#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm9 n GLU 2 N 0.00 0.00 0.00 2.12 2.13 -1.26 -5.14 120.64 118.49 1tm9 n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1tm9 n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1tm9 n GLU 2 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1tm9 n GLN 3 N 0.00 0.00 -0.18 5.31 -0.06 -1.26 -4.80 117.38 116.39 1tm9 n GLN 3 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1tm9 n GLN 3 Cb 0.00 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 26.27 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1tm9 n ASN 4 N -0.49 -2.27 0.00 1.69 4.13 -1.26 -3.80 115.26 113.27 1tm9 n ASN 4 Ca 0.00 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1tm9 n ASN 4 Cb 0.00 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 1tm9 n ASN 4 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tm9 n ASN 5 N -2.32 0.00 0.11 6.41 5.15 -1.26 -4.81 115.26 118.53 1tm9 n ASN 5 Ca 0.04 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.98 1tm9 n ASN 5 Cb 0.18 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 1tm9 n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1tm9 h ILE 6 N 0.00 0.00 -0.99 -1.44 1.08 -1.92 0.26 117.51 114.50 1tm9 h ILE 6 Ca 0.00 -0.10 0.17 0.00 -0.39 0.00 0.00 64.86 64.53 1tm9 h ILE 6 Cb 0.00 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.58 1tm9 h ILE 6 CO 0.00 0.00 -0.35 0.50 -0.69 0.00 0.00 178.15 177.61 1tm9 h LYS 7 N -0.38 -0.00 -0.04 2.37 3.11 -1.91 0.70 116.57 120.41 1tm9 h LYS 7 Ca -0.03 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1tm9 h LYS 7 Cb 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1tm9 h LYS 7 CO 0.05 -0.00 -0.04 1.49 -2.81 0.00 0.00 179.45 178.13 1tm9 h GLU 8 N -0.00 -0.05 -0.91 1.90 4.57 -1.96 -1.59 114.58 116.53 1tm9 h GLU 8 Ca 0.38 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.75 1tm9 h GLU 8 Cb 0.63 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 1tm9 h GLU 8 CO -0.99 -0.03 0.59 1.96 -1.18 0.00 0.00 179.01 179.36 1tm9 h GLN 9 N -0.05 0.53 0.50 1.92 4.20 0.38 -1.07 115.11 121.51 1tm9 h GLN 9 Ca 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1tm9 h GLN 9 Cb 0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1tm9 h GLN 9 CO -0.07 0.35 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.01 1tm9 h LEU 10 N 0.54 -0.91 -0.01 1.46 3.38 0.76 -0.67 115.31 119.88 1tm9 h LEU 10 Ca 0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1tm9 h LEU 10 Cb 0.99 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1tm9 h LEU 10 CO -0.21 -0.53 -0.01 0.40 0.09 0.00 0.00 178.44 178.18 1tm9 h ILE 11 N -0.82 0.00 -0.22 1.22 5.03 -0.88 -0.70 117.51 121.14 1tm9 h ILE 11 Ca -0.05 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.71 1tm9 h ILE 11 Cb 0.69 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.46 1tm9 h ILE 11 CO 0.02 0.00 -0.13 -1.20 -0.68 0.00 0.00 178.15 176.16 1tm9 n SER 12 N -2.72 -0.24 0.00 1.72 7.64 -0.97 0.80 113.62 119.86 1tm9 n SER 12 Ca -0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1tm9 n SER 12 Cb 0.01 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.47 0.00 -0.41 1.43 3.01 -0.26 0.39 117.46 118.15 1tm9 n PHE 13 Ca 0.00 0.00 0.34 0.00 1.01 0.00 0.00 57.45 58.80 1tm9 n PHE 13 Cb 0.06 -0.04 0.61 0.00 -0.01 0.00 0.00 39.48 40.10 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 0.60 -0.96 1.38 3.57 -0.77 1.51 116.94 122.27 1tm9 h PHE 14 Ca 0.00 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.72 1tm9 h PHE 14 Cb 0.00 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 1tm9 h PHE 14 CO -0.08 -0.19 0.61 -0.97 -2.23 0.00 0.00 178.31 175.45 1tm9 h ASN 15 N 0.14 0.60 -0.36 0.41 -0.73 0.53 0.25 115.58 116.42 1tm9 h ASN 15 Ca 0.79 0.07 -0.24 0.00 1.87 0.00 0.00 56.30 58.78 1tm9 h ASN 15 Cb 2.33 -0.04 -0.10 0.00 0.27 0.00 0.00 38.32 40.78 1tm9 h ASN 15 CO -0.45 0.23 0.28 0.00 -0.37 0.00 0.00 177.43 177.12 1tm9 n GLN 16 N -4.63 1.62 0.00 6.67 6.02 0.52 -4.16 117.38 123.42 1tm9 n GLN 16 Ca 0.22 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 1tm9 n GLN 16 Cb 0.64 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 0.75 2.13 -1.00 -1.58 0.00 0.85 -4.57 120.51 117.09 1tm9 n ALA 17 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1tm9 n ALA 17 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.27 0.00 -3.32 0.00 7.64 -1.26 -4.88 113.62 109.52 1tm9 n SER 19 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1tm9 n SER 19 Cb 0.00 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 1tm9 