#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 0.50 0.07 0.03 -1.05 -1.26 -5.14 118.70 111.85 1tm9 s GLU 2 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1tm9 s GLU 2 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1tm9 s GLU 2 CO 0.00 -0.23 0.00 0.94 0.95 0.00 0.00 175.26 176.92 1tm9 n GLN 3 N -0.56 -2.14 -1.43 -4.83 7.27 -1.26 -4.98 117.38 109.45 1tm9 n GLN 3 Ca -0.06 1.82 0.18 0.00 0.07 0.00 0.00 57.00 59.01 1tm9 n GLN 3 Cb 0.62 -1.68 -0.08 0.00 2.41 0.00 0.00 30.24 31.51 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1tm9 n ASN 4 N 0.73 -8.14 0.08 1.69 4.13 -1.26 -4.87 115.26 107.62 1tm9 n ASN 4 Ca 0.00 1.17 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1tm9 n ASN 4 Cb 0.00 -4.74 0.00 0.00 -1.54 0.00 0.00 39.78 33.50 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 -4.34 -0.49 0.00 6.41 4.13 -1.26 -4.79 115.26 114.92 1tm9 n ASN 5 Ca -0.06 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1tm9 n ASN 5 Cb 0.68 0.60 0.00 0.00 -1.54 0.00 0.00 39.78 39.52 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 -2.95 0.00 -0.32 2.41 2.08 -1.26 0.16 119.36 119.48 1tm9 n ILE 6 Ca 0.00 1.13 0.22 0.00 0.56 0.00 0.00 62.75 64.66 1tm9 n ILE 6 Cb 0.00 -2.03 0.43 0.00 -0.75 0.00 0.00 39.64 37.29 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 0.17 -0.66 0.38 3.11 -1.99 1.39 116.57 118.97 1tm9 h LYS 7 Ca 0.00 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1tm9 h LYS 7 Cb 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.16 1tm9 h LYS 7 CO 0.00 0.11 0.40 1.49 -2.81 0.00 0.00 179.45 178.64 1tm9 h GLU 8 N 0.17 0.89 -0.40 1.90 4.22 -1.81 -1.47 114.58 118.09 1tm9 h GLU 8 Ca 0.70 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 60.09 1tm9 h GLU 8 Cb 1.62 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1tm9 h GLU 8 CO -0.70 0.63 0.27 1.96 -2.18 0.00 0.00 179.01 178.98 1tm9 h GLN 9 N 0.89 0.42 -0.32 1.92 4.20 1.17 -1.20 115.11 122.19 1tm9 h GLN 9 Ca 0.24 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 1tm9 h GLN 9 Cb -0.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1tm9 h GLN 9 CO -0.05 0.28 0.01 -0.07 -0.67 0.00 0.00 178.83 178.33 1tm9 h LEU 10 N 0.43 0.55 0.05 1.46 3.38 -0.22 -1.78 115.31 119.19 1tm9 h LEU 10 Ca 0.16 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1tm9 h LEU 10 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1tm9 h LEU 10 CO -0.04 0.72 -0.03 0.40 0.09 0.00 0.00 178.44 179.58 1tm9 h ILE 11 N 0.37 0.00 -0.96 1.22 5.03 -0.67 -1.90 117.51 120.60 1tm9 h ILE 11 Ca 0.09 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.94 1tm9 h ILE 11 Cb 0.43 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.10 1tm9 h ILE 11 CO 0.02 0.00 -0.52 -1.20 -0.68 0.00 0.00 178.15 175.77 1tm9 n SER 12 N -2.34 -0.92 0.00 1.72 7.64 -0.72 0.18 113.62 119.18 1tm9 n SER 12 Ca -0.01 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.58 1tm9 n SER 12 Cb 0.03 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1tm9 n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1tm9 n PHE 13 N -5.26 0.00 -0.33 1.43 3.01 -0.67 0.00 117.46 115.65 1tm9 n PHE 13 Ca 0.04 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.68 1tm9 n PHE 13 Cb 0.29 0.00 0.36 0.00 -0.01 0.00 0.00 39.48 40.11 1tm9 n PHE 13 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1tm9 h PHE 14 N 0.00 0.25 -0.96 1.38 3.04 -1.21 1.46 116.94 120.91 1tm9 h PHE 14 Ca 0.00 0.06 0.23 0.00 3.98 0.00 0.00 57.97 62.24 1tm9 h PHE 14 Cb 0.00 0.05 -0.12 0.00 2.56 0.00 0.00 35.95 38.44 1tm9 h PHE 14 CO 0.00 -0.39 0.52 -0.97 -2.02 0.00 0.00 178.31 175.44 1tm9 h ASN 15 N 0.06 0.55 -0.41 0.41 -0.73 0.23 0.24 115.58 115.91 1tm9 h ASN 15 Ca 0.65 0.14 -0.27 0.00 1.87 0.00 0.00 56.30 58.68 1tm9 h ASN 15 Cb 1.44 0.06 -0.10 0.00 0.27 0.00 0.00 38.32 39.99 1tm9 h ASN 15 CO -0.83 0.08 0.08 0.00 -0.37 0.00 0.00 177.43 176.40 1tm9 n GLN 16 N -4.94 1.89 0.00 6.67 1.13 0.50 -4.08 117.38 118.56 1tm9 n GLN 16 Ca 0.25 -1.33 0.00 0.00 -1.94 0.00 0.00 57.00 53.97 1tm9 n GLN 16 Cb 0.69 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tm9 n ALA 17 N 1.38 1.12 -1.00 -1.58 0.00 0.79 -4.73 120.51 116.49 1tm9 n ALA 17 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1tm9 n ALA 17 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 -2.55 -0.53 0.00 7.64 -1.26 -4.94 113.62 111.98 1tm9 n SER 19 Ca 0.00 -2.78 0.05 0.00 1.01 0.00 0.00 58.87 57.15 1tm9 n SER 19 Cb 0.00 1.52 -0.01 0.00 -1.01 0.00 0.00 64.21 64.70 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 1.86 0.00 -0.31 0.44 -2.24 -1.26 -0.67 114.28 112.10 1tm9 n THR 20 Ca 0.09 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.88 1tm9 n THR 20 Cb 0.64 -0.13 0.07 0.00 -2.10 0.00 0.00 70.33 68.81 1tm9 n THR 20 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1tm9 h HIS 21 N -0.36 -0.73 -0.71 4.78 3.86 -1.99 0.33 115.15 120.33 1tm9 h HIS 21 Ca 0.01 0.09 0.14 0.00 -1.16 0.00 0.00 60.37 59.44 1tm9 h HIS 21 Cb 0.36 0.45 -0.13 0.00 1.06 0.00 0.00 27.41 29.15 1tm9 h HIS 21 CO 0.00 -0.39 -0.19 1.04 0.86 0.00 0.00 177.93 179.25 1tm9 n GLN 22 N -5.52 -0.08 0.03 2.45 6.02 -1.22 0.18 117.38 119.25 1tm9 n GLN 22 Ca 0.11 1.10 -0.12 0.00 -0.01 0.00 0.00 57.00 58.08 1tm9 n GLN 22 Cb 0.42 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 1tm9 n GLN 22 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1tm9 h GLU 23 N 0.00 -0.02 -0.48 -1.09 4.22 0.20 -1.59 114.58 115.81 1tm9 h GLU 23 Ca 0.32 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.85 1tm9 h GLU 23 Cb 0.50 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1tm9 h GLU 23 CO -0.73 0.16 -0.39 0.00 -2.18 0.00 0.00 179.01 175.87 1tm9 h ARG 24 N -0.19 -0.25 0.00 1.92 3.08 0.23 1.99 114.38 121.16 1tm9 h ARG 24 Ca -0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1tm9 h ARG 24 Cb 0.18 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1tm9 h ARG 24 CO 0.00 -0.17 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.65 1tm9 h LEU 25 N -0.26 0.00 0.00 3.04 3.38 -0.81 0.54 115.31 121.20 1tm9 h LEU 25 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1tm9 h LEU 25 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1tm9 h LEU 25 CO -0.62 0.02 -0.46 0.47 0.09 0.00 0.00 178.44 177.94 1tm9 n ASP 26 N -3.79 0.47 -0.08 -0.43 8.00 0.38 -4.08 116.55 117.01 1tm9 n ASP 26 Ca -0.03 -0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 1tm9 n ASP 26 Cb 0.11 0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1tm9 n ASP 26 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1tm9 h PHE 27 N 0.00 0.00 -1.85 1.24 3.04 0.77 -2.68 116.94 117.46 1tm9 h PHE 27 Ca 0.00 0.00 0.54 0.00 3.98 0.00 0.00 57.97 62.49 1tm9 h PHE 27 Cb 0.52 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.96 1tm9 h PHE 27 CO 0.00 0.34 1.37 -0.84 -2.02 0.00 0.00 178.31 177.16 1tm9 h ILE 28 N -1.00 0.03 0.00 1.41 3.07 -1.22 1.33 117.51 121.13 1tm9 h ILE 28 Ca -0.08 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.33 1tm9 h ILE 28 Cb 0.65 0.03 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1tm9 h ILE 28 CO -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.05 1tm9 h SER 30 N 0.00 -1.72 -1.04 0.00 0.02 -0.71 1.62 113.55 111.72 1tm9 h SER 30 Ca 0.00 0.28 0.29 0.00 -0.84 0.00 0.00 61.79 61.52 1tm9 h SER 30 Cb 0.00 0.79 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 1tm9 h SER 30 CO 0.00 -0.30 0.73 0.74 -1.14 0.00 0.00 176.83 176.85 1tm9 h THR 31 N -0.14 0.50 0.00 -2.27 2.02 0.14 1.44 112.91 114.61 1tm9 h THR 31 Ca 0.20 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 1tm9 h THR 31 Cb 0.53 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1tm9 h THR 31 CO -0.81 0.02 -0.68 -0.09 0.37 0.00 0.00 175.52 174.34 1tm9 h ARG 32 N 0.14 0.00 -1.03 6.66 9.65 0.20 -3.31 114.38 126.69 1tm9 h ARG 32 Ca 0.53 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.82 1tm9 h ARG 32 Cb 1.82 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 30.00 1tm9 h ARG 32 CO -0.10 0.35 -0.46 -0.85 2.80 0.00 0.00 179.97 181.72 1tm9 n GLU 33 N -3.09 3.40 -3.08 0.20 0.28 0.46 -4.83 120.64 113.98 1tm9 n GLU 33 Ca -0.00 -4.09 -0.08 0.00 -0.16 0.00 0.00 57.16 52.82 1tm9 n GLU 33 Cb 0.72 -2.27 -0.03 0.00 1.43 0.00 0.00 31.44 31.29 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1tm9 s SER 34 N -3.20 -0.62 0.43 -1.84 1.04 0.90 -4.86 113.70 105.55 1tm9 s SER 34 Ca 0.52 -1.63 0.21 0.00 0.48 0.00 0.00 55.95 55.54 1tm9 s SER 34 Cb 0.42 1.37 1.18 0.00 0.10 0.00 0.00 66.02 69.09 1tm9 s SER 34 CO -0.05 -0.14 1.80 0.44 0.98 0.00 0.00 173.24 176.28 1tm9 h ASP 35 N 6.00 0.35 -2.11 7.02 3.32 -1.87 -3.41 116.42 125.73 1tm9 h ASP 35 Ca 0.08 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1tm9 h ASP 35 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1tm9 h ASP 35 CO 0.12 0.09 0.00 1.07 -1.72 0.00 0.00 179.24 178.79 1tm9 n THR 36 N -4.52 0.00 0.00 0.35 5.66 -1.26 -5.04 114.28 109.47 1tm9 n THR 36 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1tm9 n THR 36 Cb 0.89 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 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 -0.95 0.00 0.21 