#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 -3.91 0.03 -0.58 -1.26 -4.94 120.64 109.99 1tm9 n GLU 2 Ca 0.00 0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.53 1tm9 n GLU 2 Cb 0.00 -0.61 -0.01 0.00 -0.57 0.00 0.00 31.44 30.25 1tm9 n GLU 2 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1tm9 n GLN 3 N -0.64 -3.40 -2.58 3.49 7.27 -1.26 -4.97 117.38 115.31 1tm9 n GLN 3 Ca 0.00 0.43 -0.15 0.00 0.07 0.00 0.00 57.00 57.35 1tm9 n GLN 3 Cb 0.00 -4.58 0.05 0.00 2.41 0.00 0.00 30.24 28.11 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1tm9 n ASN 4 N -2.98 1.68 0.00 1.69 6.94 -1.26 -4.93 115.26 116.39 1tm9 n ASN 4 Ca -0.30 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.06 1tm9 n ASN 4 Cb 0.68 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1tm9 n ASN 5 N -2.43 0.00 -0.28 0.53 4.13 -1.26 -4.87 115.26 111.08 1tm9 n ASN 5 Ca 0.11 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.45 1tm9 n ASN 5 Cb 0.46 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.92 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 0.60 -0.94 2.41 1.08 -1.99 0.53 117.51 119.20 1tm9 h ILE 6 Ca 0.00 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1tm9 h ILE 6 Cb 0.00 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.82 1tm9 h ILE 6 CO 0.00 0.08 0.62 0.11 -0.69 0.00 0.00 178.15 178.28 1tm9 h LYS 7 N 0.45 1.24 0.00 2.37 1.79 -1.99 -0.52 116.57 119.90 1tm9 h LYS 7 Ca 0.46 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.79 1tm9 h LYS 7 Cb 0.76 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1tm9 h LYS 7 CO -0.44 0.82 -0.33 1.49 -1.08 0.00 0.00 179.45 179.90 1tm9 h GLU 8 N 1.27 0.00 0.00 3.15 4.22 -0.45 -1.88 114.58 120.90 1tm9 h GLU 8 Ca 0.35 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.72 1tm9 h GLU 8 Cb -0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1tm9 h GLU 8 CO -0.08 0.33 -0.29 -0.56 -2.18 0.00 0.00 179.01 176.24 1tm9 h GLN 9 N 0.00 0.00 -0.08 1.92 -0.00 0.94 -2.28 115.11 115.61 1tm9 h GLN 9 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.53 1tm9 h GLN 9 Cb 0.61 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.09 1tm9 h GLN 9 CO 0.04 0.29 -0.39 -0.07 -0.00 0.00 0.00 178.83 178.70 1tm9 h LEU 10 N 0.00 0.49 0.35 0.06 3.38 -0.58 -2.89 115.31 116.11 1tm9 h LEU 10 Ca -0.00 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1tm9 h LEU 10 Cb 0.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1tm9 h LEU 10 CO 0.04 1.05 -0.17 0.40 0.09 0.00 0.00 178.44 179.85 1tm9 h ILE 11 N -0.05 0.00 -0.82 1.22 5.03 -1.34 -2.05 117.51 119.51 1tm9 h ILE 11 Ca -0.03 -0.01 0.17 0.00 -0.12 0.00 0.00 64.86 64.88 1tm9 h ILE 11 Cb 1.04 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.67 1tm9 h ILE 11 CO 0.08 0.00 -0.18 -0.24 -0.68 0.00 0.00 178.15 177.13 1tm9 n SER 12 N -3.28 -0.28 0.00 1.72 2.88 -0.87 0.24 113.62 114.03 1tm9 n SER 12 Ca -0.06 1.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1tm9 n SER 12 Cb 0.19 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 -5.31 0.00 -0.41 0.66 3.72 -1.09 -1.78 117.46 113.24 1tm9 n PHE 13 Ca 0.14 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.88 1tm9 n PHE 13 Cb 0.43 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.61 -0.92 1.38 3.04 -1.08 1.81 116.94 121.78 1tm9 h PHE 14 Ca 0.00 0.03 0.18 0.00 3.98 0.00 0.00 57.97 62.16 1tm9 h PHE 14 Cb 0.00 -0.15 -0.08 0.00 2.56 0.00 0.00 35.95 38.28 1tm9 h PHE 14 CO 0.00 -0.23 0.59 -0.97 -2.02 0.00 0.00 178.31 175.68 1tm9 h ASN 15 N 0.11 0.57 0.27 0.41 -0.73 0.32 1.66 115.58 118.19 1tm9 h ASN 15 Ca 0.81 0.05 0.00 0.00 1.87 0.00 0.00 56.30 59.03 1tm9 h ASN 15 Cb 2.41 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.94 1tm9 h ASN 15 CO -0.48 0.25 0.00 0.00 -0.37 0.00 0.00 177.43 176.82 1tm9 n GLN 16 N -4.58 0.28 0.00 6.67 6.02 0.62 -3.58 117.38 122.81 1tm9 n GLN 16 Ca 0.20 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1tm9 n GLN 16 Cb 0.59 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 -1.25 0.85 -3.77 -1.58 0.00 0.54 -4.79 120.51 110.51 1tm9 n ALA 17 Ca 0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 1tm9 n ALA 17 Cb 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.43 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 4.43 1.89 -3.88 0.00 3.41 -1.23 -4.60 113.62 113.63 1tm9 n SER 19 Ca 0.02 0.32 -0.35 0.00 -0.26 0.00 0.00 58.87 58.59 1tm9 n SER 19 Cb 0.40 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1tm9 n SER 19 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tm9 n THR 20 N -4.35 