n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1tm9 s THR 20 N 0.00 1.09 -0.13 0.44 -4.23 -1.26 -4.97 115.64 106.57 1tm9 s THR 20 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 1tm9 s THR 20 Cb 0.00 -2.00 -0.26 0.00 1.34 0.00 0.00 72.50 71.58 1tm9 s THR 20 CO 0.00 0.00 0.36 1.41 -0.54 0.00 0.00 174.62 175.85 1tm9 n HIS 21 N -5.83 1.25 -0.04 3.99 -0.00 -1.26 -3.96 115.22 109.38 1tm9 n HIS 21 Ca 0.13 0.28 0.24 0.00 -0.00 0.00 0.00 57.72 58.37 1tm9 n HIS 21 Cb 0.60 -1.16 0.72 0.00 -0.00 0.00 0.00 29.99 30.15 1tm9 n HIS 21 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1tm9 h GLN 22 N -0.03 0.00 -0.90 -0.41 4.20 -1.99 -1.38 115.11 114.60 1tm9 h GLN 22 Ca -0.42 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.49 1tm9 h GLN 22 Cb 1.97 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 29.58 1tm9 h GLN 22 CO 0.06 0.00 -0.16 1.49 -0.67 0.00 0.00 178.83 179.55 1tm9 h GLU 23 N 0.00 0.01 0.55 1.46 4.57 -1.95 1.50 114.58 120.73 1tm9 h GLU 23 Ca 0.31 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1tm9 h GLU 23 Cb 1.34 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1tm9 h GLU 23 CO -0.00 0.01 -0.46 -0.09 -1.18 0.00 0.00 179.01 177.28 1tm9 h ARG 24 N 0.01 -0.96 -0.00 1.92 1.12 -1.50 1.41 114.38 116.38 1tm9 h ARG 24 Ca 0.46 0.07 0.00 0.00 -1.11 0.00 0.00 59.98 59.39 1tm9 h ARG 24 Cb 0.76 0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.94 1tm9 h ARG 24 CO -0.90 -0.64 0.01 -0.07 -3.11 0.00 0.00 179.97 175.27 1tm9 h LEU 25 N -0.99 0.00 0.03 3.80 3.38 -1.10 0.26 115.31 120.68 1tm9 h LEU 25 Ca -0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 1tm9 h LEU 25 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1tm9 h LEU 25 CO -0.01 0.00 -1.27 0.44 0.09 0.00 0.00 178.44 177.69 1tm9 h ASP 26 N 0.00 0.10 0.50 -0.43 3.32 0.37 -3.33 116.42 116.94 1tm9 h ASP 26 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1tm9 h ASP 26 Cb 0.02 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1tm9 h ASP 26 CO -0.00 1.10 -0.24 0.15 -1.72 0.00 0.00 179.24 178.53 1tm9 h PHE 27 N 0.02 -0.62 -1.92 4.55 3.57 0.53 0.41 116.94 123.47 1tm9 h PHE 27 Ca -0.12 -0.01 0.56 0.00 3.53 0.00 0.00 57.97 61.92 1tm9 h PHE 27 Cb 1.88 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 40.75 1tm9 h PHE 27 CO 0.01 -0.39 1.39 0.44 -2.23 0.00 0.00 178.31 177.53 1tm9 n ILE 28 N -5.02 -0.00 -0.06 1.41 -5.35 -0.64 0.16 119.36 109.85 1tm9 n ILE 28 Ca -0.08 1.45 -0.03 0.00 -0.27 0.00 0.00 62.75 63.81 1tm9 n ILE 28 Cb 0.26 -2.41 -0.01 0.00 -1.74 0.00 0.00 39.64 35.75 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 -0.98 -1.16 -0.29 0.00 0.87 0.44 0.40 113.55 112.84 1tm9 h SER 30 Ca 0.00 0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1tm9 h SER 30 Cb 0.35 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1tm9 h SER 30 CO 0.00 -0.37 0.64 0.74 -0.53 0.00 0.00 176.83 177.31 1tm9 h THR 31 N -0.48 0.11 -0.65 2.23 2.02 0.13 1.51 112.91 117.77 1tm9 h THR 31 Ca 0.01 0.00 -0.40 0.00 0.77 0.00 0.00 66.41 66.78 1tm9 h THR 31 Cb 0.51 0.43 -0.24 0.00 -1.74 0.00 0.00 68.15 67.11 1tm9 h THR 31 CO -0.25 0.00 0.08 -1.14 0.37 0.00 0.00 175.52 174.58 1tm9 n ARG 32 N -3.12 2.40 -2.22 6.66 0.00 0.13 -4.46 116.66 116.06 1tm9 n ARG 32 Ca 0.05 -3.38 -0.02 0.00 -0.00 0.00 0.00 57.85 54.51 1tm9 n ARG 32 Cb 0.76 -2.05 0.06 0.00 0.00 0.00 0.00 32.46 31.23 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 -1.01 0.70 -3.01 -0.14 -0.00 0.51 -4.92 120.64 112.78 1tm9 n GLU 33 Ca 0.45 -0.74 -0.00 0.00 -0.00 0.00 0.00 57.16 56.87 1tm9 n GLU 33 Cb 1.05 0.18 -0.00 0.00 -0.00 0.00 0.00 31.44 32.66 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1tm9 s SER 34 N -0.60 -1.20 0.41 -1.84 0.01 -1.02 -4.89 113.70 104.58 1tm9 s SER 34 Ca 0.06 -0.81 0.17 0.00 1.31 0.00 0.00 55.95 56.69 1tm9 s SER 34 Cb 0.23 1.55 1.08 0.00 0.21 0.00 0.00 66.02 69.09 1tm9 s SER 34 CO -0.06 -0.11 1.84 0.44 0.41 0.00 0.00 173.24 175.75 1tm9 h ASP 35 N 6.14 0.42 0.74 2.44 3.32 -1.91 1.41 116.42 128.98 1tm9 h ASP 35 Ca 0.03 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1tm9 h ASP 35 Cb 1.18 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1tm9 h ASP 35 CO 0.04 0.16 -0.05 0.00 -1.72 0.00 0.00 179.24 177.66 1tm9 h THR 36 N 0.41 0.17 -1.91 0.35 1.03 -1.99 -3.45 112.91 107.51 1tm9 h THR 36 Ca 0.49 -0.52 -0.18 0.00 -0.01 0.00 0.00 66.41 66.19 1tm9 h THR 36 Cb 1.22 1.44 -0.06 0.00 -1.07 0.00 0.00 68.15 69.68 1tm9 h THR 36 CO -0.20 0.05 -0.17 0.49 -0.01 0.00 0.00 175.52 175.68 1tm9 n PHE 37 N -3.22 -0.71 -0.04 0.00 3.72 0.48 -4.62 117.46 113.08 1tm9 n PHE 37 