#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdt n PRO 3 N 0.00 1.47 -0.00 1.20 -0.02 -1.26 -4.93 135.00 131.45 1jdt n PRO 3 Ca 0.00 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1jdt n PRO 3 Cb 0.00 -2.03 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1jdt n PRO 3 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jdt n VAL 4 N 1.24 0.06 -0.06 -1.45 0.24 -1.26 -4.73 118.33 112.36 1jdt n VAL 4 Ca 0.12 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 1jdt n VAL 4 Cb 0.29 1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1jdt n VAL 4 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1jdt n HIS 5 N 0.28 0.00 -3.51 6.34 8.25 -1.26 -4.89 115.22 120.42 1jdt n HIS 5 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1jdt n HIS 5 Cb 0.14 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.73 1jdt n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jdt s ILE 6 N -2.22 4.77 -0.40 1.59 1.01 -1.26 -4.48 121.20 120.21 1jdt s ILE 6 Ca -0.16 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.45 1jdt s ILE 6 Cb 0.06 -3.80 0.25 0.00 0.01 0.00 0.00 42.46 38.98 1jdt s ILE 6 CO 0.22 -0.44 1.15 0.18 0.00 0.00 0.00 174.94 176.05 1jdt n LEU 7 N 5.06 3.58 -4.77 2.97 4.77 -1.26 -4.78 117.00 122.56 1jdt n LEU 7 Ca -0.11 -1.84 -0.37 0.00 -0.03 0.00 0.00 56.01 53.66 1jdt n LEU 7 Cb 0.44 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1jdt n LEU 7 CO 0.41 0.56 0.80 0.00 -1.33 0.00 0.00 177.39 177.83 1jdt s ALA 8 N -1.33 3.01 0.43 -1.18 0.00 -1.25 -4.95 121.76 116.47 1jdt s ALA 8 Ca 0.19 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1jdt s ALA 8 Cb 0.16 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 1jdt s ALA 8 CO 0.04 -0.53 0.90 0.15 0.00 0.00 0.00 175.76 176.32 1jdt s LYS 9 N -2.64 4.07 0.66 0.00 1.02 -1.26 -4.99 119.74 116.60 1jdt s LYS 9 Ca 0.62 0.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.36 1jdt s LYS 9 Cb -0.27 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1jdt s LYS 9 CO 0.33 -0.05 1.25 0.21 -0.92 0.00 0.00 175.35 176.17 1jdt s LYS 10 N -3.41 2.51 0.00 1.68 2.20 -1.26 -1.75 119.74 119.70 1jdt s LYS 10 Ca 0.59 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1jdt s LYS 10 Cb -0.10 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1jdt s LYS 10 CO 0.20 -1.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.01 1jdt n GLY 11 N 0.66 2.79 0.28 5.54 0.00 -1.26 -4.79 105.19 108.41 1jdt n GLY 11 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1jdt n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdt n GLU 12 N -2.00 0.79 -4.70 1.61 1.02 -0.72 -4.81 120.64 111.83 1jdt n GLU 12 Ca 0.00 -0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 56.24 1jdt n GLU 12 Cb 0.00 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.79 1jdt n GLU 12 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jdt s VAL 13 N -2.60 2.92 0.76 2.62 1.01 -1.26 -4.71 120.40 119.13 1jdt s VAL 13 Ca 0.19 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1jdt s VAL 13 Cb 0.18 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1jdt s VAL 13 CO 0.60 0.52 1.09 0.00 0.00 0.00 0.00 175.10 177.31 1jdt s ALA 14 N 0.51 2.48 0.24 5.51 0.00 -1.26 -4.70 121.76 124.55 1jdt s ALA 14 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1jdt s ALA 14 Cb -0.16 -3.10 0.27 0.00 0.00 0.00 0.00 23.12 20.14 1jdt s ALA 14 CO 0.04 -1.50 1.60 0.93 0.00 0.00 0.00 175.76 176.84 1jdt h GLU 15 N -0.92 0.42 -5.13 0.00 5.08 -1.84 -3.33 114.58 108.87 1jdt h GLU 15 Ca -0.46 -0.23 -0.62 0.00 -1.00 0.00 0.00 59.36 57.06 1jdt h GLU 15 Cb 1.26 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 1jdt h GLU 15 CO 0.60 0.79 -0.49 1.03 -1.00 0.00 0.00 179.01 179.95 1jdt s ARG 16 N -4.10 4.09 -0.02 2.33 3.00 -1.26 -1.58 118.95 121.41 1jdt s ARG 16 Ca -0.06 -0.24 0.04 0.00 0.00 0.00 0.00 55.73 55.46 1jdt s ARG 16 Cb 0.12 -3.52 -0.00 0.00 0.00 0.00 0.00 34.95 31.55 1jdt s ARG 16 CO 0.81 0.09 -0.13 0.08 0.00 0.00 0.00 175.30 176.15 1jdt s VAL 17 N 0.98 1.05 -0.35 3.52 1.01 -0.01 -2.17 120.40 124.42 1jdt s VAL 17 Ca 0.08 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1jdt s VAL 17 Cb -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1jdt s VAL 17 CO 0.04 0.31 0.21 -0.22 0.00 0.00 0.00 175.10 175.43 1jdt s LEU 18 N -0.07 4.49 -0.15 3.92 2.96 0.43 -1.68 118.68 128.58 1jdt s LEU 18 Ca 0.01 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.19 1jdt s LEU 18 Cb -0.08 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1jdt s LEU 18 CO 0.00 -0.29 0.06 0.68 -1.32 0.00 0.00 176.35 175.49 1jdt s VAL 19 N 1.63 4.83 0.07 1.68 -7.23 -0.35 -0.88 120.40 120.15 1jdt s VAL 19 Ca 0.04 -0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.22 1jdt s VAL 19 Cb -0.18 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1jdt s VAL 19 CO 0.08 0.52 -0.12 0.68 -0.31 0.00 0.00 175.10 175.96 1jdt s VAL 20 N -0.18 0.91 0.14 1.32 -7.23 0.11 -1.09 120.40 114.38 1jdt s VAL 20 Ca 0.08 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1jdt s VAL 20 Cb -0.12 -0.98 -0.17 0.00 0.56 0.00 0.00 36.38 35.66 1jdt s VAL 20 CO 0.01 -0.33 1.33 1.23 -0.31 0.00 0.00 175.10 177.03 1jdt h GLY 21 N 4.22 0.33 -6.72 2.32 0.00 -1.81 0.17 103.07 101.57 1jdt h GLY 21 Ca -0.39 -0.60 -0.62 0.00 0.00 0.00 0.00 47.33 45.73 1jdt h GLY 21 CO 0.43 0.53 0.08 -0.35 0.00 0.00 0.00 176.54 177.23 1jdt s ASP 22 N -7.01 6.48 0.41 0.19 -1.08 -1.26 -2.60 116.67 111.80 1jdt s ASP 22 Ca -0.04 0.47 0.13 0.00 -0.52 0.00 0.00 52.55 52.59 1jdt s ASP 22 Cb 0.09 -2.31 0.98 0.00 -1.46 0.00 0.00 42.92 40.23 1jdt s ASP 22 CO 0.85 -0.40 1.93 -0.65 0.52 0.00 0.00 175.17 177.41 1jdt h PRO 23 N 8.10 0.47 -0.23 4.34 0.11 -1.87 0.12 132.00 143.05 1jdt h PRO 23 Ca -0.27 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 1jdt h PRO 23 Cb 1.