1.09 3.72 -1.26 -4.61 117.46 115.66 1tm9 n PHE 37 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1tm9 n PHE 37 Cb 0.00 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.46 0.20 0.09 4.37 3.41 -1.26 -1.08 113.62 116.88 1tm9 n SER 38 Ca 0.00 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.05 1tm9 n SER 38 Cb 0.49 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 1tm9 n SER 38 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1tm9 h SER 39 N 0.00 0.36 -3.85 4.04 0.02 -1.93 -3.46 113.55 108.74 1tm9 h SER 39 Ca 0.00 -0.35 -0.56 0.00 -0.84 0.00 0.00 61.79 60.03 1tm9 h SER 39 Cb 0.11 -0.12 0.15 0.00 0.14 0.00 0.00 62.40 62.69 1tm9 h SER 39 CO 0.00 1.23 0.39 0.52 -1.14 0.00 0.00 176.83 177.83 1tm9 n VAL 40 N -3.57 4.10 0.21 2.27 0.31 -0.24 -4.91 118.33 116.50 1tm9 n VAL 40 Ca -0.06 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.62 1tm9 n VAL 40 Cb 0.95 -1.40 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 1tm9 n VAL 40 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1tm9 h ASP 41 N 0.81 -0.57 -1.88 4.52 3.04 -1.88 -3.43 116.42 117.03 1tm9 h ASP 41 Ca -0.50 0.04 -0.64 0.00 -3.24 0.00 0.00 57.03 52.69 1tm9 h ASP 41 Cb 1.34 0.18 0.10 0.00 -1.04 0.00 0.00 39.33 39.91 1tm9 h ASP 41 CO 0.53 -0.35 -0.04 0.55 -2.04 0.00 0.00 179.24 177.90 1tm9 n VAL 42 N -5.35 1.69 -2.52 4.15 3.14 -1.26 -4.89 118.33 113.28 1tm9 n VAL 42 Ca -0.10 -0.42 -0.38 0.00 -2.96 0.00 0.00 64.34 60.48 1tm9 n VAL 42 Cb 0.26 -0.64 -0.04 0.00 -1.06 0.00 0.00 33.84 32.36 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 -1.09 4.41 0.03 1.45 0.04 -1.26 -4.93 135.00 133.66 1tm9 s PRO 43 Ca 0.64 1.64 0.28 0.00 0.04 0.00 0.00 61.00 63.61 1tm9 s PRO 43 Cb -0.82 -2.87 1.05 0.00 0.04 0.00 0.00 34.50 31.90 1tm9 s PRO 43 CO 0.57 0.05 1.82 1.28 0.04 0.00 0.00 177.00 180.75 1tm9 n LEU 44 N 0.57 0.20 0.46 -3.56 4.77 -1.26 -2.69 117.00 115.49 1tm9 n LEU 44 Ca 0.02 0.43 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1tm9 n LEU 44 Cb 0.47 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1tm9 n LEU 44 CO 0.49 -0.01 0.47 -0.33 -1.33 0.00 0.00 177.39 176.69 1tm9 h GLU 45 N 0.00 -1.14 -0.05 3.23 4.39 -1.99 -0.67 114.58 118.36 1tm9 h GLU 45 Ca 0.00 0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.55 1tm9 h GLU 45 Cb 0.54 0.26 0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1tm9 h GLU 45 CO 0.00 -0.76 -0.84 -1.00 -1.16 0.00 0.00 179.01 175.25 1tm9 h PRO 46 N -1.30 0.66 -0.99 2.33 0.13 -1.85 -3.20 132.00 127.78 1tm9 h PRO 46 Ca -0.12 -0.64 0.16 0.00 -0.87 0.00 0.00 66.00 64.53 1tm9 h PRO 46 Cb 0.90 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.10 1tm9 h PRO 46 CO 0.20 1.24 0.61 0.82 -0.23 0.00 0.00 178.00 180.64 1tm9 h ILE 47 N 0.32 0.80 0.00 -3.56 1.08 -1.59 1.46 117.51 116.02 1tm9 h ILE 47 Ca -0.09 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1tm9 h ILE 47 Cb 1.50 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1tm9 h ILE 47 CO 0.17 0.16 0.00 0.29 -0.69 0.00 0.00 178.15 178.07 1tm9 n LYS 48 N -4.71 0.09 -0.01 2.37 5.02 -0.26 0.28 118.16 120.94 1tm9 n LYS 48 Ca 0.21 0.51 -0.12 0.00 -2.02 0.00 0.00 58.31 56.89 1tm9 n LYS 48 Cb 0.47 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 1tm9 n LYS 48 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1tm9 n ASN 49 N -1.94 1.21 0.03 4.39 2.85 0.49 -3.84 115.26 118.45 1tm9 n ASN 49 Ca 0.00 0.37 0.12 0.00 -0.11 0.00 0.00 54.58 54.96 1tm9 n ASN 49 Cb 0.08 -0.29 0.24 0.00 1.24 0.00 0.00 39.78 41.06 1tm9 n ASN 49 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1tm9 n ILE 50 N -3.16 0.16 0.20 -1.44 -5.35 0.15 -3.51 119.36 106.42 1tm9 n ILE 50 Ca -0.20 -0.12 0.08 0.00 -0.27 0.00 0.00 62.75 62.23 1tm9 n ILE 50 Cb 1.05 0.02 0.36 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.00 0.63 -0.47 7.28 2.04 -0.28 -3.11 117.51 123.60 1tm9 h ILE 51 Ca 0.00 -1.36 -0.30 0.00 1.00 0.00 0.00 64.86 64.21 1tm9 h ILE 51 Cb 0.61 1.91 -0.12 0.00 -0.74 0.00 0.00 36.82 38.48 1tm9 h ILE 51 CO 0.00 0.28 0.30 -1.84 0.00 0.00 0.00 178.15 176.89 1tm9 n GLU 52 N -3.37 1.79 -0.04 2.37 0.28 -1.23 -3.73 120.64 116.71 1tm9 n GLU 52 Ca 0.01 -1.42 -0.05 0.00 -0.16 0.00 0.00 57.16 55.53 1tm9 n GLU 52 Cb 0.50 -1.63 -0.04 0.00 1.43 0.00 0.00 31.44 31.70 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 0.73 0.48 -0.21 3.84 0.13 -1.18 -4.55 119.36 118.61 1tm9 n ILE 53 Ca 0.29 -0.21 0.02 0.00 -1.10 0.00 0.00 62.75 61.76 1tm9 n ILE 53 Cb 0.58 -0.81 0.24 0.00 -0.84 0.00 0.00 39.64 38.81 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 -2.64 1.80 0.16 9.51 -2.24 -1.24 -4.42 114.28 115.22 1tm9 n THR 54 Ca -0.14 -0.91 -0.06 0.00 -2.27 0.00 0.00 64.05 60.66 1tm9 n THR 54 Cb 0.67 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1tm9 n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1tm9 h LYS 55 N 2.31 -0.40 -6.56 -0.78 1.57 -1.80 -3.39 116.57 107.53 1tm9 h LYS 55 Ca 0.04 0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 58.25 1tm9 h LYS 55 Cb 1.51 0.09 0.10 0.00 0.08 0.00 0.00 32.23 34.02 1tm9 h LYS 55 CO 0.35 -0.27 0.30 -0.25 -0.57 0.00 0.00 179.45 179.01 1tm9 n ASP 56 N -3.32 1.88 0.24 0.86 8.00 -1.26 -4.84 116.55 118.12 1tm9 n ASP 56 Ca -0.05 1.18 0.09 0.00 0.71 0.00 0.00 54.79 56.72 1tm9 n ASP 56 Cb 0.16 -1.36 0.62 0.00 -0.02 0.00 0.00 41.12 40.52 1tm9 n ASP 56 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1tm9 h GLU 57 N 2.48 0.00 -0.16 -1.24 9.09 -1.97 -1.37 114.58 121.41 1tm9 h GLU 57 Ca -0.42 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 58.85 1tm9 h GLU 57 Cb 1.32 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.41 1tm9 h GLU 57 CO 0.63 0.16 -0.48 -0.97 0.05 0.00 0.00 179.01 178.40 1tm9 h ASN 58 N 0.00 0.46 -0.04 3.06 -0.73 -1.95 -2.32 115.58 114.07 1tm9 h ASN 58 Ca -0.00 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 1tm9 h ASN 58 Cb 0.34 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 1tm9 h ASN 58 CO 0.02 0.86 -0.01 -0.61 -0.37 0.00 0.00 177.43 177.32 1tm9 h GLN 59 N 0.34 0.07 -0.88 6.67 5.75 -1.58 0.30 115.11 125.78 1tm9 h GLN 59 Ca 0.02 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1tm9 h GLN 59 Cb 0.97 -0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.44 1tm9 h GLN 59 CO 0.08 0.45 0.52 1.96 -2.65 0.00 0.00 178.83 179.19 1tm9 h GLN 60 N -0.31 0.84 0.32 1.69 4.20 -1.38 1.24 115.11 121.71 1tm9 h GLN 60 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1tm9 h GLN 60 Cb 0.42 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1tm9 h GLN 60 CO 0.00 0.55 -0.16 0.82 -0.67 0.00 0.00 178.83 179.38 1tm9 h ILE 61 N 0.86 0.66 0.00 2.54 2.04 -1.33 0.78 117.51 123.07 1tm9 h ILE 61 Ca 0.42 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1tm9 h ILE 61 Cb 0.38 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1tm9 h ILE 61 CO -0.25 0.11 -0.00 -0.08 0.00 0.00 0.00 178.15 177.93 1tm9 h GLU 62 N -0.77 0.00 -0.04 2.37 4.57 -0.38 -1.73 114.58 118.60 1tm9 h GLU 62 Ca -0.04 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1tm9 h GLU 62 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1tm9 h GLU 62 CO 0.07 0.00 -0.17 0.82 -1.18 0.00 0.00 179.01 178.55 1tm9 h ILE 63 N 0.00 1.46 -0.37 2.32 2.04 0.18 -0.62 117.51 122.52 1tm9 h ILE 63 Ca -0.00 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.30 1tm9 h ILE 63 Cb 0.00 2.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 1tm9 h ILE 63 CO 0.00 0.45 -0.47 0.74 0.00 0.00 0.00 178.15 178.87 1tm9 h THR 64 N -0.37 0.07 -0.08 -0.27 2.02 0.07 0.53 112.91 114.89 1tm9 h THR 64 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1tm9 h THR 64 Cb 0.82 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1tm9 h THR 64 CO 0.04 0.00 0.03 0.11 0.37 0.00 0.00 175.52 176.07 1tm9 h LYS 65 N -0.38 0.11 -0.88 6.66 6.56 -1.57 -2.44 116.57 124.63 1tm9 h LYS 65 Ca 0.11 -0.02 0.24 0.00 -1.06 0.00 0.00 60.65 59.92 1tm9 h LYS 65 Cb 0.60 -0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 32.10 1tm9 h LYS 65 CO -0.56 0.21 0.24 0.82 -2.06 0.00 0.00 179.45 178.11 1tm9 h ILE 66 N -0.02 0.31 -0.15 1.86 2.04 -0.00 1.03 117.51 122.58 1tm9 h ILE 66 Ca 0.03 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1tm9 h ILE 66 Cb 0.14 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1tm9 h ILE 66 CO -0.00 0.04 0.07 0.00 0.00 0.00 0.00 178.15 178.26 1tm9 h ALA 67 N 1.79 0.18 -0.02 1.87 0.00 0.46 -0.27 119.26 123.27 1tm9 h ALA 67 Ca 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1tm9 h ALA 67 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1tm9 h ALA 67 CO -0.66 -0.36 -0.17 0.28 0.00 0.00 0.00 179.25 178.34 1tm9 h VAL 68 N 0.16 1.13 -0.32 0.00 2.07 0.60 1.31 116.25 121.19 1tm9 h VAL 68 Ca 0.06 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1tm9 h VAL 68 Cb 0.01 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1tm9 h VAL 68 CO -0.04 0.18 -0.15 -1.13 0.02 0.00 0.00 177.57 176.45 1tm9 h ASN 69 N 0.03 0.56 0.64 0.57 -0.73 0.21 1.49 115.58 118.35 1tm9 h ASN 69 Ca 0.00 -0.16 -0.21 0.00 1.87 0.00 0.00 56.30 57.80 1tm9 h ASN 69 Cb 0.32 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 1tm9 h ASN 69 CO 0.02 0.73 -1.50 0.78 -0.37 0.00 0.00 177.43 177.10 1tm9 h ASN 70 N 0.52 0.00 0.00 1.15 2.35 0.18 -3.34 115.58 116.44 1tm9 h ASN 70 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1tm9 h ASN 70 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1tm9 h ASN 70 CO 0.04 0.73 -0.04 0.40 -1.65 0.00 0.00 177.43 176.91 1tm9 h ILE 71 N 0.00 1.64 -1.34 2.81 1.08 0.20 -2.88 117.51 119.02 1tm9 h ILE 71 Ca -0.20 -1.95 0.39 0.00 -0.39 0.00 0.00 64.86 62.71 1tm9 h ILE 71 Cb 1.74 2.96 -0.07 0.00 -3.07 0.00 0.00 36.82 38.38 1tm9 h ILE 71 CO 0.06 0.51 0.95 0.07 -0.69 0.00 0.00 178.15 179.05 1tm9 h LYS 72 N -0.78 0.05 0.06 2.37 2.10 0.19 1.54 116.57 122.10 1tm9 h LYS 72 Ca -0.01 -0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.38 1tm9 h LYS 72 Cb 0.85 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1tm9 h LYS 72 CO 0.01 0.04 -1.09 1.15 -2.00 0.00 0.00 179.45 177.55 1tm9 h THR 73 N 0.06 1.37 0.00 0.07 2.02 -1.67 -3.01 112.91 111.75 1tm9 h THR 73 Ca 0.67 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1tm9 h THR 73 Cb 2.51 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 71.51 1tm9 h THR 73 CO -0.08 0.76 0.03 -0.07 0.37 0.00 0.00 175.52 176.53 1tm9 h LEU 74 N 0.23 0.00 -4.14 2.58 3.38 0.24 -2.83 115.31 114.78 1tm9 h LEU 74 Ca -0.12 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.57 1tm9 h LEU 74 Cb 1.75 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.40 1tm9 h LEU 74 CO 0.20 0.00 -0.17 -1.20 0.09 0.00 0.00 178.44 177.36 1tm9 n SER 75 N -2.51 5.59 0.00 -0.43 7.64 -0.86 -4.14 113.62 118.90 1tm9 n SER 75 Ca -0.02 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1tm9 n SER 75 Cb 0.08 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 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 2.03 0.00 -3.71 6.43 7.64 -1.07 -5.08 113.62 119.87 1tm9 n SER 76 Ca 0.44 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 60.02 1tm9 n SER 76 Cb 0.81 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.59 -3.46 0.00 0.44 0.31 -1.24 -3.49 118.33 109.30 1tm9 n VAL 77 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1tm9 n VAL 77 Cb 0.00 -3.10 0.00 0.00 -0.91 0.00 0.00 33.84 29.83 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 -1.14 1.79 1.00 2.92 0.00 -1.26 -4.21 105.19 104.30 1tm9 n GLY 78 Ca -0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 3.15 2.97 -3.25 4.61 0.00 -1.23 -5.09 120.51 121.67 1tm9 n ALA 79 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1tm9 n ALA 79 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1tm9 n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1tm9 s THR 80 N -1.33 -0.73 0.13 0.00 -1.32 -1.25 -4.81 115.64 106.32 1tm9 s THR 80 Ca -0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1tm9 s THR 80 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1tm9 s THR 80 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1tm9 n GLY 81 N 5.38 -5.38 2.69 6.08 0.00 -1.26 -5.06 105.19 107.64 1tm9 n GLY 81 Ca -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 1.72 0.22 -2.34 1.61 7.27 -1.26 -5.06 117.38 119.53 1tm9 n GLN 82 Ca 0.00 -1.02 0.00 0.00 0.07 0.00 0.00 57.00 56.05 1tm9 n GLN 82 Cb 0.00 -0.30 0.00 0.00 2.41 0.00 0.00 30.24 32.35 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1tm9 n TYR 83 N 2.34 0.00 -0.20 3.69 4.02 -1.26 -4.68 117.16 121.08 1tm9 n TYR 83 Ca 0.10 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.09 1tm9 n TYR 83 Cb 0.65 -0.70 0.40 0.00 -0.02 0.00 0.00 39.34 39.67 1tm9 n TYR 83 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 1tm9 h MET 84 N 3.05 0.63 -0.93 -0.72 2.86 -1.96 -0.43 114.93 117.42 1tm9 h MET 84 Ca 0.00 -0.04 0.21 0.00 -2.06 0.00 0.00 59.70 57.82 1tm9 h MET 84 Cb 0.58 -0.14 -0.12 0.00 0.06 0.00 0.00 31.60 31.98 1tm9 h MET 84 CO 0.00 0.42 0.49 0.00 1.06 0.00 0.00 176.91 178.87 1tm9 h ALA 85 N 1.62 1.55 -0.06 6.32 0.00 -1.95 1.55 119.26 128.28 1tm9 h ALA 85 Ca 0.36 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.42 1tm9 h ALA 85 Cb 0.53 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1tm9 h ALA 85 CO -0.14 -0.25 0.08 0.77 0.00 0.00 0.00 179.25 179.72 1tm9 h SER 86 N 0.53 0.00 -1.02 0.00 0.02 -1.34 -2.59 113.55 109.15 1tm9 h SER 86 Ca 0.57 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.99 1tm9 h SER 86 Cb 1.04 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.42 1tm9 h SER 86 CO -0.47 0.00 0.77 0.33 -1.14 0.00 0.00 176.83 176.32 1tm9 n PHE 87 N -3.72 1.71 0.00 3.45 7.35 0.53 -3.80 117.46 122.98 1tm9 n PHE 87 Ca -0.01 -2.10 0.00 0.00 -0.76 0.00 0.00 57.45 