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1tm9 n PHE 37 Cb 0.27 -2.08 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 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 -0.23 0.34 0.00 4.37 2.88 -1.26 -4.57 113.62 115.15 1tm9 n SER 38 Ca -0.09 -0.66 0.12 0.00 -1.33 0.00 0.00 58.87 56.91 1tm9 n SER 38 Cb 0.33 0.56 0.28 0.00 -0.75 0.00 0.00 64.21 64.63 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 -0.56 0.47 -4.52 -3.46 2.88 -1.26 -4.92 113.62 102.23 1tm9 n SER 39 Ca 0.00 -0.18 -0.34 0.00 -1.33 0.00 0.00 58.87 57.02 1tm9 n SER 39 Cb 0.01 0.19 0.11 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.52 1.25 0.21 2.46 0.31 -1.26 -4.93 118.33 114.84 1tm9 n VAL 40 Ca 0.06 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1tm9 n VAL 40 Cb 0.34 -0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 32.38 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 -0.95 -0.44 -2.32 4.52 3.04 -1.92 -3.43 116.42 114.92 1tm9 h ASP 41 Ca -0.45 0.02 -0.62 0.00 -3.24 0.00 0.00 57.03 52.74 1tm9 h ASP 41 Cb 1.31 0.11 0.09 0.00 -1.04 0.00 0.00 39.33 39.81 1tm9 h ASP 41 CO 0.41 -0.32 0.28 0.55 -2.04 0.00 0.00 179.24 178.12 1tm9 n VAL 42 N -3.41 1.37 -2.55 4.15 3.14 -1.26 -4.92 118.33 114.85 1tm9 n VAL 42 Ca -0.07 -0.34 -0.34 0.00 -2.96 0.00 0.00 64.34 60.63 1tm9 n VAL 42 Cb 0.21 -1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 31.91 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 -0.89 3.83 0.26 1.45 0.04 -1.26 -4.96 135.00 133.48 1tm9 s PRO 43 Ca 0.66 1.37 0.16 0.00 0.04 0.00 0.00 61.00 63.23 1tm9 s PRO 43 Cb -0.75 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 31.72 1tm9 s PRO 43 CO 0.55 -0.41 1.38 -0.07 0.04 0.00 0.00 177.00 178.49 1tm9 h LEU 44 N 1.63 0.00 -0.16 -3.56 3.38 -1.92 -2.89 115.31 111.79 1tm9 h LEU 44 Ca -0.49 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1tm9 h LEU 44 Cb 1.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1tm9 h LEU 44 CO 0.59 0.46 -0.50 -0.33 0.09 0.00 0.00 178.44 178.75 1tm9 h GLU 45 N 0.00 -0.52 -0.03 1.13 5.08 -1.97 1.10 114.58 119.37 1tm9 h GLU 45 Ca -0.02 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1tm9 h GLU 45 Cb 1.37 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.75 1tm9 h GLU 45 CO 0.06 -0.34 -0.53 -1.00 -1.00 0.00 0.00 179.01 176.19 1tm9 h PRO 46 N -0.54 0.42 -0.92 2.33 0.13 -1.81 -3.19 132.00 128.42 1tm9 h PRO 46 Ca 0.05 -0.40 0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1tm9 h PRO 46 Cb 0.66 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.82 1tm9 h PRO 46 CO -0.44 1.06 0.60 0.82 -0.23 0.00 0.00 178.00 179.80 1tm9 h ILE 47 N -0.08 0.72 0.00 -3.56 1.08 -1.28 1.66 117.51 116.05 1tm9 h ILE 47 Ca -0.06 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1tm9 h ILE 47 Cb 1.22 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1tm9 h ILE 47 CO 0.11 0.10 0.00 0.29 -0.69 0.00 0.00 178.15 177.95 1tm9 n LYS 48 N -4.57 0.11 0.01 2.37 5.02 0.38 -0.58 118.16 120.90 1tm9 n LYS 48 Ca 0.20 0.52 -0.18 0.00 -2.02 0.00 0.00 58.31 56.83 1tm9 n LYS 48 Cb 0.63 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 1tm9 n LYS 48 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1tm9 h ASN 49 N 0.00 0.33 0.12 4.39 -1.24 0.24 -3.26 115.58 116.15 1tm9 h ASN 49 Ca 0.00 -0.66 0.00 0.00 0.71 0.00 0.00 56.30 56.35 1tm9 h ASN 49 Cb 0.12 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1tm9 h ASN 49 CO 0.00 1.58 -0.04 2.30 -1.29 0.00 0.00 177.43 179.98 1tm9 n ILE 50 N -3.38 0.00 0.03 2.57 -5.35 -0.25 -3.47 119.36 109.51 1tm9 n ILE 50 Ca -0.25 -0.11 -0.22 0.00 -0.27 0.00 0.00 62.75 61.90 1tm9 n ILE 50 Cb 1.05 -0.01 -0.14 0.00 -1.74 0.00 0.00 39.64 38.80 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 1.00 0.76 0.00 7.28 2.04 -0.93 -3.30 117.51 124.36 1tm9 h ILE 51 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1tm9 h ILE 51 Cb 0.30 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1tm9 h ILE 51 CO 0.00 0.87 0.00 1.21 0.00 0.00 0.00 178.15 180.23 1tm9 n GLU 52 N -3.56 0.10 -0.12 2.37 2.13 -1.23 -1.90 120.64 118.43 1tm9 n GLU 52 Ca -0.29 0.53 0.21 0.00 0.66 0.00 0.00 57.16 58.27 1tm9 n GLU 52 Cb 1.05 -1.78 0.63 0.00 0.27 0.00 0.00 31.44 31.60 1tm9 n GLU 52 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1tm9 h ILE 53 N 0.00 0.69 -0.62 6.31 6.09 -1.69 1.09 117.51 129.38 1tm9 h ILE 53 Ca 0.00 -0.05 -0.05 0.00 -1.37 0.00 0.00 64.86 63.39 1tm9 h ILE 53 Cb 0.09 0.52 -0.03 0.00 0.47 0.00 0.00 36.82 37.87 1tm9 h ILE 53 CO 0.00 0.03 0.06 0.35 -3.07 0.00 0.00 178.15 175.52 1tm9 n THR 54 N -4.39 2.83 -0.28 2.19 -2.24 -0.80 -4.41 114.28 107.18 1tm9 n THR 54 Ca 0.15 -1.47 -0.03 0.00 -2.27 0.00 0.00 64.05 60.43 1tm9 n THR 54 Cb 0.70 -0.30 0.13 0.00 -2.10 0.00 0.00 70.33 68.76 1tm9 n THR 54 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1tm9 h LYS 55 N 3.71 1.14 -6.17 -0.78 2.10 0.11 -3.42 116.57 113.27 1tm9 h LYS 55 Ca 0.06 -0.15 -0.58 0.00 -2.00 0.00 0.00 60.65 57.98 1tm9 h LYS 55 Cb 2.08 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 33.15 1tm9 h LYS 55 CO 0.56 0.86 -0.20 -0.51 -2.00 0.00 0.00 179.45 178.16 1tm9 s ASP 56 N -6.33 6.69 0.34 7.07 1.11 -1.26 -4.98 116.67 119.31 1tm9 s ASP 56 Ca -0.12 0.87 0.06 0.00 0.18 0.00 0.00 52.55 53.54 1tm9 s ASP 56 Cb 0.17 -2.21 0.61 0.00 1.07 0.00 0.00 42.92 42.55 1tm9 s ASP 56 CO 0.82 0.15 1.83 1.05 1.18 0.00 0.00 175.17 180.20 1tm9 h GLU 57 N 3.66 0.36 -0.54 8.23 4.11 -1.96 -2.53 114.58 125.91 1tm9 h GLU 57 Ca -0.49 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 58.84 1tm9 h GLU 57 Cb 1.19 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1tm9 h GLU 57 CO 0.66 0.53 0.35 -0.97 0.07 0.00 0.00 179.01 179.65 1tm9 h ASN 58 N 0.34 0.63 -0.49 3.06 -0.73 -1.95 -1.80 115.58 114.65 1tm9 h ASN 58 Ca 0.06 -0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.23 1tm9 h ASN 58 Cb 0.49 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 1tm9 h ASN 58 CO 0.03 0.47 0.29 1.56 -0.37 0.00 0.00 177.43 179.41 1tm9 h GLN 59 N 0.74 0.56 0.04 6.67 7.50 -1.75 -1.70 115.11 127.16 1tm9 h GLN 59 Ca 0.20 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.34 1tm9 h GLN 59 Cb -0.07 -0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.29 1tm9 h GLN 59 CO -0.04 0.37 -0.29 1.96 -1.50 0.00 0.00 178.83 179.33 1tm9 h GLN 60 N 0.57 -0.44 0.02 1.46 4.20 -1.14 0.78 115.11 120.57 1tm9 h GLN 60 Ca 0.19 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.94 1tm9 h GLN 60 Cb 0.02 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1tm9 h GLN 60 CO -0.09 -0.30 -0.27 0.82 -0.67 0.00 0.00 178.83 178.33 1tm9 h ILE 61 N -0.46 0.00 -0.53 2.54 2.04 -1.04 1.53 117.51 121.60 1tm9 h ILE 61 Ca 0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.07 1tm9 h ILE 61 Cb 0.53 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1tm9 h ILE 61 CO -0.22 0.00 0.46 -0.08 0.00 0.00 0.00 178.15 178.31 1tm9 h GLU 62 N -0.35 0.00 0.09 2.37 4.81 -1.13 -0.29 114.58 120.08 1tm9 h GLU 62 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tm9 h GLU 62 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1tm9 h GLU 62 CO -0.16 0.00 -0.04 0.82 -0.73 0.00 0.00 179.01 178.89 1tm9 h ILE 63 N 0.00 1.13 -0.93 2.32 2.04 0.34 -2.05 117.51 120.36 1tm9 h ILE 63 Ca 0.25 -1.37 0.09 0.00 1.00 0.00 0.00 64.86 64.84 1tm9 h ILE 63 Cb 1.18 1.93 -0.12 0.00 -0.74 0.00 0.00 36.82 39.07 1tm9 h ILE 63 CO -0.00 0.31 -0.57 0.74 0.00 0.00 0.00 178.15 178.63 1tm9 h THR 64 N -0.81 0.00 -0.31 -0.27 2.02 0.38 1.21 112.91 115.14 1tm9 h THR 64 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1tm9 h THR 64 Cb 0.59 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1tm9 h THR 64 CO 0.02 0.00 0.17 0.11 0.37 0.00 0.00 175.52 176.19 1tm9 h LYS 65 N -0.04 0.35 -0.95 6.66 6.56 -1.59 -1.39 116.57 126.17 1tm9 h LYS 65 Ca 0.17 -0.02 0.17 0.00 -1.06 0.00 0.00 60.65 59.91 1tm9 h LYS 65 Cb 0.45 -0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 31.93 1tm9 h LYS 65 CO -0.90 0.23 0.54 0.82 -2.06 0.00 0.00 179.45 178.08 1tm9 h ILE 66 N 0.36 0.72 -0.63 1.86 2.04 0.42 0.38 117.51 122.66 1tm9 h ILE 66 Ca 0.12 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1tm9 h ILE 66 Cb 0.01 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 35.99 1tm9 h ILE 66 CO -0.06 0.13 0.40 0.00 0.00 0.00 0.00 178.15 178.62 1tm9 h ALA 67 N 1.61 0.80 -0.12 1.87 0.00 0.23 -2.43 119.26 121.23 1tm9 h ALA 67 Ca 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1tm9 h ALA 67 Cb 0.