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1jdt h PRO 23 CO 0.77 0.31 -0.12 0.78 -0.21 0.00 0.00 178.00 179.53 1jdt h GLY 24 N 0.49 0.40 1.78 -0.55 0.00 -1.96 -2.01 103.07 101.23 1jdt h GLY 24 Ca 0.36 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 1jdt h GLY 24 CO -0.12 0.24 -0.75 -0.09 0.00 0.00 0.00 176.54 175.82 1jdt h ARG 25 N 0.35 0.21 -0.54 4.80 2.43 -1.40 -1.78 114.38 118.45 1jdt h ARG 25 Ca 0.07 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1jdt h ARG 25 Cb 0.43 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1jdt h ARG 25 CO 0.02 0.86 0.31 0.00 -1.51 0.00 0.00 179.97 179.66 1jdt h ALA 26 N 1.08 0.69 -0.15 2.80 0.00 -0.96 0.16 119.26 122.87 1jdt h ALA 26 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1jdt h ALA 26 Cb 1.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1jdt h ALA 26 CO 0.11 0.19 -0.01 -0.09 0.00 0.00 0.00 179.25 179.45 1jdt h ARG 27 N 0.73 0.28 -0.39 0.00 2.43 -1.29 -1.19 114.38 114.94 1jdt h ARG 27 Ca 0.19 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1jdt h ARG 27 Cb 0.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 1jdt h ARG 27 CO -0.03 0.51 0.11 1.25 -1.51 0.00 0.00 179.97 180.30 1jdt h LEU 28 N 0.01 0.08 -1.28 3.80 5.85 -1.04 -2.24 115.31 120.48 1jdt h LEU 28 Ca 0.04 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1jdt h LEU 28 Cb 0.39 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1jdt h LEU 28 CO 0.01 0.08 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.84 1jdt h LEU 29 N 0.25 0.00 -2.46 2.25 3.38 -0.61 -2.62 115.31 115.50 1jdt h LEU 29 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jdt h LEU 29 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jdt h LEU 29 CO -0.21 0.28 -0.01 0.77 0.09 0.00 0.00 178.44 179.35 1jdt h SER 30 N 0.00 0.00 0.21 -0.43 4.64 -0.58 -0.71 113.55 116.69 1jdt h SER 30 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jdt h SER 30 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1jdt h SER 30 CO 0.04 0.01 -0.02 0.74 -0.87 0.00 0.00 176.83 176.73 1jdt h THR 31 N 0.00 0.15 -0.01 2.95 2.02 -1.45 -1.20 112.91 115.37 1jdt h THR 31 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1jdt h THR 31 Cb 0.17 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1jdt h THR 31 CO 0.00 0.02 -0.25 0.18 0.37 0.00 0.00 175.52 175.83 1jdt n LEU 32 N -3.27 0.92 -4.95 2.58 4.77 -0.27 -4.90 117.00 111.88 1jdt n LEU 32 Ca -0.02 -0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.52 1jdt n LEU 32 Cb 0.13 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jdt n LEU 32 CO 0.24 0.17 0.25 -0.76 -1.33 0.00 0.00 177.39 175.96 1jdt s LEU 33 N -2.53 3.75 -0.20 2.23 1.43 -0.46 -4.95 118.68 117.95 1jdt s LEU 33 Ca 0.24 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 1jdt s LEU 33 Cb 0.19 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1jdt s LEU 33 CO 0.53 -0.59 0.40 -1.10 0.23 0.00 0.00 176.35 175.82 1jdt s GLN 34 N -4.49 4.18 -1.22 1.70 -0.21 0.36 -4.42 119.66 115.56 1jdt s GLN 34 Ca 0.46 0.21 -0.09 0.00 0.02 0.00 0.00 55.36 55.95 1jdt s GLN 34 Cb -0.10 -3.54 -0.01 0.00 1.00 0.00 0.00 33.01 30.36 1jdt s GLN 34 CO 0.37 -0.04 0.72 -1.71 -2.12 0.00 0.00 175.29 172.52 1jdt n ASN 35 N 4.46 -3.36 -4.75 5.90 4.05 -1.26 -2.09 115.26 118.21 1jdt n ASN 35 Ca -0.08 -0.91 -0.41 0.00 0.45 0.00 0.00 54.58 53.62 1jdt n ASN 35 Cb 0.51 -3.78 -0.02 0.00 1.23 0.00 0.00 39.78 37.72 1jdt n ASN 35 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1jdt s PRO 36 N -5.87 4.23 -0.05 1.20 0.02 -1.26 -4.63 135.00 128.64 1jdt s PRO 36 Ca 0.25 2.37 0.05 0.00 0.02 0.00 0.00 61.00 63.69 1jdt s PRO 36 Cb -0.08 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 1jdt s PRO 36 CO 0.83 -0.45 -0.21 0.15 -0.33 0.00 0.00 177.00 176.99 1jdt s LYS 37 N -0.60 2.23 -0.61 5.54 -0.14 -0.22 -4.94 119.74 121.00 1jdt s LYS 37 Ca 0.59 -0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 54.16 1jdt s LYS 37 Cb -0.43 -1.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.86 1jdt s LYS 37 CO 0.46 0.31 1.14 -1.17 -0.76 0.00 0.00 175.35 175.33 1jdt s LEU 38 N -0.04 3.59 0.00 3.17 0.20 -1.26 -0.72 118.68 123.62 1jdt s LEU 38 Ca -0.05 -0.17 0.26 0.00 0.69 0.00 0.00 54.13 54.86 1jdt s LEU 38 Cb -0.13 -2.93 0.67 0.00 -0.43 0.00 0.00 46.19 43.37 1jdt s LEU 38 CO 0.03 -1.49 1.53 0.35 -0.29 0.00 0.00 176.35 176.48 1jdt n THR 39 N 6.46 0.00 -3.63 3.68 -2.24 0.49 -4.93 114.28 114.12 1jdt n THR 39 Ca 0.05 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1jdt n THR 39 Cb 0.48 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1jdt n THR 39 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jdt s ASN 40 N -2.94 -0.42 0.00 3.42 2.47 -1.18 -3.96 114.94 112.33 1jdt s ASN 40 Ca 0.13 0.75 0.00 0.00 0.42 0.00 0.00 52.86 54.16 1jdt s ASN 40 Cb 0.18 0.74 0.00 0.00 -1.45 0.00 0.00 41.25 40.72 1jdt s ASN 40 CO 0.65 -0.18 0.08 -1.84 -3.72 0.00 0.00 177.10 172.08 