0.00 0.10 6.66 -2.24 -1.26 -4.84 114.28 108.35 1tm9 n THR 20 Ca -0.25 -0.46 -0.04 0.00 -2.27 0.00 0.00 64.05 61.02 1tm9 n THR 20 Cb 0.61 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.24 -0.27 -0.93 4.78 3.86 -2.01 -3.15 115.15 117.19 1tm9 h HIS 21 Ca -0.39 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.10 1tm9 h HIS 21 Cb 1.31 0.09 -0.17 0.00 1.06 0.00 0.00 27.41 29.69 1tm9 h HIS 21 CO 0.21 -0.17 0.12 1.04 0.86 0.00 0.00 177.93 179.99 1tm9 n GLN 22 N -3.62 -0.07 -0.18 2.45 1.13 -1.26 0.18 117.38 116.01 1tm9 n GLN 22 Ca -0.04 1.37 -0.01 0.00 -1.94 0.00 0.00 57.00 56.39 1tm9 n GLN 22 Cb 0.11 -2.24 0.08 0.00 0.11 0.00 0.00 30.24 28.31 1tm9 n GLN 22 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1tm9 h GLU 23 N 0.00 0.16 0.04 -1.09 3.07 -1.92 0.16 114.58 115.01 1tm9 h GLU 23 Ca 0.61 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.47 1tm9 h GLU 23 Cb 1.36 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.20 1tm9 h GLU 23 CO -0.84 0.11 -0.35 0.00 -1.40 0.00 0.00 179.01 176.52 1tm9 h ARG 24 N 0.17 -0.46 -0.01 2.33 2.47 0.20 0.46 114.38 119.54 1tm9 h ARG 24 Ca 0.29 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1tm9 h ARG 24 Cb 0.43 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1tm9 h ARG 24 CO -0.43 -0.30 0.28 -0.07 0.56 0.00 0.00 179.97 180.01 1tm9 h LEU 25 N -0.47 0.00 -0.19 3.04 3.38 -1.24 1.19 115.31 121.01 1tm9 h LEU 25 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1tm9 h LEU 25 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1tm9 h LEU 25 CO -0.21 0.00 -0.81 -0.78 0.09 0.00 0.00 178.44 176.73 1tm9 h ASP 26 N 0.00 0.00 0.11 -0.43 3.58 0.18 -3.26 116.42 116.60 1tm9 h ASP 26 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1tm9 h ASP 26 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1tm9 h ASP 26 CO -0.00 0.81 -0.05 0.15 -2.88 0.00 0.00 179.24 177.26 1tm9 h PHE 27 N 0.00 -0.14 -0.97 0.28 3.57 0.42 0.15 116.94 120.25 1tm9 h PHE 27 Ca -0.01 -0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.84 1tm9 h PHE 27 Cb 1.53 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 40.21 1tm9 h PHE 27 CO 0.00 -0.09 0.61 0.44 -2.23 0.00 0.00 178.31 177.04 1tm9 n ILE 28 N -3.24 -0.22 -0.05 1.41 -5.35 -0.91 0.13 119.36 111.13 1tm9 n ILE 28 Ca -0.02 1.39 -0.01 0.00 -0.27 0.00 0.00 62.75 63.84 1tm9 n ILE 28 Cb 0.06 -2.27 -0.01 0.00 -1.74 0.00 0.00 39.64 35.69 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 -1.31 -0.82 0.00 4.64 0.39 1.13 113.55 116.59 1tm9 h SER 30 Ca -0.00 0.25 0.25 0.00 -0.47 0.00 0.00 61.79 61.82 1tm9 h SER 30 Cb 0.05 0.64 -0.15 0.00 -0.31 0.00 0.00 62.40 62.64 1tm9 h SER 30 CO -0.00 -0.31 0.10 0.41 -0.87 0.00 0.00 176.83 176.16 1tm9 n THR 31 N -5.43 -0.34 -1.64 2.95 -1.04 0.35 0.19 114.28 109.31 1tm9 n THR 31 Ca 0.05 1.77 -0.00 0.00 -2.04 0.00 0.00 64.05 63.83 1tm9 n THR 31 Cb 0.36 -2.64 0.18 0.00 -1.82 0.00 0.00 70.33 66.42 1tm9 n THR 31 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tm9 n ARG 32 N -5.10 1.92 -1.85 -2.82 5.12 0.12 -4.61 116.66 109.44 1tm9 n ARG 32 Ca 0.21 -3.42 -0.02 0.00 -1.93 0.00 0.00 57.85 52.70 1tm9 n ARG 32 Cb 0.71 -1.75 0.05 0.00 -1.16 0.00 0.00 32.46 30.31 1tm9 n ARG 32 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1tm9 n GLU 33 N -1.06 0.59 0.00 5.56 2.13 0.51 -5.00 120.64 123.36 1tm9 n GLU 33 Ca 0.25 -0.63 0.00 0.00 0.66 0.00 0.00 57.16 57.44 1tm9 n GLU 33 Cb 0.77 0.29 0.00 0.00 0.27 0.00 0.00 31.44 32.77 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1tm9 n SER 34 N -0.67 0.00 0.05 4.31 3.41 0.33 -4.37 113.62 116.67 1tm9 n SER 34 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1tm9 n SER 34 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1tm9 n SER 34 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tm9 n ASP 35 N 0.00 -0.82 0.00 4.04 2.03 -1.26 -5.10 116.55 115.44 1tm9 n ASP 35 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1tm9 n ASP 35 Cb 0.00 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 1tm9 n ASP 35 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1tm9 n THR 36 N -2.61 0.00 -0.67 5.18 5.66 -1.26 -5.07 114.28 115.51 1tm9 n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1tm9 n THR 36 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1tm9 n THR 36 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1tm9 n PHE 37 N 0.00 0.00 -2.14 1.09 3.72 -1.26 -4.75 117.46 114.12 1tm9 n PHE 37 Ca 0.00 -0.10 0.03 0.00 -0.05 0.00 0.00 57.45 57.33 1tm9 n PHE 37 Cb 0.00 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.10 