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1tm9 h ALA 67 CO -0.37 0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.36 1tm9 h VAL 68 N 0.80 1.19 -1.85 0.00 2.07 0.10 0.29 116.25 118.86 1tm9 h VAL 68 Ca 0.24 -0.61 0.54 0.00 0.82 0.00 0.00 66.70 67.69 1tm9 h VAL 68 Cb -0.04 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1tm9 h VAL 68 CO -0.08 0.18 1.36 -1.13 0.02 0.00 0.00 177.57 177.92 1tm9 h ASN 69 N -0.01 0.00 0.00 0.57 -1.24 0.05 1.62 115.58 116.56 1tm9 h ASN 69 Ca 0.04 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.81 1tm9 h ASN 69 Cb 0.25 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 1tm9 h ASN 69 CO 0.00 0.00 -1.55 0.59 -1.29 0.00 0.00 177.43 175.18 1tm9 n ASN 70 N -3.92 1.90 -0.20 1.15 3.02 -0.83 -4.11 115.26 112.28 1tm9 n ASN 70 Ca 0.41 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1tm9 n ASN 70 Cb 1.92 -0.86 0.08 0.00 -0.61 0.00 0.00 39.78 40.31 1tm9 n ASN 70 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1tm9 h ILE 71 N -1.00 0.45 -0.92 2.41 1.08 0.28 0.46 117.51 120.27 1tm9 h ILE 71 Ca -0.35 -0.02 0.24 0.00 -0.39 0.00 0.00 64.86 64.33 1tm9 h ILE 71 Cb 1.23 0.38 -0.13 0.00 -3.07 0.00 0.00 36.82 35.23 1tm9 h ILE 71 CO -0.21 0.01 0.41 0.11 -0.69 0.00 0.00 178.15 177.78 1tm9 h LYS 72 N 0.06 0.37 -0.22 2.37 1.79 0.20 1.50 116.57 122.63 1tm9 h LYS 72 Ca 0.31 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.82 1tm9 h LYS 72 Cb 0.49 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1tm9 h LYS 72 CO -0.57 0.25 0.16 1.15 -1.08 0.00 0.00 179.45 179.36 1tm9 h THR 73 N 0.38 0.89 -0.20 -0.16 2.02 -0.22 -2.36 112.91 113.26 1tm9 h THR 73 Ca 0.59 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.53 1tm9 h THR 73 Cb 1.15 0.89 -0.09 0.00 -1.74 0.00 0.00 68.15 68.36 1tm9 h THR 73 CO -0.55 0.00 -0.20 0.18 0.37 0.00 0.00 175.52 175.32 1tm9 n LEU 74 N -4.47 5.50 -0.16 2.58 4.77 0.51 -4.13 117.00 121.61 1tm9 n LEU 74 Ca 0.02 -3.28 0.13 0.00 -0.03 0.00 0.00 56.01 52.85 1tm9 n LEU 74 Cb 0.31 -1.36 0.32 0.00 -2.33 0.00 0.00 43.42 40.36 1tm9 n LEU 74 CO 0.35 1.64 0.56 -0.24 -1.33 0.00 0.00 177.39 178.38 1tm9 n SER 75 N 2.08 0.85 0.01 -1.43 2.88 -0.89 -4.85 113.62 112.27 1tm9 n SER 75 Ca 0.40 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1tm9 n SER 75 Cb 0.81 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 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 -0.96 -0.18 -2.87 -3.46 2.88 -1.26 -5.10 113.62 102.67 1tm9 n SER 76 Ca 0.10 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.61 1tm9 n SER 76 Cb 0.34 0.41 0.01 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.09-10.86 -3.83 2.46 0.31 -1.26 -4.96 118.33 98.10 1tm9 n VAL 77 Ca 0.00 0.90 -0.08 0.00 -0.01 0.00 0.00 64.34 65.15 1tm9 n VAL 77 Cb 0.00 -7.14 0.01 0.00 -0.91 0.00 0.00 33.84 25.79 1tm9 n VAL 77 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1tm9 s GLY 78 N -2.53 0.19 0.00 2.92 0.00 -1.26 -4.72 107.32 101.92 1tm9 s GLY 78 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1tm9 s GLY 78 CO 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 173.10 173.65 1tm9 n ALA 79 N -0.50 0.00 -2.77 3.20 0.00 -1.26 -4.69 120.51 114.49 1tm9 n ALA 79 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1tm9 n ALA 79 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1tm9 n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1tm9 n THR 80 N 0.00 4.49 0.00 0.00 5.66 -1.26 -4.97 114.28 118.20 1tm9 n THR 80 Ca 0.00 -5.73 0.00 0.00 -3.05 0.00 0.00 64.05 55.27 1tm9 n THR 80 Cb 0.00 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.32 1tm9 n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tm9 n GLY 81 N -0.17 0.02 1.98 1.09 0.00 -1.26 -4.95 105.19 101.89 1tm9 n GLY 81 Ca 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1tm9 n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tm9 n GLN 82 N 0.00 0.00 -4.29 1.61 -0.06 -1.26 -5.02 117.38 108.36 1tm9 n GLN 82 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.76 1tm9 n GLN 82 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1tm9 s TYR 83 N -2.00 2.69 0.65 3.69 2.02 -1.26 -4.90 117.35 118.24 1tm9 s TYR 83 Ca 0.00 -0.22 0.38 0.00 -0.37 0.00 0.00 57.07 56.86 1tm9 s TYR 83 Cb 0.00 -1.21 2.04 0.00 -0.40 0.00 0.00 41.96 42.39 1tm9 s TYR 83 CO 0.00 0.61 2.15 0.52 -1.57 0.00 0.00 175.55 177.26 1tm9 h MET 84 N 2.04 0.00 -0.28 -0.62 2.86 -1.93 -0.60 114.93 116.41 1tm9 h MET 84 Ca -0.45 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1tm9 h MET 84 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1tm9 h MET 84 CO 0.60 0.00 0.13 0.00 1.06 0.00 0.00 176.91 178.70 1tm9 h ALA 85 N 1.69 0.36 -0.47 6.32 0.00 -1.94 -1.32 119.26 123.89 1tm9 h ALA 85 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1tm9 h ALA 85 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1tm9 h ALA 85 CO 0.00 -0.08 0.61 0.66 0.00 0.00 0.00 179.25 180.44 1tm9 h SER 86 N 0.31 0.00 -0.77 0.00 4.64 -1.51 -1.21 113.55 115.02 1tm9 h SER 86 Ca 0.09 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.00 1tm9 h SER 86 Cb 0.12 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.06 1tm9 h SER 86 CO -0.01 0.00 0.19 0.33 -0.87 0.00 0.00 176.83 176.47 1tm9 n PHE 87 N -3.45 1.15 0.00 4.77 