1jdt n GLU 41 N 1.90 -0.14 -1.69 0.43 0.28 -1.26 -1.74 120.64 118.42 1jdt n GLU 41 Ca -0.12 -0.08 -0.43 0.00 -0.16 0.00 0.00 57.16 56.37 1jdt n GLU 41 Cb 0.56 -0.57 -0.01 0.00 1.43 0.00 0.00 31.44 32.85 1jdt n GLU 41 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1jdt n ASN 42 N -0.00 2.80 -1.28 -1.84 5.15 -1.26 -1.49 115.26 117.33 1jdt n ASN 42 Ca 0.00 1.19 -0.13 0.00 -0.60 0.00 0.00 54.58 55.04 1jdt n ASN 42 Cb 0.22 -1.47 -0.06 0.00 -0.53 0.00 0.00 39.78 37.94 1jdt n ASN 42 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1jdt n ARG 43 N 0.95 -1.40 -0.35 1.20 1.74 -1.26 -1.18 116.66 116.36 1jdt n ARG 43 Ca 0.06 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1jdt n ARG 43 Cb 0.35 -5.06 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1jdt n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdt n GLY 44 N -0.17 1.74 3.57 -0.13 0.00 -0.56 -4.97 105.19 104.68 1jdt n GLY 44 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1jdt n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdt s PHE 45 N -3.15 2.68 0.17 1.61 0.40 -0.33 -4.81 117.98 114.55 1jdt s PHE 45 Ca 0.00 -1.30 -0.31 0.00 -0.60 0.00 0.00 56.93 54.72 1jdt s PHE 45 Cb 0.00 -4.74 -0.09 0.00 0.51 0.00 0.00 43.02 38.71 1jdt s PHE 45 CO 0.00 -1.86 1.41 -0.51 0.70 0.00 0.00 175.22 174.96 1jdt s LEU 46 N 4.54 4.38 -0.08 -0.37 1.43 -1.26 -4.23 118.68 123.10 1jdt s LEU 46 Ca 0.51 2.46 0.01 0.00 -1.03 0.00 0.00 54.13 56.08 1jdt s LEU 46 Cb 0.02 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.66 1jdt s LEU 46 CO 0.01 -0.66 -0.09 -0.69 0.23 0.00 0.00 176.35 175.14 1jdt s VAL 47 N 0.64 1.02 0.00 -1.59 1.01 -0.71 -1.38 120.40 119.39 1jdt s VAL 47 Ca 0.62 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1jdt s VAL 47 Cb -0.39 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1jdt s VAL 47 CO 0.35 0.34 -0.20 -0.31 0.00 0.00 0.00 175.10 175.28 1jdt s TYR 48 N 1.12 2.50 -0.04 5.22 1.51 -0.03 -0.38 117.35 127.25 1jdt s TYR 48 Ca -0.06 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1jdt s TYR 48 Cb -0.14 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1jdt s TYR 48 CO -0.01 0.14 -0.12 0.99 -1.11 0.00 0.00 175.55 175.44 1jdt s THR 49 N -0.78 1.02 0.00 -0.71 2.01 0.10 -0.46 115.64 116.81 1jdt s THR 49 Ca 0.12 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1jdt s THR 49 Cb -0.10 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1jdt s THR 49 CO 0.02 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1jdt n GLY 50 N 3.45 2.15 3.54 4.40 0.00 -0.48 -1.06 105.19 117.19 1jdt n GLY 50 Ca -0.20 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1jdt n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdt s LYS 51 N 0.82 1.94 -0.28 1.61 1.02 -0.89 -0.80 119.74 123.16 1jdt s LYS 51 Ca 0.00 -1.51 -0.10 0.00 0.02 0.00 0.00 55.97 54.38 1jdt s LYS 51 Cb 0.00 -1.99 0.12 0.00 -0.52 0.00 0.00 37.83 35.44 1jdt s LYS 51 CO 0.00 0.37 0.61 -0.47 -0.92 0.00 0.00 175.35 174.95 1jdt s TYR 52 N -2.16 -1.23 -1.16 3.18 5.04 -0.19 -0.48 117.35 120.36 1jdt s TYR 52 Ca 0.28 2.18 -0.18 0.00 -2.44 0.00 0.00 57.07 56.90 1jdt s TYR 52 Cb -0.07 0.71 -0.01 0.00 0.35 0.00 0.00 41.96 42.94 1jdt s TYR 52 CO 0.16 -0.62 0.78 0.09 -1.34 0.00 0.00 175.55 174.61 1jdt n ASN 53 N 5.33 -4.94 -4.10 4.32 3.02 -1.26 -2.11 115.26 115.51 1jdt n ASN 53 Ca -0.12 -1.00 -0.32 0.00 -0.03 0.00 0.00 54.58 53.12 1jdt n ASN 53 Cb 0.50 -3.47 -0.02 0.00 -0.61 0.00 0.00 39.78 36.18 1jdt n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdt n GLY 54 N -1.67 -0.36 3.35 7.41 0.00 -1.26 -4.95 105.19 107.71 1jdt n GLY 54 Ca -0.11 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1jdt n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdt s GLU 55 N -6.78 0.53 0.06 1.61 2.56 -0.90 -5.14 118.70 110.64 1jdt s GLU 55 Ca 0.44 0.63 -0.29 0.00 0.00 0.00 0.00 54.97 55.75 1jdt s GLU 55 Cb -0.24 0.26 -0.05 0.00 2.00 0.00 0.00 34.13 36.10 1jdt s GLU 55 CO 0.91 -0.06 0.94 0.99 -0.56 0.00 0.00 175.26 177.47 1jdt s THR 56 N 0.25 4.67 -0.02 -1.70 2.01 -1.26 -1.02 115.64 118.57 1jdt s THR 56 Ca -0.00 2.00 -0.05 0.00 0.31 0.00 0.00 61.69 63.95 1jdt s THR 56 Cb -0.03 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1jdt s THR 56 CO 0.01 0.26 0.11 -0.69 -0.69 0.00 0.00 174.62 173.62 1jdt s VAL 57 N 0.38 0.05 0.14 3.82 1.01 0.02 -4.54 120.40 121.27 1jdt s VAL 57 Ca 0.47 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.17 1jdt s VAL 57 Cb -0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1jdt s VAL 57 CO 0.28 -0.21 -0.19 -0.44 0.00 0.00 0.00 175.10 174.54 1jdt s SER 58 N -0.68 3.79 -0.15 3.32 0.01 -0.92 -1.38 113.70 117.68 1jdt s SER 58 Ca -0.08 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1jdt s SER 58 Cb -0.05 -0.48 0.02 0.00 0.21 0.00 0.00 66.02 65.72 1jdt s SER 58 CO 0.01 0.16 -0.17 -0.63 0.41 0.00 0.00 173.24 173.01 1jdt s ILE 59 N -1.27 1.80 0.08 1.44 1.01 0.39 -0.43 121.20 124.21 1jdt s ILE 59 Ca 0.19 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.13 1jdt s ILE 59 Cb -0.10 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1jdt s ILE 59 CO 0.10 0.50 -0.21 0.00 0.00 0.00 0.00 174.94 175.33 1jdt s ALA 60 N 1.25 1.79 -0.08 9.38 0.00 -0.06 -0.86 121.76 133.19 1jdt s ALA 60 Ca 0.02 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1jdt s ALA 60 Cb -0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1jdt