0.70 -0.44 4.37 2.88 -1.26 -4.76 113.62 115.01 1tm9 n SER 38 Ca 0.00 -2.19 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 1tm9 n SER 38 Cb 0.32 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.06 0.00 -4.52 -3.46 2.88 -1.26 -4.90 113.62 102.42 1tm9 n SER 39 Ca 0.05 -1.50 -0.30 0.00 -1.33 0.00 0.00 58.87 55.79 1tm9 n SER 39 Cb 0.89 -0.10 0.21 0.00 -0.75 0.00 0.00 64.21 64.46 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 0.00 0.00 -0.38 2.46 0.31 -1.26 -4.84 118.33 114.62 1tm9 n VAL 40 Ca 0.00 -0.25 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1tm9 n VAL 40 Cb 0.60 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 -4.05 -0.73 -4.72 4.52 2.03 -1.26 -4.28 116.55 108.06 1tm9 n ASP 41 Ca 0.06 1.68 -0.42 0.00 0.52 0.00 0.00 54.79 56.63 1tm9 n ASP 41 Cb 0.54 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 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 -5.36 0.58 -2.54 5.18 3.14 -1.26 -4.95 118.33 113.12 1tm9 n VAL 42 Ca 0.08 -0.14 -0.35 0.00 -2.96 0.00 0.00 64.34 60.96 1tm9 n VAL 42 Cb 0.35 -1.90 -0.04 0.00 -1.06 0.00 0.00 33.84 31.19 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 0.20 3.91 0.06 1.45 0.04 -1.26 -4.84 135.00 134.55 1tm9 s PRO 43 Ca 0.69 1.41 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1tm9 s PRO 43 Cb -0.53 -2.23 -0.26 0.00 0.04 0.00 0.00 34.50 31.53 1tm9 s PRO 43 CO 0.42 -0.35 1.05 -0.07 0.04 0.00 0.00 177.00 178.09 1tm9 h LEU 44 N 1.83 0.26 -0.88 -3.56 3.38 -1.90 -2.89 115.31 111.56 1tm9 h LEU 44 Ca -0.49 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.27 1tm9 h LEU 44 Cb 1.22 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 1tm9 h LEU 44 CO 0.60 1.25 -0.52 -0.33 0.09 0.00 0.00 178.44 179.53 1tm9 h GLU 45 N 0.04 -0.07 0.01 1.13 5.08 -1.98 1.60 114.58 120.38 1tm9 h GLU 45 Ca -0.14 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1tm9 h GLU 45 Cb 1.93 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1tm9 h GLU 45 CO 0.16 -0.05 -0.00 -1.00 -1.00 0.00 0.00 179.01 177.12 1tm9 h PRO 46 N -0.08 -0.01 -0.54 2.33 0.13 -1.87 -3.30 132.00 128.67 1tm9 h PRO 46 Ca 0.19 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.42 1tm9 h PRO 46 Cb 0.49 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.52 1tm9 h PRO 46 CO -0.88 0.73 -0.36 0.82 -0.23 0.00 0.00 178.00 178.08 1tm9 h ILE 47 N -0.76 0.16 -0.53 -3.56 1.08 -1.19 1.73 117.51 114.45 1tm9 h ILE 47 Ca -0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 1tm9 h ILE 47 Cb 0.74 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1tm9 h ILE 47 CO 0.00 0.00 0.77 0.11 -0.69 0.00 0.00 178.15 178.35 1tm9 h LYS 48 N -0.21 0.00 0.06 2.37 1.57 0.22 1.73 116.57 122.32 1tm9 h LYS 48 Ca 0.20 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.78 1tm9 h LYS 48 Cb 0.55 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.88 1tm9 h LYS 48 CO -0.65 0.00 -0.84 -0.97 -0.57 0.00 0.00 179.45 176.42 1tm9 h ASN 49 N 0.00 0.63 0.64 0.86 -0.73 0.25 -3.23 115.58 114.01 1tm9 h ASN 49 Ca 0.25 -0.82 -0.13 0.00 1.87 0.00 0.00 56.30 57.47 1tm9 h ASN 49 Cb 1.80 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 40.17 1tm9 h ASN 49 CO -0.00 1.38 -0.60 0.16 -0.37 0.00 0.00 177.43 177.99 1tm9 h ILE 50 N -0.03 1.41 -0.35 2.57 3.07 0.29 -2.70 117.51 121.77 1tm9 h ILE 50 Ca -0.12 -2.09 0.10 0.00 1.55 0.00 0.00 64.86 64.30 1tm9 h ILE 50 Cb 1.57 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 40.24 1tm9 h ILE 50 CO 0.16 0.59 0.34 0.40 -1.05 0.00 0.00 178.15 178.59 1tm9 h ILE 51 N 0.00 0.49 0.00 0.16 2.04 0.23 0.73 117.51 121.16 1tm9 h ILE 51 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1tm9 h ILE 51 Cb 1.09 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1tm9 h ILE 51 CO 0.08 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.61 1tm9 n GLU 52 N -3.89 0.06 -0.29 2.37 1.02 -1.02 -1.72 120.64 117.17 1tm9 n GLU 52 Ca 0.06 0.46 -0.06 0.00 -0.02 0.00 0.00 57.16 57.59 1tm9 n GLU 52 Cb 0.50 -1.65 0.06 0.00 -0.02 0.00 0.00 31.44 30.34 1tm9 n GLU 52 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1tm9 h ILE 53 N 0.00 1.26 -0.52 -3.67 6.09 0.30 -2.25 117.51 118.72 1tm9 h ILE 53 Ca 0.00 -0.84 -0.11 0.00 -1.37 0.00 0.00 64.86 62.54 1tm9 h ILE 53 Cb 0.11 0.34 -0.07 0.00 0.47 0.00 0.00 36.82 37.67 1tm9 h ILE 53 CO 0.00 0.34 0.10 0.35 -3.07 0.00 0.00 178.15 175.88 1tm9 n THR 54 N -4.28 2.67 -0.11 2.19 -2.24 -0.70 -4.63 114.28 107.19 1tm9 n THR 54 Ca 0.07 -1.81 -0.06 0.00 -2.27 0.00 0.00 64.05 59.98 1tm9 n THR 54 Cb 0.20 