54.58 1tm9 n PHE 87 Cb 0.18 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.52 1tm9 n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1tm9 n PHE 88 N 1.15 -0.00 -0.17 -5.13 3.72 -0.98 -4.81 117.46 111.23 1tm9 n PHE 88 Ca 0.51 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.85 1tm9 n PHE 88 Cb 0.51 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1tm9 n PHE 88 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1tm9 h SER 89 N 0.00 -1.14 0.15 4.37 0.87 -1.66 -2.57 113.55 113.58 1tm9 h SER 89 Ca 0.00 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1tm9 h SER 89 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1tm9 h SER 89 CO 0.00 -0.31 -0.07 0.71 -0.53 0.00 0.00 176.83 176.63 1tm9 h THR 90 N -0.20 0.91 -1.55 2.23 1.35 -1.93 -3.38 112.91 110.34 1tm9 h THR 90 Ca 0.21 -1.15 -0.63 0.00 -0.55 0.00 0.00 66.41 64.29 1tm9 h THR 90 Cb 0.54 1.52 -0.13 0.00 -1.73 0.00 0.00 68.15 68.36 1tm9 h THR 90 CO -0.63 0.23 1.29 0.21 -0.25 0.00 0.00 175.52 176.38 1tm9 s ASN 91 N -5.50 6.56 -0.18 5.36 3.84 -0.98 -4.75 114.94 119.30 1tm9 s ASN 91 Ca -0.13 -1.70 -0.20 0.00 0.21 0.00 0.00 52.86 51.04 1tm9 s ASN 91 Cb 0.00 -2.51 -0.21 0.00 -0.55 0.00 0.00 41.25 37.98 1tm9 s ASN 91 CO 0.50 -1.34 0.30 -1.28 -2.79 0.00 0.00 177.10 172.49 1tm9 h SER 92 N 9.38 0.08 -0.95 -4.21 0.87 -1.73 -2.87 113.55 114.12 1tm9 h SER 92 Ca 0.19 -0.63 0.17 0.00 -1.23 0.00 0.00 61.79 60.30 1tm9 h SER 92 Cb 1.01 -0.03 -0.17 0.00 -0.44 0.00 0.00 62.40 62.77 1tm9 h SER 92 CO 1.32 1.51 -0.29 -0.62 -0.53 0.00 0.00 176.83 178.23 1tm9 n GLU 93 N -4.29 -0.13 -0.03 2.24 1.02 -1.26 0.16 120.64 118.35 1tm9 n GLU 93 Ca -0.30 1.47 -0.14 0.00 -0.02 0.00 0.00 57.16 58.17 1tm9 n GLU 93 Cb 0.73 -2.20 -0.11 0.00 -0.02 0.00 0.00 31.44 29.84 1tm9 n GLU 93 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1tm9 h PRO 94 N 0.00 0.13 -0.85 3.49 0.13 -1.96 -2.90 132.00 130.04 1tm9 h PRO 94 Ca 0.41 -0.12 0.19 0.00 -0.87 0.00 0.00 66.00 65.61 1tm9 h PRO 94 Cb 0.65 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.69 1tm9 h PRO 94 CO -0.96 0.84 0.34 0.00 -0.23 0.00 0.00 178.00 177.99 1tm9 h ALA 95 N 0.29 1.28 0.64 -0.56 0.00 -0.67 1.64 119.26 121.87 1tm9 h ALA 95 Ca -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1tm9 h ALA 95 Cb 0.89 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1tm9 h ALA 95 CO 0.03 -0.31 -0.32 0.82 0.00 0.00 0.00 179.25 179.47 1tm9 h ILE 96 N 0.39 0.35 0.57 0.00 5.03 0.16 0.24 117.51 124.24 1tm9 h ILE 96 Ca 0.51 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 65.22 1tm9 h ILE 96 Cb 0.91 0.35 0.01 0.00 -3.03 0.00 0.00 36.82 35.06 1tm9 h ILE 96 CO -0.51 0.00 -0.28 0.40 -0.68 0.00 0.00 178.15 177.09 1tm9 h ILE 97 N -0.88 0.00 -0.98 -0.67 5.03 -0.82 -1.80 117.51 117.39 1tm9 h ILE 97 Ca -0.09 -0.01 0.34 0.00 -0.12 0.00 0.00 64.86 64.98 1tm9 h ILE 97 Cb 0.68 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.30 1tm9 h ILE 97 CO 0.14 0.00 0.36 0.15 -0.68 0.00 0.00 178.15 178.12 1tm9 h PHE 98 N -0.78 0.54 0.59 1.37 3.57 0.23 0.34 116.94 122.80 1tm9 h PHE 98 Ca -0.08 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1tm9 h PHE 98 Cb 0.59 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1tm9 h PHE 98 CO 0.10 -0.39 -0.40 0.00 -2.23 0.00 0.00 178.31 175.39 1tm9 h VAL 100 N -0.94 0.50 0.05 0.00 2.07 0.38 0.45 116.25 118.76 1tm9 h VAL 100 Ca -0.08 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1tm9 h VAL 100 Cb 0.76 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1tm9 h VAL 100 CO 0.06 0.08 -0.16 0.40 0.02 0.00 0.00 177.57 177.97 1tm9 h ILE 101 N 0.46 0.62 0.81 4.57 1.08 0.08 -1.46 117.51 123.67 1tm9 h ILE 101 Ca 0.59 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 65.02 1tm9 h ILE 101 Cb 1.12 0.62 0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1tm9 h ILE 101 CO -0.51 0.00 -0.39 0.22 -0.69 0.00 0.00 178.15 176.78 1tm9 h TYR 102 N -0.29 -1.00 -0.95 1.37 3.20 0.22 -1.40 116.97 118.12 1tm9 h TYR 102 Ca 0.04 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.06 1tm9 h TYR 102 Cb 0.33 0.33 -0.17 0.00 1.54 0.00 0.00 36.73 38.76 1tm9 h TYR 102 CO -0.19 -0.61 -0.27 0.34 -1.64 0.00 0.00 178.16 175.78 1tm9 n PHE 103 N -5.53 0.26 0.00 -3.82 7.35 0.12 0.10 117.46 115.95 1tm9 n PHE 103 Ca -0.15 1.16 -0.00 0.00 -0.76 0.00 0.00 57.45 57.70 1tm9 n PHE 103 Cb 0.44 -1.