s ALA 60 CO -0.09 0.38 0.53 0.99 0.00 0.00 0.00 175.76 177.57 1jdt s THR 61 N -1.02 5.09 -0.81 0.00 2.01 -0.48 -0.71 115.64 119.72 1jdt s THR 61 Ca 0.07 1.08 0.07 0.00 0.31 0.00 0.00 61.69 63.22 1jdt s THR 61 Cb -0.10 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1jdt s THR 61 CO 0.03 0.36 0.75 0.00 -0.69 0.00 0.00 174.62 175.06 1jdt n HIS 62 N 3.33 0.02 -4.56 4.92 1.44 0.60 -4.70 115.22 116.27 1jdt n HIS 62 Ca -0.07 -0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1jdt n HIS 62 Cb 0.51 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1jdt n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jdt n GLY 63 N 0.35 -0.31 3.57 -1.39 0.00 -1.07 -3.34 105.19 103.00 1jdt n GLY 63 Ca 0.04 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1jdt n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdt s ILE 64 N 0.00 3.88 0.00 -0.61 1.01 -1.26 -4.53 121.20 119.69 1jdt s ILE 64 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1jdt s ILE 64 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1jdt s ILE 64 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1jdt n GLY 65 N 2.72 0.39 0.17 6.18 0.00 -1.26 -4.33 105.19 109.05 1jdt n GLY 65 Ca -0.18 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 1jdt n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdt h GLY 66 N 0.00 0.01 0.54 -0.02 0.00 -1.91 -1.91 103.07 99.78 1jdt h GLY 66 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.56 1jdt h GLY 66 CO 0.00 -0.13 0.41 -2.55 0.00 0.00 0.00 176.54 174.27 1jdt h PRO 67 N -0.12 0.68 0.49 4.80 0.11 -1.95 -0.07 132.00 135.94 1jdt h PRO 67 Ca 0.10 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1jdt h PRO 67 Cb 0.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1jdt h PRO 67 CO -0.24 0.45 -0.24 1.03 -0.21 0.00 0.00 178.00 178.79 1jdt h SER 68 N 0.70 -0.56 -0.10 -2.05 0.87 -1.68 -2.66 113.55 108.07 1jdt h SER 68 Ca 0.36 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1jdt h SER 68 Cb 0.32 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1jdt h SER 68 CO -0.24 -0.32 -0.07 -0.29 -0.53 0.00 0.00 176.83 175.38 1jdt h ILE 69 N -0.77 1.19 -0.78 2.23 2.10 -1.13 -2.22 117.51 118.12 1jdt h ILE 69 Ca -0.07 -0.78 0.01 0.00 1.08 0.00 0.00 64.86 65.10 1jdt h ILE 69 Cb 0.56 1.09 -0.04 0.00 -1.09 0.00 0.00 36.82 37.33 1jdt h ILE 69 CO 0.11 0.26 0.52 0.00 -1.08 0.00 0.00 178.15 177.95 1jdt h ALA 70 N 1.58 1.00 -0.10 0.18 0.00 -0.94 0.01 119.26 120.97 1jdt h ALA 70 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jdt h ALA 70 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jdt h ALA 70 CO 0.02 0.39 0.03 0.82 0.00 0.00 0.00 179.25 180.51 1jdt h ILE 71 N 1.05 1.19 -0.39 0.00 2.04 -1.07 -1.78 117.51 118.55 1jdt h ILE 71 Ca 0.29 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1jdt h ILE 71 Cb -0.11 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1jdt h ILE 71 CO -0.07 0.17 0.23 0.58 0.00 0.00 0.00 178.15 179.06 1jdt h VAL 72 N -0.03 1.13 -0.17 1.67 2.07 -1.03 -1.73 116.25 118.16 1jdt h VAL 72 Ca 0.03 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1jdt h VAL 72 Cb 0.24 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1jdt h VAL 72 CO -0.00 0.14 0.09 -0.07 0.02 0.00 0.00 177.57 177.74 1jdt h LEU 73 N 0.50 0.22 -0.38 2.57 3.38 -1.01 -0.07 115.31 120.52 1jdt h LEU 73 Ca 0.14 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1jdt h LEU 73 Cb 0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1jdt h LEU 73 CO -0.02 0.26 0.00 -0.33 0.09 0.00 0.00 178.44 178.43 1jdt h GLU 74 N 0.16 0.10 -0.38 1.13 4.39 -1.12 -0.44 114.58 118.43 1jdt h GLU 74 Ca 0.06 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 1jdt h GLU 74 Cb 0.09 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1jdt h GLU 74 CO -0.01 0.07 -0.30 0.93 -1.16 0.00 0.00 179.01 178.54 1jdt h GLU 75 N 0.11 0.82 -0.69 2.33 5.08 -1.17 -1.72 114.58 119.34 1jdt h GLU 75 Ca 0.18 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1jdt h GLU 75 Cb 0.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1jdt h GLU 75 CO -0.31 1.01 0.19 -0.07 -1.00 0.00 0.00 179.01 178.84 1jdt h LEU 76 N 0.70 1.02 -1.03 1.33 3.38 -0.66 -2.04 115.31 118.00 1jdt h LEU 76 Ca 0.08 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1jdt h LEU 76 Cb 0.85 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1jdt h LEU 76 CO 0.07 0.96 0.14 0.00 0.09 0.00 0.00 178.44 179.70 1jdt h ALA 77 N 1.17 1.21 0.00 1.53 0.00 -0.88 -0.65 119.26 121.64 1jdt h ALA 77 Ca 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jdt h ALA 77 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jdt h ALA 77 CO -0.00 0.54 -0.19 0.52 0.00 0.00 0.00 179.25 180.12 1jdt h MET 78 N 0.81 0.00 -0.41 0.00 2.86 -0.72 -1.90 114.93 115.57 1jdt h MET 78 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1jdt h MET 78 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1jdt h MET 78 CO -0.00 0.19 0.00 1.28 1.06 0.00 0.00 176.91 179.44 1jdt n LEU 79 N -3.78 2.69 0.00 1.22 4.77 -0.37 -4.93 117.00 116.60 1jdt n LEU 79 Ca -0.02 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1jdt n LEU 79 Cb 0.29 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1jdt n LEU 79 CO 0.33 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1jdt n GLY 80 N 1.33 1.02 3.78 -0.72 0.00 -0.71 -4.17 105.19 105.71 1jdt n GLY 80 