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 2.43 -0.17 -7.30 -0.78 2.10 -1.31 -3.42 116.57 108.12 1tm9 h LYS 55 Ca 0.14 0.01 -0.46 0.00 -2.00 0.00 0.00 60.65 58.34 1tm9 h LYS 55 Cb 1.93 0.04 0.17 0.00 -0.90 0.00 0.00 32.23 33.47 1tm9 h LYS 55 CO 0.50 -0.11 0.17 -0.51 -2.00 0.00 0.00 179.45 177.50 1tm9 s ASP 56 N -5.10 2.48 -0.19 7.07 1.11 -1.26 -5.00 116.67 115.77 1tm9 s ASP 56 Ca -0.15 1.37 -0.21 0.00 0.18 0.00 0.00 52.55 53.74 1tm9 s ASP 56 Cb 0.14 -2.06 -0.19 0.00 1.07 0.00 0.00 42.92 41.89 1tm9 s ASP 56 CO 0.69 -3.25 0.27 -0.08 1.18 0.00 0.00 175.17 173.98 1tm9 h GLU 57 N -1.97 0.00 -0.59 8.23 4.81 -1.99 -3.32 114.58 119.74 1tm9 h GLU 57 Ca -0.54 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.86 1tm9 h GLU 57 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1tm9 h GLU 57 CO 0.55 0.90 0.66 -2.95 -0.73 0.00 0.00 179.01 177.43 1tm9 h ASN 58 N -1.00 0.00 0.10 1.04 7.08 -1.94 0.31 115.58 121.16 1tm9 h ASN 58 Ca -0.26 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.96 1tm9 h ASN 58 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1tm9 h ASN 58 CO -0.16 0.00 -0.05 1.56 -2.08 0.00 0.00 177.43 176.71 1tm9 h GLN 59 N 0.00 -0.13 -0.77 4.14 7.50 -1.90 -1.43 115.11 122.51 1tm9 h GLN 59 Ca 0.28 0.01 0.17 0.00 0.50 0.00 0.00 58.65 59.61 1tm9 h GLN 59 Cb 1.60 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 29.04 1tm9 h GLN 59 CO -0.00 0.27 0.22 1.96 -1.50 0.00 0.00 178.83 179.78 1tm9 h GLN 60 N -0.57 0.29 0.56 1.46 4.20 -0.49 1.51 115.11 122.08 1tm9 h GLN 60 Ca -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1tm9 h GLN 60 Cb 0.46 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.18 1tm9 h GLN 60 CO 0.02 0.19 -0.27 0.82 -0.67 0.00 0.00 178.83 178.93 1tm9 h ILE 61 N 0.30 0.00 -0.45 2.54 2.04 -1.45 -0.84 117.51 119.65 1tm9 h ILE 61 Ca 0.44 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 66.32 1tm9 h ILE 61 Cb 0.77 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1tm9 h ILE 61 CO -0.51 0.00 0.44 -0.33 0.00 0.00 0.00 178.15 177.75 1tm9 h GLU 62 N -0.86 0.00 -0.02 2.37 3.07 -0.61 0.10 114.58 118.63 1tm9 h GLU 62 Ca -0.08 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1tm9 h GLU 62 Cb 0.58 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1tm9 h GLU 62 CO 0.13 0.00 -0.01 0.82 -1.40 0.00 0.00 179.01 178.55 1tm9 h ILE 63 N 0.00 1.33 -0.36 3.13 2.04 0.25 0.12 117.51 124.02 1tm9 h ILE 63 Ca 0.21 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.16 1tm9 h ILE 63 Cb 1.10 1.96 -0.09 0.00 -0.74 0.00 0.00 36.82 39.05 1tm9 h ILE 63 CO -0.00 0.26 -0.32 0.74 0.00 0.00 0.00 178.15 178.82 1tm9 h THR 64 N -0.37 0.24 -0.68 -0.27 2.02 0.66 0.94 112.91 115.45 1tm9 h THR 64 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1tm9 h THR 64 Cb 0.43 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1tm9 h THR 64 CO 0.00 0.00 0.19 0.11 0.37 0.00 0.00 175.52 176.19 1tm9 h LYS 65 N -0.27 1.06 -0.46 6.66 6.56 -1.50 -2.46 116.57 126.15 1tm9 h LYS 65 Ca 0.16 -0.23 0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1tm9 h LYS 65 Cb 0.54 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.01 1tm9 h LYS 65 CO -0.51 0.92 0.25 0.82 -2.06 0.00 0.00 179.45 178.87 1tm9 h ILE 66 N 1.01 1.00 -0.46 1.86 2.04 0.16 -1.50 117.51 121.63 1tm9 h ILE 66 Ca 0.22 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.98 1tm9 h ILE 66 Cb 0.32 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 1tm9 h ILE 66 CO -0.00 0.09 0.08 0.00 0.00 0.00 0.00 178.15 178.32 1tm9 h ALA 67 N 1.23 0.50 -0.30 1.87 0.00 0.12 -1.25 119.26 121.43 1tm9 h ALA 67 Ca 0.19 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1tm9 h ALA 67 Cb 0.07 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1tm9 h ALA 67 CO -0.12 -0.32 -0.11 0.28 0.00 0.00 0.00 179.25 178.98 1tm9 h VAL 68 N 0.21 0.63 -0.83 0.00 2.07 -0.95 1.60 116.25 118.98 1tm9 h VAL 68 Ca 0.23 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.87 1tm9 h VAL 68 Cb 0.30 0.63 -0.13 0.00 -1.52 0.00 0.00 31.29 30.56 1tm9 h VAL 68 CO -0.31 0.00 -0.33 -3.20 0.02 0.00 0.00 177.57 173.75 1tm9 n ASN 69 N -5.29 -0.55 -0.06 0.57 5.15 -0.48 0.21 115.26 114.81 1tm9 n ASN 69 Ca 0.00 1.44 -0.05 0.00 -0.60 0.00 0.00 54.58 55.37 1tm9 n ASN 69 Cb 0.20 -0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 39.08 1tm9 n ASN 69 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1tm9 h ASN 70 N 0.00 0.00 -0.71 1.20 7.08 -1.18 -3.22 115.58 118.74 1tm9 h ASN 70 Ca 0.28 -0.33 0.06 0.00 -3.08 0.00 0.00 56.30 53.23 1tm9 h ASN 70 Cb 0.49 