7.35 -0.50 -3.78 117.46 123.01 1tm9 n PHE 87 Ca 0.09 -1.82 0.00 0.00 -0.76 0.00 0.00 57.45 54.96 1tm9 n PHE 87 Cb 0.79 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 39.17 1tm9 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1tm9 n PHE 88 N 1.34 -0.17 -0.08 -5.13 -0.00 -0.46 -4.81 117.46 108.16 1tm9 n PHE 88 Ca 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.80 1tm9 n PHE 88 Cb 0.65 0.22 -0.05 0.00 -0.00 0.00 0.00 39.48 40.30 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 0.46 -0.95 -2.13 0.87 -1.73 -2.96 113.55 107.12 1tm9 h SER 89 Ca 0.00 -0.40 0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1tm9 h SER 89 Cb 0.00 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 61.73 1tm9 h SER 89 CO 0.00 0.76 0.55 0.71 -0.53 0.00 0.00 176.83 178.31 1tm9 h THR 90 N 0.17 0.73 -3.10 2.23 1.35 -1.91 -3.36 112.91 109.02 1tm9 h THR 90 Ca 0.05 -0.25 -0.49 0.00 -0.55 0.00 0.00 66.41 65.17 1tm9 h THR 90 Cb 0.58 -0.06 -0.40 0.00 -1.73 0.00 0.00 68.15 66.53 1tm9 h THR 90 CO 0.03 0.13 -0.76 0.20 -0.25 0.00 0.00 175.52 174.87 1tm9 s ASN 91 N -5.45 2.76 -0.09 5.36 0.01 -1.13 -5.00 114.94 111.40 1tm9 s ASN 91 Ca -0.12 -0.81 -0.18 0.00 -0.71 0.00 0.00 52.86 51.05 1tm9 s ASN 91 Cb 0.23 -0.40 -0.28 0.00 0.41 0.00 0.00 41.25 41.21 1tm9 s ASN 91 CO 0.79 -0.35 0.65 -1.28 -1.51 0.00 0.00 177.10 175.40 1tm9 h SER 92 N 8.34 0.40 -0.89 -1.22 0.87 -1.68 -2.87 113.55 116.51 1tm9 h SER 92 Ca -0.16 -0.87 0.15 0.00 -1.23 0.00 0.00 61.79 59.68 1tm9 h SER 92 Cb 1.12 -0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 62.80 1tm9 h SER 92 CO 0.33 1.55 -0.31 1.21 -0.53 0.00 0.00 176.83 179.09 1tm9 n GLU 93 N -3.99 -0.17 -0.04 2.24 2.13 -1.26 0.15 120.64 119.70 1tm9 n GLU 93 Ca -0.22 1.37 -0.14 0.00 0.66 0.00 0.00 57.16 58.83 1tm9 n GLU 93 Cb 0.88 -2.04 -0.11 0.00 0.27 0.00 0.00 31.44 30.43 1tm9 n GLU 93 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1tm9 h PRO 94 N 0.00 0.05 -1.13 5.31 0.13 -1.94 -2.85 132.00 131.57 1tm9 h PRO 94 Ca 0.34 -0.05 0.32 0.00 -0.87 0.00 0.00 66.00 65.75 1tm9 h PRO 94 Cb 0.57 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 1tm9 h PRO 94 CO -0.89 0.79 0.80 0.00 -0.23 0.00 0.00 178.00 178.47 1tm9 h ALA 95 N 0.26 2.93 0.29 -0.56 0.00 -0.69 1.82 119.26 123.32 1tm9 h ALA 95 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tm9 h ALA 95 Cb 0.81 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1tm9 h ALA 95 CO 0.01 -1.27 -0.14 0.82 0.00 0.00 0.00 179.25 178.67 1tm9 h ILE 96 N 0.07 0.43 -0.54 0.00 2.04 0.14 0.83 117.51 120.49 1tm9 h ILE 96 Ca 0.56 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1tm9 h ILE 96 Cb 2.07 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1tm9 h ILE 96 CO -0.06 0.11 0.33 0.40 0.00 0.00 0.00 178.15 178.92 1tm9 h ILE 97 N -0.99 1.15 0.00 -0.67 5.03 -0.57 0.63 117.51 122.09 1tm9 h ILE 97 Ca -0.04 -0.33 -0.09 0.00 -0.12 0.00 0.00 64.86 64.28 1tm9 h ILE 97 Cb 0.48 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.65 1tm9 h ILE 97 CO 0.07 0.16 -0.43 0.15 -0.68 0.00 0.00 178.15 177.41 1tm9 h PHE 98 N 0.73 0.00 0.21 1.37 3.04 0.27 -2.84 116.94 119.72 1tm9 h PHE 98 Ca 0.19 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1tm9 h PHE 98 Cb -0.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1tm9 h PHE 98 CO 0.00 0.43 -0.10 0.00 -2.02 0.00 0.00 178.31 176.62 1tm9 h VAL 100 N -1.05 0.00 0.03 0.00 2.07 -0.99 0.38 116.25 116.70 1tm9 h VAL 100 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1tm9 h VAL 100 Cb 0.31 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1tm9 h VAL 100 CO 0.05 0.00 -0.46 0.40 0.02 0.00 0.00 177.57 177.58 1tm9 h ILE 101 N -0.00 0.10 0.00 4.57 1.08 -1.60 -1.98 117.51 119.68 1tm9 h ILE 101 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.80 1tm9 h ILE 101 Cb 0.58 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1tm9 h ILE 101 CO -0.98 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 175.26 1tm9 n TYR 102 N -5.46 0.00 -0.29 1.37 4.02 0.12 -1.36 117.16 115.55 1tm9 n TYR 102 Ca -0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.75 1tm9 n TYR 102 Cb 0.38 -0.37 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 1tm9 n TYR 102 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1tm9 n PHE 103 N -2.31 -0.27 -0.05 -0.72 7.35 -0.26 0.19 117.46 121.39 1tm9 n PHE 103 Ca 0.00 0.88 -0.03 0.00 -0.76 0.00 0.00 57.45 57.54 1tm9 n PHE 103 Cb 0.00 -0.58 -0.02 0.00 0.35 0.00 0.00 39.48 39.23 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 -0.46 -0.36 -2.13 3.38 -0.66 1.95 115.31 117.03 