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1jdt n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdt s ALA 81 N -2.00 3.10 0.00 4.61 0.00 -0.51 -4.30 121.76 122.66 1jdt s ALA 81 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1jdt s ALA 81 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1jdt s ALA 81 CO 0.00 -0.20 0.00 0.27 0.00 0.00 0.00 175.76 175.83 1jdt n ASN 82 N -0.01 0.00 -3.91 0.00 0.23 -0.61 -4.16 115.26 106.80 1jdt n ASN 82 Ca 0.05 -0.59 -0.26 0.00 -0.53 0.00 0.00 54.58 53.25 1jdt n ASN 82 Cb 0.49 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.02 1jdt n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jdt s VAL 83 N 0.00 0.96 -0.03 3.53 1.01 -0.84 -1.20 120.40 123.84 1jdt s VAL 83 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1jdt s VAL 83 Cb 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1jdt s VAL 83 CO 0.00 0.35 -0.12 -0.36 0.00 0.00 0.00 175.10 174.97 1jdt s PHE 84 N 1.57 1.21 -0.17 5.22 0.40 -0.24 -0.83 117.98 125.13 1jdt s PHE 84 Ca 0.02 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1jdt s PHE 84 Cb -0.13 -0.83 0.04 0.00 0.51 0.00 0.00 43.02 42.61 1jdt s PHE 84 CO -0.06 -0.10 -0.07 0.42 0.70 0.00 0.00 175.22 176.11 1jdt s ILE 85 N 0.04 1.29 -0.03 0.64 1.01 -0.68 -1.82 121.20 121.66 1jdt s ILE 85 Ca -0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1jdt s ILE 85 Cb -0.09 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1jdt s ILE 85 CO 0.01 0.17 1.08 -0.60 0.00 0.00 0.00 174.94 175.59 1jdt s ARG 86 N 1.56 4.45 -0.44 2.79 3.00 0.04 -1.21 118.95 129.14 1jdt s ARG 86 Ca 0.00 1.53 0.02 0.00 -1.00 0.00 0.00 55.73 56.29 1jdt s ARG 86 Cb -0.15 -3.48 0.13 0.00 0.00 0.00 0.00 34.95 31.44 1jdt s ARG 86 CO -0.08 -0.25 0.22 -0.47 0.00 0.00 0.00 175.30 174.72 1jdt s TYR 87 N 1.55 2.31 0.00 5.12 5.04 -0.25 -1.14 117.35 129.98 1jdt s TYR 87 Ca 0.53 -2.56 0.00 0.00 -2.44 0.00 0.00 57.07 52.61 1jdt s TYR 87 Cb -0.23 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 39.95 1jdt s TYR 87 CO 0.24 -0.79 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 1jdt n GLY 88 N 3.61 7.49 3.50 8.97 0.00 -1.09 -4.56 105.19 123.12 1jdt n GLY 88 Ca 0.07 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 1jdt n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdt s THR 89 N 0.89 2.67 0.07 2.61 -4.23 -1.26 -1.03 115.64 115.35 1jdt s THR 89 Ca 0.00 -2.26 -0.18 0.00 -1.18 0.00 0.00 61.69 58.07 1jdt s THR 89 Cb 0.00 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1jdt s THR 89 CO 0.00 -0.36 0.41 0.28 -0.54 0.00 0.00 174.62 174.41 1jdt s THR 90 N -2.38 0.06 -0.27 3.99 -1.32 -0.38 -4.80 115.64 110.54 1jdt s THR 90 Ca 0.29 -0.49 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 1jdt s THR 90 Cb -0.06 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 1jdt s THR 90 CO 0.15 -0.27 0.18 -0.83 -2.21 0.00 0.00 174.62 171.64 1jdt s GLY 91 N -2.21 1.93 0.32 6.08 0.00 -0.41 -1.65 107.32 111.37 1jdt s GLY 91 Ca -0.03 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.34 1jdt s GLY 91 CO -0.05 0.60 1.27 0.00 0.00 0.00 0.00 173.10 174.92 1jdt s ALA 92 N 1.64 3.48 -1.91 3.20 0.00 0.67 -0.29 121.76 128.55 1jdt s ALA 92 Ca 0.07 1.19 0.20 0.00 0.00 0.00 0.00 51.96 53.43 1jdt s ALA 92 Cb -0.16 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1jdt s ALA 92 CO 0.09 -0.55 1.02 1.28 0.00 0.00 0.00 175.76 177.60 1jdt n LEU 93 N 0.87 1.97 -4.37 0.00 4.77 0.57 -0.67 117.00 120.14 1jdt n LEU 93 Ca -0.00 -0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 54.91 1jdt n LEU 93 Cb 0.42 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1jdt n LEU 93 CO 0.58 0.37 -0.56 0.68 -1.33 0.00 0.00 177.39 177.12 1jdt s VAL 94 N -2.24 2.17 0.31 4.08 -7.23 -1.25 -4.50 120.40 111.74 1jdt s VAL 94 Ca 0.17 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1jdt s VAL 94 Cb 0.16 -1.91 0.18 0.00 0.56 0.00 0.00 36.38 35.38 1jdt s VAL 94 CO 0.49 0.14 1.88 -0.65 -0.31 0.00 0.00 175.10 176.65 1jdt h PRO 95 N 4.12 0.78 0.00 4.82 0.11 -1.92 -3.29 132.00 136.62 1jdt h PRO 95 Ca -0.49 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.48 1jdt h PRO 95 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jdt h PRO 95 CO 0.40 0.67 0.00 2.48 -0.21 0.00 0.00 178.00 181.34 1jdt n TYR 96 N -4.31 0.01 -3.30 0.65 0.18 -1.26 -4.73 117.16 104.39 1jdt n TYR 96 Ca 0.04 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.44 1jdt n TYR 96 Cb 0.19 -0.50 -0.06 0.00 -0.38 0.00 0.00 39.34 38.58 1jdt n TYR 96 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1jdt s ILE 97 N -3.00 5.18 0.18 -3.48 1.01 -1.24 -5.06 121.20 114.79 1jdt s ILE 97 Ca 0.11 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.77 1jdt s ILE 97 Cb 0.15 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1jdt s ILE 97 CO 0.42 0.32 0.27 0.20 0.00 0.00 0.00 174.94 176.14 1jdt s ASN 98 N 0.64 6.12 0.37 3.58 0.01 -1.26 -4.97 114.94 119.43 1jdt s ASN 98 Ca 0.26 0.06 -0.27 0.00 -0.71 0.00 0.00 52.86 52.21 1jdt s ASN 98 Cb -0.15 -1.78 -0.11 0.00 0.41 0.00 0.00 41.25 39.62 1jdt s ASN 98 CO 0.11 0.02 1.26 0.18 -1.51 0.00 0.00 177.10 177.16 1jdt n LEU 99 N -0.75 3.62 0.00 0.60 4.77 -1.26 -1.95 117.00 122.02 1jdt n LEU 99 Ca -0.08 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1jdt n LEU 99 Cb 0.55 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1jdt n LEU 99 CO 0.46 