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.64 1tm9 h ASN 70 CO -0.82 0.68 -0.42 -0.38 -2.08 0.00 0.00 177.43 174.42 1tm9 n ILE 71 N -4.72 -0.48 -0.31 6.14 2.08 0.54 0.20 119.36 122.81 1tm9 n ILE 71 Ca -0.04 2.06 0.18 0.00 0.56 0.00 0.00 62.75 65.51 1tm9 n ILE 71 Cb 0.17 -2.58 0.36 0.00 -0.75 0.00 0.00 39.64 36.84 1tm9 n ILE 71 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1tm9 h LYS 72 N 0.00 0.21 -0.17 0.38 3.11 0.23 1.48 116.57 121.80 1tm9 h LYS 72 Ca 0.11 -0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.81 1tm9 h LYS 72 Cb 0.29 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1tm9 h LYS 72 CO -0.67 0.14 -0.46 1.15 -2.81 0.00 0.00 179.45 176.80 1tm9 h THR 73 N 0.21 1.32 -0.02 1.00 2.02 0.23 -2.50 112.91 115.18 1tm9 h THR 73 Ca 0.63 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1tm9 h THR 73 Cb 1.36 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1tm9 h THR 73 CO -0.67 0.51 0.33 -0.07 0.37 0.00 0.00 175.52 175.99 1tm9 h LEU 74 N 0.35 0.00 -3.62 2.58 3.38 1.10 -0.29 115.31 118.80 1tm9 h LEU 74 Ca 0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 1tm9 h LEU 74 Cb 0.94 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1tm9 h LEU 74 CO 0.08 0.00 0.30 -0.24 0.09 0.00 0.00 178.44 178.67 1tm9 n SER 75 N -2.92 6.23 -1.05 -0.43 2.88 -0.94 -3.43 113.62 113.96 1tm9 n SER 75 Ca -0.02 -2.96 -0.03 0.00 -1.33 0.00 0.00 58.87 54.54 1tm9 n SER 75 Cb 0.39 -1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 62.71 1tm9 n SER 75 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tm9 n SER 76 N 0.74 -0.55 -4.54 -3.46 2.88 -0.12 -5.10 113.62 103.47 1tm9 n SER 76 Ca 0.30 -1.14 -0.43 0.00 -1.33 0.00 0.00 58.87 56.27 1tm9 n SER 76 Cb 0.58 0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 64.18 1tm9 n SER 76 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1tm9 s VAL 77 N 0.01 4.67 0.60 2.46 1.01 -1.22 -4.87 120.40 123.08 1tm9 s VAL 77 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1tm9 s VAL 77 Cb 0.05 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1tm9 s VAL 77 CO -0.01 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1tm9 n GLY 78 N 4.98 -3.87 0.00 4.51 0.00 -1.26 -4.18 105.19 105.37 1tm9 n GLY 78 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -2.17 4.61 0.00 -1.26 -4.68 120.51 113.85 1tm9 n ALA 79 Ca -0.03 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1tm9 n ALA 79 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.98 3.51 0.00 0.00 -1.32 -1.26 -4.71 115.64 110.88 1tm9 s THR 80 Ca 0.00 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1tm9 s THR 80 Cb 0.00 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 1tm9 s THR 80 CO 0.00 -1.18 0.00 0.61 -2.21 0.00 0.00 174.62 171.84 1tm9 n GLY 81 N 6.22 0.97 0.66 6.08 0.00 -1.26 -4.98 105.19 112.89 1tm9 n GLY 81 Ca 0.27 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 2.09 0.00 -2.47 1.61 6.02 -1.26 -4.79 117.38 118.58 1tm9 n GLN 82 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 1tm9 n GLN 82 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1tm9 n TYR 83 N -2.07 -1.03 -0.25 1.08 4.01 -1.26 -4.63 117.16 113.01 1tm9 n TYR 83 Ca 0.00 0.43 0.14 0.00 -0.16 0.00 0.00 57.90 58.31 1tm9 n TYR 83 Cb 0.00 -0.93 0.43 0.00 -0.31 0.00 0.00 39.34 38.53 1tm9 n TYR 83 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 1tm9 h MET 84 N 1.90 0.57 -0.87 -0.72 1.85 -1.93 -0.43 114.93 115.30 1tm9 h MET 84 Ca -0.22 -0.03 0.23 0.00 -0.61 0.00 0.00 59.70 59.06 1tm9 h MET 84 Cb 0.81 -0.13 -0.14 0.00 0.43 0.00 0.00 31.60 32.56 1tm9 h MET 84 CO 0.09 0.38 0.17 0.00 -0.40 0.00 0.00 176.91 177.14 1tm9 h ALA 85 N 1.61 1.18 -0.68 0.39 0.00 -1.95 0.94 119.26 120.75 1tm9 h ALA 85 Ca 0.45 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.53 1tm9 h ALA 85 Cb 0.86 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1tm9 h ALA 85 CO -0.20 -0.48 0.14 1.03 0.00 0.00 0.00 179.25 179.75 1tm9 h SER 86 N 0.16 1.05 -0.06 0.00 0.87 -1.36 -3.06 113.55 111.14 1tm9 h SER 86 Ca 0.53 -0.24 -0.24 0.00 -1.23 0.00 0.00 61.79 60.60 1tm9 h SER 86 Cb 1.06 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.68 1tm9 h SER 86 CO -0.69 1.02 -0.03 0.33 -0.53 0.00 0.00 176.83 176.93 1tm9 n PHE 87 N -4.25 0.27 0.00 2.24 -0.00 0.32 -3.39 117.46 112.66 1tm9 n PHE 87 Ca 0.05 -1.65 0.00 0.00 -0.00 0.00 0.00 57.45 55.85 1tm9 n PHE 87 Cb 0.27 -1.65 0.00 0.00 -0.00 0.00 0.00 39.48 38.10 1tm9 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1tm9 n PHE 88 N 2.49 -0.02 -0.18 -5.13 -0.00 -1.16 -4.55 117.46 108.91 1tm9 n PHE 88 Ca 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.88 1tm9 n PHE 88 Cb 0.85 0.18 0.04 0.00 -0.00 0.00 0.00 39.48 40.54 1tm9 n PHE 88 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1tm9 h SER 89 N 0.00 -0.75 0.46 -2.13 0.87 -1.70 0.38 113.55 110.69 1tm9 h SER 89 Ca 0.00 0.19 -0.30 0.00 -1.23 0.00 0.00 61.79 60.45 1tm9 h SER 89 Cb 0.00 0.43 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1tm9 h SER 89 CO 0.00 -0.24 -1.41 0.71 -0.53 0.00 0.00 176.83 175.36 1tm9 h THR 90 N -0.08 1.32 -3.19 2.23 1.35 -1.90 -3.38 112.91 109.27 1tm9 h THR 90 Ca 0.26 -2.87 -0.72 0.00 -0.55 0.00 0.00 66.41 62.53 1tm9 h THR 90 Cb 0.48 2.92 -0.34 0.00 -1.73 0.00 0.00 68.15 69.48 1tm9 h THR 90 CO -0.61 0.85 0.04 0.59 -0.25 0.00 0.00 175.52 176.14 1tm9 n ASN 91 N -3.57 4.61 -0.10 5.36 4.13 -0.59 -4.80 115.26 120.30 1tm9 n ASN 91 Ca -0.14 -3.19 -0.20 0.00 1.68 0.00 0.00 54.58 52.74 1tm9 n ASN 91 Cb 1.05 -1.08 -0.10 0.00 -1.54 0.00 0.00 39.78 38.11 1tm9 n ASN 91 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1tm9 n SER 92 N 2.08 1.86 -0.25 6.41 3.41 0.02 -2.28 113.62 124.88 1tm9 n SER 92 Ca 0.23 0.45 0.04 0.00 -0.26 0.00 0.00 58.87 59.34 1tm9 n SER 92 Cb 0.37 -0.94 0.15 0.00 -0.26 0.00 0.00 64.21 63.53 1tm9 n SER 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1tm9 h GLU 93 N -1.00 0.11 0.02 4.33 4.22 -1.87 1.49 114.58 121.88 1tm9 h GLU 93 Ca -0.32 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.11 1tm9 h GLU 93 Cb 1.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1tm9 h GLU 93 CO -0.19 0.07 -0.01 -1.00 -2.18 0.00 0.00 179.01 175.70 1tm9 h PRO 94 N 0.12 -0.02 0.00 0.92 0.13 -1.95 -2.67 132.00 128.53 1tm9 h PRO 94 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 1tm9 h PRO 94 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1tm9 h PRO 94 CO -0.63 0.69 0.09 0.00 -0.23 0.00 0.00 178.00 177.92 1tm9 h ALA 95 N 0.17 1.08 0.03 -0.56 0.00 -0.94 -2.12 119.26 116.92 1tm9 h ALA 95 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tm9 h ALA 95 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1tm9 h ALA 95 CO 0.00 -0.08 -0.01 0.82 0.00 0.00 0.00 179.25 179.98 1tm9 h ILE 96 N 0.00 0.00 -0.98 0.00 2.04 0.22 -1.36 117.51 117.43 1tm9 h ILE 96 Ca 0.00 -0.28 0.35 0.00 1.00 0.00 0.00 64.86 65.94 1tm9 h ILE 96 Cb 0.18 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.08 1tm9 h ILE 96 CO 0.00 0.00 0.32 -0.38 0.00 0.00 0.00 178.15 178.09 1tm9 n ILE 97 N -2.86 -0.41 -0.07 -0.67 -0.00 -0.99 0.17 119.36 114.53 1tm9 n ILE 97 Ca -0.00 2.05 -0.13 0.00 -0.00 0.00 0.00 62.75 64.67 1tm9 n ILE 97 Cb 0.01 -3.19 -0.06 0.00 -0.00 0.00 0.00 39.64 36.41 1tm9 n ILE 97 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 1tm9 h PHE 98 N 0.00 0.54 -0.47 1.39 0.04 -1.50 -2.82 116.94 114.11 1tm9 h PHE 98 Ca 0.73 -0.14 0.09 0.00 2.80 0.00 0.00 57.97 61.44 1tm9 h PHE 98 Cb 1.80 -0.12 -0.10 0.00 2.20 0.00 0.00 35.95 39.73 1tm9 h PHE 98 CO -0.21 0.77 -0.36 0.00 -0.60 0.00 0.00 178.31 177.91 1tm9 h VAL 100 N -0.24 0.40 -0.01 0.00 2.07 -1.17 -0.89 116.25 116.41 1tm9 h VAL 100 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 1tm9 h VAL 100 Cb 0.56 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1tm9 h VAL 100 CO -0.60 0.00 -0.23 0.40 0.02 0.00 0.00 177.57 177.17 1tm9 h ILE 101 N -0.16 0.00 -0.97 4.57 1.08 -0.51 0.18 117.51 121.69 1tm9 h ILE 101 Ca 0.18 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.95 1tm9 h ILE 101 Cb 0.44 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.01 1tm9 h ILE 101 CO -0.46 0.00 0.14 0.00 -0.69 0.00 0.00 178.15 177.14 1tm9 n TYR 102 N -3.74 0.74 0.19 1.37 9.36 0.56 -1.10 117.16 124.54 1tm9 n TYR 102 Ca -0.03 1.17 -0.08 0.00 3.32 0.00 0.00 57.90 62.28 1tm9 n TYR 102 Cb 0.16 -1.31 -0.04 0.00 -0.63 0.00 0.00 39.34 37.53 1tm9 n TYR 102 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1tm9 h PHE 103 N 0.00 -0.46 -1.93 2.98 3.57 0.24 0.48 116.94 121.82 1tm9 h PHE 103 Ca 0.65 -0.01 0.56 0.00 3.53 0.00 0.00 57.97 62.69 1tm9 h PHE 103 Cb 1.44 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 40.26 1tm9 h PHE 103 CO -0.38 -0.29 1.39 1.28 -2.23 0.00 0.00 178.31 178.08 1tm9 n LEU 104 N -3.49 0.00 -0.02 0.59 4.77 0.49 0.20 117.00 119.54 1tm9 n LEU 104 Ca -0.06 0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 56.69 1tm9 n LEU 104 Cb 0.20 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.67 1tm9 n LEU 104 CO 0.15 -0.96 -0.15 1.88 -1.33 0.00 0.00 177.39 176.97 1tm9 h TYR 105 N 0.00 0.30 -0.82 -1.77 