 105 Cb 0.02 -1.34 -0.09 0.00 -0.31 0.00 0.00 39.34 37.62 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 -0.12 -0.66 -0.72 3.86 -0.63 -3.21 115.15 113.66 1tm9 h HIS 106 Ca 0.79 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.96 1tm9 h HIS 106 Cb 2.25 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 30.73 1tm9 h HIS 106 CO -0.01 0.34 0.27 0.74 0.86 0.00 0.00 177.93 180.14 1tm9 h PHE 107 N -0.65 0.97 0.00 2.45 -1.00 0.24 -3.48 116.94 115.47 1tm9 h PHE 107 Ca -0.01 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1tm9 h PHE 107 Cb 0.51 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1tm9 h PHE 107 CO 0.09 0.74 0.00 0.41 -1.61 0.00 0.00 178.31 177.93 1tm9 n GLY 108 N -1.01 0.75 2.09 -1.45 0.00 0.48 -4.77 105.19 101.28 1tm9 n GLY 108 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.31 -1.70 1.61 3.72 -1.22 -4.98 117.46 111.57 1tm9 n PHE 109 Ca 0.00 0.89 -0.39 0.00 -0.05 0.00 0.00 57.45 57.90 1tm9 n PHE 109 Cb 0.00 1.97 0.04 0.00 -0.94 0.00 0.00 39.48 40.55 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 -3.38 4.91 -3.77 4.37 4.77 -1.26 -4.99 117.00 117.65 1tm9 n LEU 110 Ca 0.00 0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1tm9 n LEU 110 Cb 0.00 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 39.46 1tm9 n LEU 110 CO 0.00 -0.95 -0.04 -1.59 -1.33 0.00 0.00 177.39 173.48 1tm9 s LYS 111 N -2.81 0.37 -0.41 3.23 0.00 -1.26 -4.81 119.74 114.05 1tm9 s LYS 111 Ca 0.72 0.37 0.06 0.00 0.00 0.00 0.00 55.97 57.12 1tm9 s LYS 111 Cb -0.43 0.18 0.20 0.00 0.00 0.00 0.00 37.83 37.78 1tm9 s LYS 111 CO 0.49 -0.05 0.42 -3.47 0.00 0.00 0.00 175.35 172.73 1tm9 n ASP 112 N 2.80 -0.11 -0.37 0.03 2.03 -1.26 -4.81 116.55 114.86 1tm9 n ASP 112 Ca -0.13 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.65 1tm9 n ASP 112 Cb 0.58 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1tm9 n ASP 112 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1tm9 n ASN 113 N 2.25 -2.70 -3.89 1.67 5.15 -1.26 -4.04 115.26 112.43 1tm9 n ASN 113 Ca 0.26 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.82 1tm9 n ASN 113 Cb 0.50 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.75 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 -1.29 6.22 -3.45 1.20 2.85 -1.26 -4.91 115.26 114.63 1tm9 n ASN 114 Ca 0.00 -3.34 -0.12 0.00 -0.11 0.00 0.00 54.58 51.02 1tm9 n ASN 114 Cb 0.00 -1.33 -0.02 0.00 1.24 0.00 0.00 39.78 39.67 1tm9 n ASN 114 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1tm9 s LYS 115 N -1.92 1.15 -0.51 1.20 -2.85 -1.26 -5.12 119.74 110.44 1tm9 s LYS 115 Ca 0.36 -0.37 0.07 0.00 -1.00 0.00 0.00 55.97 55.02 1tm9 s LYS 115 Cb 0.09 0.53 0.19 0.00 -2.06 0.00 0.00 37.83 36.58 1tm9 s LYS 115 CO 0.04 -0.49 0.71 0.36 0.10 0.00 0.00 175.35 176.07 1tm9 n LYS 116 N -0.24 0.53 -1.79 1.78 -0.00 -1.26 -4.72 118.16 112.45 1tm9 n LYS 116 Ca -0.15 -2.10 -0.03 0.00 -0.00 0.00 0.00 58.31 56.02 1tm9 n LYS 116 Cb 0.64 -1.48 0.04 0.00 -0.00 0.00 0.00 35.03 34.22 1tm9 n LYS 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tm9 n GLN 117 N 2.85 0.64 0.00 -1.58 10.64 -1.26 -4.84 117.38 123.84 1tm9 n GLN 117 Ca 0.18 -0.91 0.00 0.00 -1.83 0.00 0.00 57.00 54.44 1tm9 n GLN 117 Cb 0.56 0.41 0.00 0.00 -0.86 0.00 0.00 30.24 30.35 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 -0.73 0.00 0.19 -0.39 3.06 -1.26 -4.77 119.36 115.46 1tm9 n ILE 118 Ca -0.18 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 59.99 1tm9 n ILE 118 Cb 0.73 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.87 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 -1.54 9.51 1.08 -1.97 0.10 117.51 124.69 1tm9 h ILE 119 Ca 0.00 -0.07 0.45 0.00 -0.39 0.00 0.00 64.86 64.85 1tm9 h ILE 119 Cb 0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.68 1tm9 h ILE 119 CO 0.00 0.00 1.10 0.50 -0.69 0.00 0.00 178.15 179.06 1tm9 h LYS 120 N -0.55 0.02 0.09 2.37 3.64 -1.95 1.53 116.57 121.72 1tm9 h LYS 120 Ca -0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1tm9 h LYS 120 Cb 0.37 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1tm9 h LYS 120 CO 0.08 0.01 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.01 1tm9 h LYS 121 N 0.02 -0.12 0.28 1.90 1.63 -1.76 -2.01 116.57 116.51 1tm9 h LYS 121 Ca 0.75 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.54 1tm9 h LYS 121 Cb 2.92 