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 1jdt n GLY 100 N 0.82 2.37 3.93 -0.72 0.00 0.09 -4.98 105.19 106.70 1jdt n GLY 100 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1jdt n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jdt s GLU 101 N -0.42 2.18 0.17 1.61 2.02 -0.82 -4.72 118.70 118.71 1jdt s GLU 101 Ca 0.00 -0.19 0.08 0.00 0.02 0.00 0.00 54.97 54.88 1jdt s GLU 101 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 1jdt s GLU 101 CO 0.00 -1.28 -0.08 0.71 0.02 0.00 0.00 175.26 174.63 1jdt s TYR 102 N -3.29 2.69 -0.10 1.61 1.51 -0.75 -1.09 117.35 117.92 1jdt s TYR 102 Ca 0.60 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 56.48 1jdt s TYR 102 Cb -0.11 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1jdt s TYR 102 CO 0.45 0.50 -0.13 0.42 -1.11 0.00 0.00 175.55 175.69 1jdt s ILE 103 N -1.64 1.33 -0.27 2.71 1.01 0.17 -0.47 121.20 124.04 1jdt s ILE 103 Ca 0.25 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1jdt s ILE 103 Cb -0.09 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1jdt s ILE 103 CO 0.16 0.41 0.21 -0.63 0.00 0.00 0.00 174.94 175.09 1jdt s ILE 104 N 1.13 5.30 0.06 2.92 1.01 0.47 -0.13 121.20 131.94 1jdt s ILE 104 Ca -0.05 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1jdt s ILE 104 Cb -0.14 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1jdt s ILE 104 CO -0.03 0.25 1.00 -0.69 0.00 0.00 0.00 174.94 175.46 1jdt s VAL 105 N 1.73 4.61 -0.65 2.92 1.01 -0.80 -2.49 120.40 126.72 1jdt s VAL 105 Ca 0.08 2.00 0.12 0.00 0.00 0.00 0.00 61.98 64.18 1jdt s VAL 105 Cb -0.16 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.82 1jdt s VAL 105 CO 0.10 0.22 0.55 0.35 0.00 0.00 0.00 175.10 176.33 1jdt n THR 106 N 3.38 0.00 0.00 3.92 -2.24 -0.10 -4.67 114.28 114.57 1jdt n THR 106 Ca 0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1jdt n THR 106 Cb 0.50 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1jdt n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdt n GLY 107 N 1.27 0.78 2.85 3.38 0.00 -1.26 -4.42 105.19 107.78 1jdt n GLY 107 Ca 0.03 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 1jdt n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdt s ALA 108 N -2.00 0.80 0.54 4.61 0.00 -0.50 -1.01 121.76 124.20 1jdt s ALA 108 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 1jdt s ALA 108 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1jdt s ALA 108 CO 0.00 -0.23 0.87 -1.12 0.00 0.00 0.00 175.76 175.27 1jdt s SER 109 N 1.41 6.01 -0.01 0.00 0.01 0.86 -4.59 113.70 117.39 1jdt s SER 109 Ca -0.03 0.93 -0.29 0.00 1.31 0.00 0.00 55.95 57.88 1jdt s SER 109 Cb -0.13 -2.09 0.10 0.00 0.21 0.00 0.00 66.02 64.11 1jdt s SER 109 CO -0.03 -0.80 0.87 -0.72 0.41 0.00 0.00 173.24 172.97 1jdt s TYR 110 N -2.90 -0.38 0.05 2.43 1.13 -1.26 -1.28 117.35 115.13 1jdt s TYR 110 Ca 0.51 0.32 -0.21 0.00 -1.41 0.00 0.00 57.07 56.28 1jdt s TYR 110 Cb -0.10 0.52 -0.06 0.00 -1.10 0.00 0.00 41.96 41.22 1jdt s TYR 110 CO 0.46 -0.55 0.62 -0.80 -2.51 0.00 0.00 175.55 172.78 1jdt s ASN 111 N -2.26 7.08 0.95 -0.18 0.01 -1.26 -5.05 114.94 114.24 1jdt s ASN 111 Ca 0.03 1.28 -0.11 0.00 -0.71 0.00 0.00 52.86 53.36 1jdt s ASN 111 Cb -0.01 -2.39 0.15 0.00 0.41 0.00 0.00 41.25 39.42 1jdt s ASN 111 CO -0.07 0.18 1.05 0.00 -1.51 0.00 0.00 177.10 176.75 1jdt n GLN 112 N 2.20 -0.68 -0.41 -0.60 1.13 -1.26 -4.94 117.38 112.83 1jdt n GLN 112 Ca -0.08 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 1jdt n GLN 112 Cb 0.51 -2.30 0.00 0.00 0.11 0.00 0.00 30.24 28.56 1jdt n GLN 112 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jdt n GLY 113 N 0.48 0.71 0.00 1.08 0.00 -1.26 -5.05 105.19 101.15 1jdt n GLY 113 Ca 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1jdt n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdt n GLY 114 N -0.63 0.00 0.30 -0.02 0.00 -1.26 -1.11 105.19 102.46 1jdt n GLY 114 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1jdt n GLY 114 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jdt h LEU 115 N 0.00 -0.87 -0.58 0.99 6.46 -1.98 0.49 115.31 119.83 1jdt h LEU 115 Ca 0.00 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1jdt h LEU 115 Cb 0.00 0.48 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1jdt h LEU 115 CO 0.00 -0.26 0.33 -0.26 -0.62 0.00 0.00 178.44 177.63 1jdt h PHE 116 N -0.09 0.77 -0.67 1.25 -1.00 -1.76 -2.11 116.94 113.34 1jdt h PHE 116 Ca 0.27 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 1jdt h PHE 116 Cb 0.52 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 1jdt h PHE 116 CO -0.58 0.55 0.36 -0.92 -1.61 0.00 0.00 178.31 176.11 1jdt h TYR 117 N 0.78 0.93 -0.43 -0.55 3.20 0.03 0.17 116.97 121.10 1jdt h TYR 117 Ca 0.20 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1jdt h TYR 117 Cb 0.02 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1jdt h TYR 117 CO -0.02 0.67 -0.02 1.96 -1.64 0.00 0.00 178.16 179.11 1jdt h GLN 118 N 0.93 0.71 0.00 1.82 4.20 -0.61 0.18 115.11 122.34 1jdt h GLN 118 Ca 0.24 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1jdt h GLN 118 Cb 0.