0.05 -0.73 0.19 116.97 114.18 1tm9 h TYR 105 Ca 0.92 -0.22 0.07 0.00 0.05 0.00 0.00 58.73 59.55 1tm9 h TYR 105 Cb 3.68 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 41.31 1tm9 h TYR 105 CO -0.00 1.36 -0.48 -2.39 -1.05 0.00 0.00 178.16 175.60 1tm9 n HIS 106 N -4.21 -0.36 -2.29 4.88 1.44 0.52 -4.30 115.22 110.91 1tm9 n HIS 106 Ca -0.20 1.03 -0.03 0.00 -2.01 0.00 0.00 57.72 56.50 1tm9 n HIS 106 Cb 0.75 -0.56 0.03 0.00 0.12 0.00 0.00 29.99 30.33 1tm9 n HIS 106 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1tm9 n PHE 107 N -4.86 -0.83 0.00 -1.40 3.72 -0.96 -5.09 117.46 108.03 1tm9 n PHE 107 Ca 0.02 -0.84 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 1tm9 n PHE 107 Cb 0.21 0.91 0.00 0.00 -0.94 0.00 0.00 39.48 39.66 1tm9 n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tm9 n GLY 108 N -0.63 0.57 0.00 1.37 0.00 -0.68 -4.90 105.19 100.92 1tm9 n GLY 108 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1tm9 n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tm9 n PHE 109 N 0.00 0.00 -1.57 1.61 3.01 -0.33 -4.98 117.46 115.21 1tm9 n PHE 109 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.99 1tm9 n PHE 109 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1tm9 n PHE 109 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1tm9 n LEU 110 N -1.91 1.43 -4.62 4.37 4.77 -0.10 -4.95 117.00 115.99 1tm9 n LEU 110 Ca 0.00 1.16 -0.34 0.00 -0.03 0.00 0.00 56.01 56.79 1tm9 n LEU 110 Cb 0.37 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1tm9 n LEU 110 CO 0.00 -1.48 -0.29 -0.54 -1.33 0.00 0.00 177.39 173.74 1tm9 s LYS 111 N -1.00 3.54 -0.38 3.23 1.02 -1.26 -4.43 119.74 120.46 1tm9 s LYS 111 Ca 0.65 -0.40 0.07 0.00 0.02 0.00 0.00 55.97 56.31 1tm9 s LYS 111 Cb -0.78 -2.99 0.18 0.00 -0.52 0.00 0.00 37.83 33.71 1tm9 s LYS 111 CO 0.56 0.43 0.57 0.34 -0.92 0.00 0.00 175.35 176.33 1tm9 s ASP 112 N -0.11 -0.99 0.00 2.83 2.15 -1.26 -4.95 116.67 114.33 1tm9 s ASP 112 Ca 0.05 -0.74 0.00 0.00 0.43 0.00 0.00 52.55 52.28 1tm9 s ASP 112 Cb -0.12 1.69 0.00 0.00 -0.30 0.00 0.00 42.92 44.19 1tm9 s ASP 112 CO 0.02 -0.22 0.00 -0.46 -0.17 0.00 0.00 175.17 174.34 1tm9 n ASN 113 N 4.60 0.00 0.03 -0.34 6.94 -1.26 -4.80 115.26 120.42 1tm9 n ASN 113 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1tm9 n ASN 113 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1tm9 n ASN 113 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1tm9 n ASN 114 N 0.00 -0.45 0.01 0.53 5.15 -1.26 -5.01 115.26 114.23 1tm9 n ASN 114 Ca 0.00 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1tm9 n ASN 114 Cb 0.00 0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1tm9 n ASN 114 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1tm9 n LYS 115 N -2.25 0.00 -2.72 1.20 5.02 -1.26 -4.87 118.16 113.28 1tm9 n LYS 115 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1tm9 n LYS 115 Cb 0.00 -0.09 0.01 0.00 -0.02 0.00 0.00 35.03 34.93 1tm9 n LYS 115 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1tm9 n LYS 116 N -2.71 4.51 -0.00 1.97 4.01 -1.26 -4.54 118.16 120.14 1tm9 n LYS 116 Ca 0.00 -4.28 0.09 0.00 -0.51 0.00 0.00 58.31 53.61 1tm9 n LYS 116 Cb 0.00 -2.60 -0.11 0.00 -0.51 0.00 0.00 35.03 31.81 1tm9 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1tm9 n GLN 117 N 1.60 0.50 0.03 1.97 10.64 -1.26 -4.31 117.38 126.56 1tm9 n GLN 117 Ca 0.36 -0.01 0.21 0.00 -1.83 0.00 0.00 57.00 55.73 1tm9 n GLN 117 Cb 0.32 -1.43 0.61 0.00 -0.86 0.00 0.00 30.24 28.87 1tm9 n GLN 117 CO 0.00 0.00 0.00 -0.84 -1.83 0.00 0.00 177.06 174.39 1tm9 h ILE 118 N 0.00 0.18 0.00 -0.39 3.07 -1.93 1.84 117.51 120.27 1tm9 h ILE 118 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 1tm9 h ILE 118 Cb 0.48 0.39 -0.00 0.00 -0.27 0.00 0.00 36.82 37.42 1tm9 h ILE 118 CO 0.00 0.00 -0.03 0.40 -1.05 0.00 0.00 178.15 177.47 1tm9 h ILE 119 N 0.00 0.85 0.00 0.16 1.08 -1.95 0.59 117.51 118.24 1tm9 h ILE 119 Ca 0.26 -0.11 -0.25 0.00 -0.39 0.00 0.00 64.86 64.37 1tm9 h ILE 119 Cb 1.71 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 36.48 1tm9 h ILE 119 CO -0.00 0.03 -1.44 0.50 -0.69 0.00 0.00 178.15 176.54 1tm9 h LYS 120 N 0.00 0.00 0.00 2.37 3.64 0.25 -2.60 116.57 120.23 1tm9 h LYS 120 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1tm9 h LYS 120 Cb 0.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1tm9 h LYS 120 CO 0.00 0.59 -0.65 -0.22 -2.27 0.00 0.00 179.45 176.91 1tm9 h LYS 121 N 0.00 0.00 0.01 1.90 3.64 -0.79 -2.60 116.57 118.73 1tm9 h LYS 121 Ca -0.19 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1tm9 h LYS 121 Cb 1.