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.26 1tm9 n PHE 103 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1tm9 h LEU 104 N 0.00 -0.01 -0.97 -2.13 3.38 -1.15 0.64 115.31 115.06 1tm9 h LEU 104 Ca 0.42 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.51 1tm9 h LEU 104 Cb 0.66 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.28 1tm9 h LEU 104 CO -0.97 -0.01 -0.50 -1.22 0.09 0.00 0.00 178.44 175.84 1tm9 n TYR 105 N -2.03 -0.24 0.09 1.13 4.01 -0.54 0.20 117.16 119.78 1tm9 n TYR 105 Ca -0.00 1.21 -0.16 0.00 -0.16 0.00 0.00 57.90 58.79 1tm9 n TYR 105 Cb 0.00 -0.69 -0.10 0.00 -0.31 0.00 0.00 39.34 38.24 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 -1.52 0.47 -0.72 3.86 0.64 -2.96 115.15 114.92 1tm9 h HIS 106 Ca 0.23 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1tm9 h HIS 106 Cb 0.47 0.65 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 1tm9 h HIS 106 CO -0.94 -0.59 -0.42 0.74 0.86 0.00 0.00 177.93 177.58 1tm9 h PHE 107 N -0.72 -1.16 0.00 2.45 -1.00 0.16 -3.48 116.94 113.19 1tm9 h PHE 107 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1tm9 h PHE 107 Cb 0.75 0.44 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1tm9 h PHE 107 CO -0.47 -0.57 0.00 0.41 -1.61 0.00 0.00 178.31 176.07 1tm9 n GLY 108 N -1.48 0.08 1.74 -1.45 0.00 0.52 -5.06 105.19 99.55 1tm9 n GLY 108 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1tm9 n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tm9 n PHE 109 N 0.00 -0.72 -1.73 1.61 3.72 -1.07 -5.00 117.46 114.27 1tm9 n PHE 109 Ca 0.00 0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 1tm9 n PHE 109 Cb 0.00 0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1tm9 n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1tm9 n LEU 110 N -2.96 4.14 -4.44 4.37 0.00 -1.26 -4.96 117.00 111.89 1tm9 n LEU 110 Ca 0.00 1.10 -0.35 0.00 0.00 0.00 0.00 56.01 56.76 1tm9 n LEU 110 Cb 0.08 -1.58 -0.13 0.00 0.00 0.00 0.00 43.42 41.80 1tm9 n LEU 110 CO 0.00 0.17 -0.34 -0.75 0.00 0.00 0.00 177.39 176.47 1tm9 s LYS 111 N 0.49 3.60 -0.17 1.96 2.20 -1.26 -4.73 119.74 121.83 1tm9 s LYS 111 Ca 0.71 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.75 1tm9 s LYS 111 Cb -0.50 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 32.81 1tm9 s LYS 111 CO 0.39 0.01 0.06 0.34 -0.36 0.00 0.00 175.35 175.78 1tm9 s ASP 112 N 1.01 2.55 -0.86 1.43 -1.08 -1.26 -4.69 116.67 113.77 1tm9 s ASP 112 Ca 0.02 -0.67 -0.15 0.00 -0.52 0.00 0.00 52.55 51.23 1tm9 s ASP 112 Cb -0.14 -0.42 0.20 0.00 -1.46 0.00 0.00 42.92 41.09 1tm9 s ASP 112 CO 0.02 -0.32 0.86 0.21 0.52 0.00 0.00 175.17 176.46 1tm9 s ASN 113 N 1.99 6.74 0.26 -0.34 2.47 -1.26 -4.60 114.94 120.21 1tm9 s ASN 113 Ca 0.01 -2.55 0.00 0.00 0.42 0.00 0.00 52.86 50.74 1tm9 s ASN 113 Cb -0.16 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 1tm9 s ASN 113 CO -0.08 -0.69 0.00 -3.20 -3.72 0.00 0.00 177.10 169.41 1tm9 n ASN 114 N 4.58 -0.08 0.00 -4.21 2.85 -1.26 -5.09 115.26 112.04 1tm9 n ASN 114 Ca 0.17 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 1tm9 n ASN 114 Cb 0.47 0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.83 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 -3.40 0.00 0.00 1.20 3.00 -1.26 -5.09 118.16 112.61 1tm9 n LYS 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1tm9 n LYS 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1tm9 n LYS 115 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1tm9 n LYS 116 N -0.92 0.00 0.03 1.64 4.81 -1.26 -5.01 118.16 117.45 1tm9 n LYS 116 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1tm9 n LYS 116 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1tm9 n LYS 116 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1tm9 n GLN 117 N -0.50 0.00 0.00 1.64 6.02 -1.26 -4.90 117.38 118.38 1tm9 n GLN 117 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1tm9 n GLN 117 Cb 0.00 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 30.76 1tm9 n GLN 117 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1tm9 n ILE 118 N -3.33 0.00 0.24 5.09 3.06 -1.26 0.19 119.36 123.35 1tm9 n ILE 118 Ca 0.00 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.14 1tm9 n ILE 118 Cb 0.17 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.30 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 -1.96 9.51 1.08 -1.97 0.00 117.51 124.18 1tm9 h ILE 119 Ca 0.00 0.00 0.57 0.00 -0.39 0.00 0.00 64.86 65.04 1tm9 h ILE 119 Cb 0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.67 1tm9 h ILE 119 CO 0.00 0.00 1.40 0.50 -0.69 0.00 0.00 178.15 179.36 1tm9 h LYS 120 N -0.66 0.00 0.15 2.37 3.11 0.17 0.46 116.57 122.17 1tm9 h LYS 120 Ca -0.06 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1tm9 h LYS 120 Cb 0.52 