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1jdt h GLN 118 CO -0.04 0.74 -0.30 1.88 -0.67 0.00 0.00 178.83 180.44 1jdt h TYR 119 N 0.66 0.00 0.00 2.96 0.05 -1.13 -3.37 116.97 116.14 1jdt h TYR 119 Ca 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1jdt h TYR 119 Cb 0.44 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 1jdt h TYR 119 CO 0.02 0.83 -0.16 -0.07 -1.05 0.00 0.00 178.16 177.73 1jdt h LEU 120 N -1.00 0.00 0.00 3.88 3.38 -0.75 -3.47 115.31 117.35 1jdt h LEU 120 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jdt h LEU 120 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1jdt h LEU 120 CO -0.04 0.16 0.00 0.54 0.09 0.00 0.00 178.44 179.19 1jdt n ARG 121 N -3.23 -0.46 -3.44 1.13 1.74 0.64 -4.95 116.66 108.10 1jdt n ARG 121 Ca 0.01 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 1jdt n ARG 121 Cb 0.47 -3.49 0.02 0.00 -1.02 0.00 0.00 32.46 28.44 1jdt n ARG 121 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1jdt n ASP 122 N -0.23 -1.90 -1.65 0.55 3.85 -1.25 -5.02 116.55 110.90 1jdt n ASP 122 Ca 0.00 -2.26 0.07 0.00 -0.71 0.00 0.00 54.79 51.89 1jdt n ASP 122 Cb 0.12 3.15 0.35 0.00 -1.35 0.00 0.00 41.12 43.38 1jdt n ASP 122 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1jdt n ASN 123 N -1.41 4.92 -4.66 -1.12 5.03 -1.26 -4.42 115.26 112.34 1jdt n ASN 123 Ca -0.06 -2.66 -0.40 0.00 0.87 0.00 0.00 54.58 52.32 1jdt n ASN 123 Cb 0.51 -0.62 0.03 0.00 -1.02 0.00 0.00 39.78 38.68 1jdt n ASN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jdt n ALA 124 N 0.75 0.76 -2.99 5.41 0.00 -1.26 -4.90 120.51 118.27 1jdt n ALA 124 Ca 0.24 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 53.41 1jdt n ALA 124 Cb 0.99 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1jdt n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdt s VAL 126 N 2.10 3.69 -0.13 0.00 1.01 -1.26 -4.94 120.40 120.87 1jdt s VAL 126 Ca 0.32 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 1jdt s VAL 126 Cb -0.05 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1jdt s VAL 126 CO -0.08 0.30 2.08 0.00 0.00 0.00 0.00 175.10 177.40 1jdt s ALA 127 N -0.56 3.08 -1.01 5.51 0.00 -1.26 -4.89 121.76 122.63 1jdt s ALA 127 Ca 0.48 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1jdt s ALA 127 Cb -0.31 -3.97 0.23 0.00 0.00 0.00 0.00 23.12 19.07 1jdt s ALA 127 CO 0.37 -2.28 1.03 0.45 0.00 0.00 0.00 175.76 175.33 1jdt s SER 128 N 6.54 7.03 0.19 0.00 0.15 -1.26 -4.80 113.70 121.54 1jdt s SER 128 Ca 0.94 -3.04 0.08 0.00 0.70 0.00 0.00 55.95 54.63 1jdt s SER 128 Cb -0.36 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1jdt s SER 128 CO 0.37 -0.53 -0.17 0.42 1.20 0.00 0.00 173.24 174.54 1jdt s THR 129 N 0.00 1.84 0.76 6.45 -4.23 -1.26 -1.41 115.64 117.79 1jdt s THR 129 Ca 0.28 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1jdt s THR 129 Cb -0.09 -1.96 0.10 0.00 1.34 0.00 0.00 72.50 71.90 1jdt s THR 129 CO -0.08 -0.43 1.07 -2.16 -0.54 0.00 0.00 174.62 172.49 1jdt s PRO 130 N -3.19 1.76 0.07 3.99 0.04 -1.26 -4.73 135.00 131.68 1jdt s PRO 130 Ca 0.20 -0.48 -0.31 0.00 0.04 0.00 0.00 61.00 60.45 1jdt s PRO 130 Cb -0.04 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1jdt s PRO 130 CO 0.07 -1.53 1.55 0.34 0.04 0.00 0.00 177.00 177.48 1jdt s ASP 131 N -4.64 6.69 0.10 6.66 2.15 0.81 -4.93 116.67 123.50 1jdt s ASP 131 Ca 0.64 2.39 -0.30 0.00 0.43 0.00 0.00 52.55 55.71 1jdt s ASP 131 Cb -0.08 -2.57 -0.12 0.00 -0.30 0.00 0.00 42.92 39.85 1jdt s ASP 131 CO 0.46 -0.82 1.62 0.15 -0.17 0.00 0.00 175.17 176.42 1jdt h PHE 132 N 7.90 -0.85 0.14 -5.34 3.04 -1.94 -1.53 116.94 118.35 1jdt h PHE 132 Ca -0.41 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.56 1jdt h PHE 132 Cb 1.20 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 40.01 1jdt h PHE 132 CO 0.75 -0.45 -0.25 0.93 -2.02 0.00 0.00 178.31 177.26 1jdt h GLU 133 N -0.65 -0.46 -0.98 1.11 5.08 -1.98 -1.82 114.58 114.88 1jdt h GLU 133 Ca -0.01 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1jdt h GLU 133 Cb 0.60 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1jdt h GLU 133 CO -0.08 -0.30 0.63 1.25 -1.00 0.00 0.00 179.01 179.51 1jdt h LEU 134 N -0.47 0.99 -0.50 1.33 5.85 -1.91 -1.25 115.31 119.34 1jdt h LEU 134 Ca 0.02 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1jdt h LEU 134 Cb 0.49 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1jdt h LEU 134 CO -0.13 0.61 -0.12 0.74 -0.34 0.00 0.00 178.44 179.19 1jdt h THR 135 N 1.11 1.27 -0.04 1.05 2.02 -0.98 -1.74 112.91 115.60 1jdt h THR 135 Ca 0.44 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 1jdt h THR 135 Cb 0.25 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1jdt h THR 135 CO -0.19 0.44 -0.26 0.78 0.37 0.00 0.00 175.52 176.66 1jdt h ASN 136 N 0.84 0.06 -0.12 4.18 2.35 -0.71 -1.88 115.58 120.29 1jdt h ASN 136 Ca 0.13 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1jdt h ASN 136 Cb 0.69 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1jdt h ASN 136 CO 0.05 0.33 0.06 0.50 -1.65 0.00 0.00 177.43 176.72 1jdt h LYS 137 N 0.06 0.18 -0.19 0.81 1.63 -0.77 -1.63 116.57 116.65 1jdt h LYS 137 Ca 0.01 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1jdt h LYS 137 Cb 0.50 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1jdt h LYS 137 CO 0.04 0.23 0.01 -0.07 -3.45 0.00 0.00 179.45 176.21 1jdt h LEU 138 N 0.08 -0.06 -0.86 5.20 3.38 -0.84 -0.32 115.31 121.89 1jdt h LEU 138 Ca 0.04 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1jdt h LEU 138 Cb 0.11 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1jdt h LEU 138 CO -0.01 -0.00 0.48 0.58 0.09 0.00 0.00 178.44 179.58 1jdt h VAL 139 