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1tm9 h LYS 121 CO 0.09 0.65 -0.01 0.00 -2.27 0.00 0.00 179.45 177.91 1tm9 h ALA 122 N 1.35 -0.04 -1.25 5.00 0.00 0.01 -2.35 119.26 121.98 1tm9 h ALA 122 Ca -0.01 -0.00 0.42 0.00 0.00 0.00 0.00 54.91 55.32 1tm9 h ALA 122 Cb 1.24 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1tm9 h ALA 122 CO 0.08 -0.04 0.78 1.88 0.00 0.00 0.00 179.25 181.96 1tm9 h TYR 123 N -0.32 0.60 -0.18 0.00 0.05 -1.59 1.58 116.97 117.11 1tm9 h TYR 123 Ca -0.00 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.59 1tm9 h TYR 123 Cb 0.01 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 37.61 1tm9 h TYR 123 CO 0.01 -0.24 -0.72 1.49 -1.05 0.00 0.00 178.16 177.64 1tm9 h GLU 124 N 0.09 0.80 -0.33 4.88 4.22 -1.58 0.11 114.58 122.78 1tm9 h GLU 124 Ca 0.82 -0.62 0.10 0.00 0.08 0.00 0.00 59.36 59.74 1tm9 h GLU 124 Cb 2.45 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.81 1tm9 h GLU 124 CO -0.49 1.23 0.31 0.00 -2.18 0.00 0.00 179.01 177.88 1tm9 h THR 125 N 0.57 0.54 0.00 0.32 1.03 0.28 0.26 112.91 115.91 1tm9 h THR 125 Ca -0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.36 1tm9 h THR 125 Cb 1.34 0.77 -0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1tm9 h THR 125 CO 0.15 0.00 -0.72 -0.38 -0.01 0.00 0.00 175.52 174.56 1tm9 n ILE 126 N -3.97 1.45 -0.25 0.00 5.41 -0.80 -2.42 119.36 118.78 1tm9 n ILE 126 Ca 0.05 0.18 0.32 0.00 1.00 0.00 0.00 62.75 64.30 1tm9 n ILE 126 Cb 0.47 -2.37 0.63 0.00 -0.71 0.00 0.00 39.64 37.67 1tm9 n ILE 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tm9 h ALA 127 N -0.99 2.96 0.00 -1.39 0.00 -0.58 1.60 119.26 120.86 1tm9 h ALA 127 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tm9 h ALA 127 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1tm9 h ALA 127 CO -0.01 -1.57 -0.27 0.22 0.00 0.00 0.00 179.25 177.62 1tm9 h ASP 128 N 0.00 0.00 -0.77 0.00 1.82 -0.64 -3.18 116.42 113.65 1tm9 h ASP 128 Ca 0.51 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 57.33 1tm9 h ASP 128 Cb 2.53 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 42.43 1tm9 h ASP 128 CO -0.01 0.53 0.20 -1.13 -1.61 0.00 0.00 179.24 177.22 1tm9 h ASN 129 N -0.78 0.04 -0.03 2.28 -1.24 -0.64 1.52 115.58 116.72 1tm9 h ASN 129 Ca 0.00 0.15 0.01 0.00 0.71 0.00 0.00 56.30 57.17 1tm9 h ASN 129 Cb 0.27 0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 1tm9 h ASN 129 CO 0.00 -0.05 0.03 -0.29 -1.29 0.00 0.00 177.43 175.83 1tm9 h ILE 130 N 0.28 0.78 -0.07 2.57 2.10 0.21 0.73 117.51 124.11 1tm9 h ILE 130 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.38 1tm9 h ILE 130 Cb 0.78 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1tm9 h ILE 130 CO -0.53 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 176.54 1tm9 n ALA 131 N -2.45 2.58 -0.03 0.18 0.00 0.51 -3.13 120.51 118.16 1tm9 n ALA 131 Ca -0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 1tm9 n ALA 131 Cb 0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 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 1.62 0.22 -0.11 0.00 3.58 0.18 -3.33 116.42 118.58 1tm9 h ASP 132 Ca 0.00 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.64 1tm9 h ASP 132 Cb 0.35 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1tm9 h ASP 132 CO 0.00 1.44 0.00 0.00 -2.88 0.00 0.00 179.24 177.80 1tm9 n TYR 133 N -4.21 0.14 0.00 0.28 4.11 -1.17 -4.48 117.16 111.84 1tm9 n TYR 133 Ca -0.23 -0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.60 1tm9 n TYR 133 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.09 1tm9 n TYR 133 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1tm9 n LEU 134 N 0.15 0.01 0.00 -3.48 4.77 -1.18 -4.94 117.00 112.33 1tm9 n LEU 134 Ca 0.17 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1tm9 n LEU 134 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1tm9 n LEU 134 CO 0.14 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.00 1tm9 n ASN 135 N -0.22 0.00 -3.65 -1.43 5.15 -1.26 -5.00 115.26 108.86 1tm9 n ASN 135 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 1tm9 n ASN 135 Cb 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.29 1tm9 n ASN 135 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1tm9 n GLU 136 N 0.00 -1.23 0.00 1.20 2.13 -1.26 -5.16 120.64 116.32 1tm9 n GLU 136 Ca 0.00 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1tm9 n GLU 136 Cb 0.00 -4.08 0.00 0.00 0.27 0.00 0.00 31.44 27.63 1tm9 n GLU 136 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81