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1tm9 h LYS 120 CO 0.07 0.00 -0.07 -0.22 -2.81 0.00 0.00 179.45 176.42 1tm9 h LYS 121 N 0.00 -0.19 0.05 1.90 1.63 -0.20 -2.50 116.57 117.26 1tm9 h LYS 121 Ca 0.94 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.76 1tm9 h LYS 121 Cb 3.75 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 35.39 1tm9 h LYS 121 CO -0.03 -0.13 -0.28 0.00 -3.45 0.00 0.00 179.45 175.56 1tm9 h ALA 122 N -1.65 -0.78 -0.93 5.00 0.00 0.15 1.23 119.26 122.27 1tm9 h ALA 122 Ca -0.02 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.03 1tm9 h ALA 122 Cb 0.15 0.70 -0.18 0.00 0.00 0.00 0.00 17.79 18.46 1tm9 h ALA 122 CO 0.03 -0.85 -0.19 0.66 0.00 0.00 0.00 179.25 178.90 1tm9 n TYR 123 N -4.04 0.38 -0.01 0.00 4.02 0.12 0.21 117.16 117.84 1tm9 n TYR 123 Ca -0.04 1.14 -0.08 0.00 -0.01 0.00 0.00 57.90 58.91 1tm9 n TYR 123 Cb 0.22 -1.07 0.09 0.00 -0.02 0.00 0.00 39.34 38.56 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 0.57 -0.61 -0.72 4.22 -0.85 -1.97 114.58 115.21 1tm9 h GLU 124 Ca 0.47 -0.30 0.18 0.00 0.08 0.00 0.00 59.36 59.78 1tm9 h GLU 124 Cb 0.76 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1tm9 h GLU 124 CO -0.95 0.89 0.54 0.00 -2.18 0.00 0.00 179.01 177.32 1tm9 h THR 125 N 0.46 0.45 0.00 0.32 1.03 1.21 0.46 112.91 116.84 1tm9 h THR 125 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 1tm9 h THR 125 Cb 0.94 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 1tm9 h THR 125 CO 0.08 0.00 -0.54 -0.38 -0.01 0.00 0.00 175.52 174.67 1tm9 n ILE 126 N -3.93 1.30 -0.60 0.00 5.41 -0.70 -2.09 119.36 118.76 1tm9 n ILE 126 Ca 0.12 0.23 0.46 0.00 1.00 0.00 0.00 62.75 64.56 1tm9 n ILE 126 Cb 0.78 -2.31 0.72 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 -3.64 1.62 -0.04 -1.39 0.00 -0.77 0.21 120.51 116.50 1tm9 n ALA 127 Ca -0.08 0.65 -0.02 0.00 0.00 0.00 0.00 53.44 53.99 1tm9 n ALA 127 Cb 0.28 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1tm9 n ALA 127 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1tm9 h ASP 128 N 0.00 0.00 -0.80 0.00 3.58 -1.07 -3.23 116.42 114.90 1tm9 h ASP 128 Ca 0.85 0.00 0.18 0.00 0.42 0.00 0.00 57.03 58.48 1tm9 h ASP 128 Cb 3.25 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 44.16 1tm9 h ASP 128 CO -0.11 0.46 -0.06 0.78 -2.88 0.00 0.00 179.24 177.43 1tm9 h ASN 129 N -0.66 -0.49 -0.87 2.28 2.35 -0.13 1.56 115.58 119.62 1tm9 h ASN 129 Ca 0.00 0.22 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 1tm9 h ASN 129 Cb 0.26 0.41 -0.07 0.00 0.05 0.00 0.00 38.32 38.97 1tm9 h ASN 129 CO 0.00 -0.23 0.56 -0.29 -1.65 0.00 0.00 177.43 175.82 1tm9 h ILE 130 N 0.06 0.88 0.00 2.81 2.10 0.23 1.32 117.51 124.90 1tm9 h ILE 130 Ca 0.43 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 66.12 1tm9 h ILE 130 Cb 0.74 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 1tm9 h ILE 130 CO -0.75 0.13 0.00 0.00 -1.08 0.00 0.00 178.15 176.46 1tm9 n ALA 131 N -2.43 1.99 0.06 0.18 0.00 0.52 -1.83 120.51 119.00 1tm9 n ALA 131 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1tm9 n ALA 131 Cb 0.42 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 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 0.00 0.21 0.00 3.58 0.26 -3.30 116.42 117.18 1tm9 h ASP 132 Ca 0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 1tm9 h ASP 132 Cb 0.16 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1tm9 h ASP 132 CO 0.00 0.84 -2.02 -1.22 -2.88 0.00 0.00 179.24 173.96 1tm9 n TYR 133 N -3.22 0.84 0.00 0.28 4.01 -0.76 -4.63 117.16 113.68 1tm9 n TYR 133 Ca -0.03 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1tm9 n TYR 133 Cb 0.90 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 1tm9 n TYR 133 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1tm9 n LEU 134 N -3.21 0.00 0.00 7.72 4.77 -0.79 -5.02 117.00 120.47 1tm9 n LEU 134 Ca -0.29 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1tm9 n LEU 134 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1tm9 n LEU 134 CO 0.41 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.27 1tm9 n ASN 135 N -0.40 0.00 -1.19 -1.43 5.15 -1.24 -4.97 115.26 111.17 1tm9 n ASN 135 Ca 0.00 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.02 1tm9 n ASN 135 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tm9 n GLU 136 N -0.18 0.35 0.00 1.20 1.02 -1.26 -4.86 120.64 116.91 1tm9 n GLU 136 Ca 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1tm9 n GLU 136 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1tm9 n GLU 136 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58