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 34.58 1tm9 h LYS 121 CO -0.05 0.32 -0.13 0.00 -3.45 0.00 0.00 179.45 176.14 1tm9 h ALA 122 N 0.21 -0.50 -1.12 5.00 0.00 0.30 -0.44 119.26 122.70 1tm9 h ALA 122 Ca -0.01 -0.08 0.44 0.00 0.00 0.00 0.00 54.91 55.25 1tm9 h ALA 122 Cb 0.50 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.27 1tm9 h ALA 122 CO 0.02 -0.47 0.65 0.66 0.00 0.00 0.00 179.25 180.11 1tm9 n TYR 123 N -4.16 1.02 0.07 0.00 4.02 0.44 0.22 117.16 118.76 1tm9 n TYR 123 Ca -0.05 1.02 -0.20 0.00 -0.01 0.00 0.00 57.90 58.67 1tm9 n TYR 123 Cb 0.15 -1.44 -0.11 0.00 -0.02 0.00 0.00 39.34 37.92 1tm9 n TYR 123 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1tm9 h GLU 124 N 0.00 0.62 -0.41 -0.72 4.57 -1.38 -2.05 114.58 115.21 1tm9 h GLU 124 Ca 0.86 -0.75 0.12 0.00 -1.18 0.00 0.00 59.36 58.41 1tm9 h GLU 124 Cb 2.44 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 31.24 1tm9 h GLU 124 CO -0.67 1.32 0.49 0.00 -1.18 0.00 0.00 179.01 178.98 1tm9 h THR 125 N 0.32 0.31 0.00 0.32 1.03 0.44 0.43 112.91 115.76 1tm9 h THR 125 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1tm9 h THR 125 Cb 1.79 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 1tm9 h THR 125 CO 0.22 0.00 -0.42 -0.38 -0.01 0.00 0.00 175.52 174.92 1tm9 n ILE 126 N -3.60 0.91 -0.42 0.00 5.41 -0.73 -1.65 119.36 119.28 1tm9 n ILE 126 Ca 0.08 0.31 0.40 0.00 1.00 0.00 0.00 62.75 64.53 1tm9 n ILE 126 Cb 0.66 -2.05 0.70 0.00 -0.71 0.00 0.00 39.64 38.24 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 -1.37 3.32 0.00 -1.39 0.00 -1.04 1.85 119.26 120.63 1tm9 h ALA 127 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tm9 h ALA 127 Cb 0.42 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1tm9 h ALA 127 CO 0.00 -1.89 -0.48 -3.47 0.00 0.00 0.00 179.25 173.41 1tm9 n ASP 128 N -3.79 1.68 -0.27 0.00 2.03 0.15 -3.57 116.55 112.78 1tm9 n ASP 128 Ca 0.31 0.60 0.09 0.00 0.52 0.00 0.00 54.79 56.31 1tm9 n ASP 128 Cb 1.59 -0.84 0.23 0.00 -0.72 0.00 0.00 41.12 41.38 1tm9 n ASP 128 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1tm9 h ASN 129 N -0.93 0.02 -0.27 1.67 -1.24 -0.05 1.59 115.58 116.37 1tm9 h ASN 129 Ca 0.00 0.17 0.05 0.00 0.71 0.00 0.00 56.30 57.23 1tm9 h ASN 129 Cb 0.48 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 1tm9 h ASN 129 CO 0.00 -0.08 0.18 -0.29 -1.29 0.00 0.00 177.43 175.96 1tm9 h ILE 130 N 0.26 0.93 -0.01 2.57 2.10 0.26 0.89 117.51 124.50 1tm9 h ILE 130 Ca 0.47 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 66.37 1tm9 h ILE 130 Cb 0.87 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1tm9 h ILE 130 CO -0.57 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 176.52 1tm9 n ALA 131 N -2.56 2.62 0.02 0.18 0.00 0.54 -2.76 120.51 118.55 1tm9 n ALA 131 Ca 0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1tm9 n ALA 131 Cb 0.26 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.24 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 0.22 0.06 -0.02 0.00 3.58 0.15 -3.32 116.42 117.09 1tm9 h ASP 132 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1tm9 h ASP 132 Cb 0.05 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1tm9 h ASP 132 CO 0.00 1.08 -0.34 0.00 -2.88 0.00 0.00 179.24 177.10 1tm9 n TYR 133 N -3.21 0.00 0.00 0.28 0.18 -1.15 -4.66 117.16 108.60 1tm9 n TYR 133 Ca -0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.66 1tm9 n TYR 133 Cb 1.01 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.97 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 0.24 0.00 -2.98 -3.48 4.77 -1.11 -4.91 117.00 109.52 1tm9 n LEU 134 Ca 0.09 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 1tm9 n LEU 134 Cb 0.46 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1tm9 n LEU 134 CO 0.23 0.00 0.10 0.59 -1.33 0.00 0.00 177.39 176.98 1tm9 n ASN 135 N -0.42 -2.46 -2.33 -1.43 3.02 -1.26 -3.92 115.26 106.46 1tm9 n ASN 135 Ca 0.00 -0.50 -0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1tm9 n ASN 135 Cb 0.00 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tm9 n GLU 136 N -3.62 -0.71 0.00 3.52 -0.58 -1.26 -5.23 120.64 112.76 1tm9 n GLU 136 Ca -0.21 1.03 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1tm9 n GLU 136 Cb 0.63 -3.78 0.00 0.00 -0.57 0.00 0.00 31.44 27.71 1tm9 n GLU 136 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74