1tm9 h LEU 104 Ca 0.13 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1tm9 h LEU 104 Cb 0.30 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1tm9 h LEU 104 CO -0.67 -0.09 -0.01 1.88 0.09 0.00 0.00 178.44 179.64 1tm9 h TYR 105 N -0.07 -0.05 -0.28 1.13 0.05 0.57 1.42 116.97 119.75 1tm9 h TYR 105 Ca 0.02 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.89 1tm9 h TYR 105 Cb 0.13 0.08 -0.07 0.00 1.01 0.00 0.00 36.73 37.88 1tm9 h TYR 105 CO -0.71 -0.08 -0.16 1.25 -1.05 0.00 0.00 178.16 177.41 1tm9 h HIS 106 N 0.08 -0.39 -0.32 4.88 2.76 0.32 -1.32 115.15 121.16 1tm9 h HIS 106 Ca 0.17 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.25 1tm9 h HIS 106 Cb 0.24 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1tm9 h HIS 106 CO -0.26 -0.23 -0.30 0.74 -1.30 0.00 0.00 177.93 176.58 1tm9 h PHE 107 N -0.13 0.79 0.00 5.26 -1.00 0.38 -3.48 116.94 118.76 1tm9 h PHE 107 Ca 0.15 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1tm9 h PHE 107 Cb 0.35 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1tm9 h PHE 107 CO -0.34 0.90 0.00 0.41 -1.61 0.00 0.00 178.31 177.67 1tm9 n GLY 108 N -0.15 0.76 2.00 -1.45 0.00 0.48 -5.07 105.19 101.77 1tm9 n GLY 108 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.07 -1.54 1.61 3.72 -0.70 -4.97 117.46 114.51 1tm9 n PHE 109 Ca 0.00 0.19 -0.36 0.00 -0.05 0.00 0.00 57.45 57.23 1tm9 n PHE 109 Cb 0.00 0.60 0.08 0.00 -0.94 0.00 0.00 39.48 39.23 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 -2.86 5.37 -4.76 4.37 4.77 -1.26 -4.98 117.00 117.65 1tm9 n LEU 110 Ca 0.00 0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 56.38 1tm9 n LEU 110 Cb 0.00 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.48 1tm9 n LEU 110 CO 0.00 -1.28 -0.26 -0.54 -1.33 0.00 0.00 177.39 173.98 1tm9 s LYS 111 N -3.53 3.14 -0.12 3.23 -0.14 -1.26 -4.86 119.74 116.20 1tm9 s LYS 111 Ca 0.80 -0.33 -0.05 0.00 -1.36 0.00 0.00 55.97 55.03 1tm9 s LYS 111 Cb -0.36 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 32.92 1tm9 s LYS 111 CO 0.44 0.72 0.25 0.16 -0.76 0.00 0.00 175.35 176.16 1tm9 s ASP 112 N -1.05 0.14 0.45 2.83 1.47 -1.26 -4.82 116.67 114.42 1tm9 s ASP 112 Ca 0.15 0.55 -0.20 0.00 1.18 0.00 0.00 52.55 54.23 1tm9 s ASP 112 Cb -0.12 0.56 -0.10 0.00 -0.34 0.00 0.00 42.92 42.92 1tm9 s ASP 112 CO 0.04 -0.21 0.97 0.20 0.68 0.00 0.00 175.17 176.86 1tm9 s ASN 113 N 1.96 6.78 0.20 2.11 -0.87 -1.26 -4.80 114.94 119.06 1tm9 s ASN 113 Ca -0.03 1.73 0.00 0.00 -1.57 0.00 0.00 52.86 52.99 1tm9 s ASN 113 Cb -0.11 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1tm9 s ASN 113 CO -0.08 -0.47 0.00 -3.20 -2.57 0.00 0.00 177.10 170.77 1tm9 n ASN 114 N -0.79 -5.88 -4.12 -1.22 2.85 -1.26 -4.88 115.26 99.96 1tm9 n ASN 114 Ca 0.07 0.70 -0.37 0.00 -0.11 0.00 0.00 54.58 54.88 1tm9 n ASN 114 Cb 0.54 -2.19 -0.07 0.00 1.24 0.00 0.00 39.78 39.30 1tm9 n ASN 114 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1tm9 s LYS 115 N -2.98 3.20 -0.30 1.20 1.02 -1.26 -4.75 119.74 115.87 1tm9 s LYS 115 Ca 0.00 -3.15 -0.18 0.00 0.02 0.00 0.00 55.97 52.66 1tm9 s LYS 115 Cb 0.00 -3.95 0.19 0.00 -0.52 0.00 0.00 37.83 33.55 1tm9 s LYS 115 CO 0.00 -1.25 1.21 0.21 -0.92 0.00 0.00 175.35 174.60 1tm9 s LYS 116 N -1.13 0.10 -1.14 1.68 2.36 -1.26 -4.94 119.74 115.40 1tm9 s LYS 116 Ca 0.26 0.24 -0.14 0.00 -2.55 0.00 0.00 55.97 53.77 1tm9 s LYS 116 Cb -0.09 0.12 0.14 0.00 -1.05 0.00 0.00 37.83 36.95 1tm9 s LYS 116 CO -0.11 -0.03 0.36 0.00 1.55 0.00 0.00 175.35 177.12 1tm9 n GLN 117 N 4.36 -1.49 -0.53 4.03 10.64 -1.26 -4.87 117.38 128.26 1tm9 n GLN 117 Ca -0.09 0.08 -0.07 0.00 -1.83 0.00 0.00 57.00 55.09 1tm9 n GLN 117 Cb 0.55 -4.34 0.05 0.00 -0.86 0.00 0.00 30.24 25.63 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 -3.30 0.00 0.00 -0.39 0.13 -1.26 -4.67 119.36 109.87 1tm9 n ILE 118 Ca 0.07 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.47 1tm9 n ILE 118 Cb 0.44 -1.81 0.00 0.00 -0.84 0.00 0.00 39.64 37.43 1tm9 n ILE 118 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1tm9 n ILE 119 N -2.36 0.00 -0.32 9.51 2.08 -1.26 -0.13 119.36 126.88 1tm9 n ILE 119 Ca 0.04 1.45 0.11 0.00 0.56 0.00 0.00 62.75 64.90 1tm9 n ILE 119 Cb 0.14 -2.15 0.23 0.00 -0.75 0.00 0.00 39.64 37.11 1tm9 n ILE 119 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1tm9 h LYS 120 N 0.00 0.04 -0.78 0.38 1.57 -1.97 1.71 116.57 117.53 1tm9 h LYS 120 Ca 0.00 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1tm9 h LYS 120 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.20 1tm9 h LYS 120 CO 0.00 0.03 0.33 -0.22 -0.57 0.00 0.00 179.45 179.02 1tm9 h LYS 121 N 0.04 0.46 0.18 3.15 3.11 -1.53 0.48 116.57 122.46 1tm9 h LYS 121 Ca 0.53 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.33 1tm9 h LYS 121 Cb 1.02 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1tm9 h LYS 121 CO -0.85 0.31 -0.09 0.00 -2.81 0.00 0.00 179.45 176.01 1tm9 h ALA 122 N 1.56 -0.41 -1.76 5.00 0.00 0.57 -0.77 119.26 123.44 1tm9 h ALA 122 Ca 0.43 -0.05 0.54 0.00 0.00 0.00 0.00 54.91 55.82 1tm9 h ALA 122 Cb 0.65 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1tm9 h ALA 122 CO -0.40 -0.40 1.24 1.88 0.00 0.00 0.00 179.25 181.57 1tm9 h TYR 123 N -0.57 0.17 0.19 0.00 0.05 0.29 1.61 116.97 118.70 1tm9 h TYR 123 Ca -0.02 0.01 -0.26 0.00 0.05 0.00 0.00 58.73 58.50 1tm9 h TYR 123 Cb 0.18 -0.04 0.03 0.00 1.01 0.00 0.00 36.73 37.91 1tm9 h TYR 123 CO 0.04 -0.09 -1.16 1.49 -1.05 0.00 0.00 178.16 177.39 1tm9 h GLU 124 N 0.01 0.39 -0.72 4.88 4.57 -0.06 -1.89 114.58 121.76 1tm9 h GLU 124 Ca 0.91 -0.67 0.21 0.00 -1.18 0.00 0.00 59.36 58.62 1tm9 h GLU 124 Cb 3.43 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 32.24 1tm9 h GLU 124 CO -0.16 1.32 0.60 0.00 -1.18 0.00 0.00 179.01 179.59 1tm9 h THR 125 N -0.15 0.46 0.00 0.32 1.03 0.39 0.20 112.91 115.16 1tm9 h THR 125 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1tm9 h THR 125 Cb 1.88 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 1tm9 h THR 125 CO 0.19 0.00 -0.40 -0.38 -0.01 0.00 0.00 175.52 174.93 1tm9 n ILE 126 N -4.01 1.05 -0.67 0.00 5.41 -0.72 -2.53 119.36 117.88 1tm9 n ILE 126 Ca 0.14 0.29 0.51 0.00 1.00 0.00 0.00 62.75 64.70 1tm9 n ILE 126 Cb 0.86 -2.16 0.79 0.00 -0.71 0.00 0.00 39.64 38.42 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 -3.32 1.83 -0.03 -1.39 0.00 -0.71 0.21 120.51 117.10 1tm9 n ALA 127 Ca -0.06 0.63 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1tm9 n ALA 127 Cb 0.21 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 1tm9 n ALA 127 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1tm9 h ASP 128 N 0.00 0.00 -0.56 0.00 5.19 -0.76 -3.11 116.42 117.17 1tm9 h ASP 128 Ca 0.90 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 57.43 1tm9 h ASP 128 Cb 3.71 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 43.12 1tm9 h ASP 128 CO -0.01 0.31 -0.05 -1.13 -3.12 0.00 0.00 179.24 175.24 1tm9 h ASN 129 N -0.56 -0.35 -0.12 6.45 -0.73 -0.25 1.34 115.58 121.37 1tm9 h ASN 129 Ca 0.00 0.15 0.04 0.00 1.87 0.00 0.00 56.30 58.35 1tm9 h ASN 129 Cb 0.06 0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.93 1tm9 h ASN 129 CO 0.00 -0.13 0.24 -0.29 -0.37 0.00 0.00 177.43 176.87 1tm9 h ILE 130 N 0.07 0.23 -0.25 2.57 2.10 0.23 1.45 117.51 123.90 1tm9 h ILE 130 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.22 1tm9 h ILE 130 Cb 0.45 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1tm9 h ILE 130 CO -0.52 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 176.55 1tm9 n ALA 131 N -2.15 2.48 0.05 0.18 0.00 0.46 -3.81 120.51 117.72 1tm9 n ALA 131 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 1tm9 n ALA 131 Cb 0.33 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 1.48 -0.19 1.59 0.00 1.82 0.22 -3.28 116.42 118.07 1tm9 h ASP 132 Ca 0.00 -0.31 -0.01 0.00 -0.39 0.00 0.00 57.03 56.32 1tm9 h ASP 132 Cb 0.37 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 1tm9 h ASP 132 CO 0.01 0.38 -0.03 0.10 -1.61 0.00 0.00 179.24 178.08 1tm9 h TYR 133 N -0.93 0.00 0.00 0.28 -0.00 -1.72 -3.36 116.97 111.24 1tm9 h TYR 133 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.71 1tm9 h TYR 133 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.22 1tm9 h TYR 133 CO 0.08 0.03 0.00 1.28 -0.00 0.00 0.00 178.16 179.55 1tm9 n LEU 134 N -3.12 0.00 -2.28 0.10 4.77 -1.24 -4.97 117.00 110.27 1tm9 n LEU 134 Ca 0.03 0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 1tm9 n LEU 134 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1tm9 n LEU 134 CO 0.32 0.00 -0.16 0.59 -1.33 0.00 0.00 177.39 176.81 1tm9 n ASN 135 N -0.71 -5.70 -3.02 -1.43 4.13 -1.25 -5.04 115.26 102.25 1tm9 n ASN 135 Ca 0.00 0.65 -0.17 0.00 1.68 0.00 0.00 54.58 56.74 1tm9 n ASN 135 Cb 0.00 -3.69 -0.03 0.00 -1.54 0.00 0.00 39.78 34.53 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1tm9 n GLU 136 N 0.09 0.66 0.00 3.52 4.71 -1.26 -5.18 120.64 123.18 1tm9 n GLU 136 Ca 0.03 -2.60 0.00 0.00 -0.01 0.00 0.00 57.16 54.58 1tm9 n GLU 136 Cb 0.12 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 1tm9 n GLU 136 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49