N 0.07 0.84 -0.38 1.22 2.07 -1.16 -0.32 116.25 118.58 1jdt h VAL 139 Ca 0.09 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1jdt h VAL 139 Cb 0.11 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1jdt h VAL 139 CO -0.15 0.14 0.02 0.74 0.02 0.00 0.00 177.57 178.34 1jdt h THR 140 N 0.75 1.25 -0.87 2.57 2.02 -0.61 -2.21 112.91 115.81 1jdt h THR 140 Ca 0.44 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1jdt h THR 140 Cb 0.50 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1jdt h THR 140 CO -0.29 0.32 0.45 0.28 0.37 0.00 0.00 175.52 176.64 1jdt h SER 141 N 0.48 1.12 0.33 4.18 0.02 -0.02 -1.00 113.55 118.66 1jdt h SER 141 Ca 0.11 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1jdt h SER 141 Cb 0.44 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1jdt h SER 141 CO 0.02 0.92 -0.52 -0.26 -1.14 0.00 0.00 176.83 175.85 1jdt h PHE 142 N 1.23 0.26 -0.17 3.45 -1.00 -1.01 -2.61 116.94 117.09 1jdt h PHE 142 Ca 0.30 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.91 1jdt h PHE 142 Cb 0.08 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 1jdt h PHE 142 CO 0.01 0.68 -0.25 0.77 -1.61 0.00 0.00 178.31 177.92 1jdt h SER 143 N 0.17 0.52 0.11 2.17 0.02 -1.06 -1.63 113.55 113.83 1jdt h SER 143 Ca 0.00 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1jdt h SER 143 Cb 0.97 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1jdt h SER 143 CO 0.08 0.94 -0.01 0.50 -1.14 0.00 0.00 176.83 177.20 1jdt h LYS 144 N 0.12 0.00 -0.61 3.45 3.64 -1.10 0.04 116.57 122.11 1jdt h LYS 144 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1jdt h LYS 144 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1jdt h LYS 144 CO 0.06 0.01 0.00 0.54 -2.27 0.00 0.00 179.45 177.79 1jdt n ARG 145 N -3.26 2.76 -3.97 1.90 1.74 -0.99 -4.98 116.66 109.86 1jdt n ARG 145 Ca -0.03 -2.48 -0.31 0.00 -0.77 0.00 0.00 57.85 54.27 1jdt n ARG 145 Cb 0.10 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1jdt n ARG 145 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jdt n ASN 146 N 1.32 -3.87 -4.87 0.55 3.02 0.00 -4.97 115.26 106.45 1jdt n ASN 146 Ca 0.21 -0.85 -0.37 0.00 -0.03 0.00 0.00 54.58 53.54 1jdt n ASN 146 Cb 0.57 -3.58 -0.06 0.00 -0.61 0.00 0.00 39.78 36.10 1jdt n ASN 146 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jdt s LEU 147 N -7.21 4.40 -0.34 3.41 1.43 -0.65 -5.05 118.68 114.67 1jdt s LEU 147 Ca 0.59 0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 1jdt s LEU 147 Cb -0.30 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1jdt s LEU 147 CO 0.86 0.35 1.18 -0.54 0.23 0.00 0.00 176.35 178.42 1jdt s LYS 148 N -1.25 3.94 0.11 1.70 -0.14 -1.26 -4.70 119.74 118.13 1jdt s LYS 148 Ca 0.21 1.05 0.02 0.00 -1.36 0.00 0.00 55.97 55.89 1jdt s LYS 148 Cb -0.13 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 1jdt s LYS 148 CO 0.10 -1.08 -0.07 1.52 -0.76 0.00 0.00 175.35 175.05 1jdt s TYR 149 N 4.11 0.98 0.13 3.18 -0.85 -1.26 -1.80 117.35 121.84 1jdt s TYR 149 Ca 0.50 -0.87 0.07 0.00 -0.52 0.00 0.00 57.07 56.25 1jdt s TYR 149 Cb -0.13 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.63 1jdt s TYR 149 CO 0.21 -0.09 -0.16 0.71 -1.52 0.00 0.00 175.55 174.70 1jdt s TYR 150 N -3.53 1.58 -0.14 -3.49 1.51 0.38 -4.96 117.35 108.70 1jdt s TYR 150 Ca 0.13 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1jdt s TYR 150 Cb 0.04 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1jdt s TYR 150 CO -0.03 0.21 -0.20 0.08 -1.11 0.00 0.00 175.55 174.50 1jdt s VAL 151 N -1.90 1.88 0.03 0.71 1.01 -1.26 -0.40 120.40 120.47 1jdt s VAL 151 Ca 0.10 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1jdt s VAL 151 Cb -0.06 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1jdt s VAL 151 CO 0.04 0.51 0.86 0.61 0.00 0.00 0.00 175.10 177.13 1jdt n GLY 152 N 4.20 0.47 3.90 4.51 0.00 -1.04 -4.97 105.19 112.26 1jdt n GLY 152 Ca -0.20 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 1jdt n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdt s ASN 153 N -2.94 6.38 0.18 1.61 0.02 -1.26 -0.93 114.94 118.00 1jdt s ASN 153 Ca 0.20 0.97 0.04 0.00 -1.02 0.00 0.00 52.86 53.06 1jdt s ASN 153 Cb -0.01 -2.26 -0.05 0.00 0.02 0.00 0.00 41.25 38.95 1jdt s ASN 153 CO 0.01 -0.47 -0.07 0.68 0.02 0.00 0.00 177.10 177.27 1jdt s VAL 154 N -2.53 1.15 -0.22 1.60 -7.23 -0.18 -1.24 120.40 111.74 1jdt s VAL 154 Ca 0.48 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1jdt s VAL 154 Cb -0.10 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1jdt s VAL 154 CO 0.38 -0.58 0.04 0.12 -0.31 0.00 0.00 175.10 174.75 1jdt s PHE 155 N -3.34 3.08 -0.64 2.82 5.36 -0.44 -0.10 117.98 124.72 1jdt s PHE 155 Ca 0.21 -0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 55.57 1jdt s PHE 155 Cb 0.04 -2.15 0.08 0.00 -0.34 0.00 0.00 43.02 40.65 1jdt s PHE 155 CO 0.04 -0.26 0.86 -1.12 -1.46 0.00 0.00 175.22 173.28 1jdt s SER 156 N 1.22 6.18 0.36 6.13 0.01 -0.41 -1.95 113.70 125.24 1jdt s SER 156 Ca 0.04 -1.19 -0.15 0.00 1.31 0.00 0.00 55.95 55.96 1jdt s SER 156 Cb -0.14 -2.37 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 1jdt s SER 156 CO 0.02 -1.31 0.79 -0.55 0.41 0.00 0.00 173.24 172.60 1jdt s SER 157 N 3.66 6.75 0.00 2.44 0.15 0.26 -4.56 113.70 122.41 1jdt s SER 157 Ca 0.18 1.34 0.16 0.00 0.70 0.00 0.00 55.95 58.32 1jdt s SER 157 Cb -0.20 -2.40 -0.16 0.00 -1.71 0.00 0.00 66.02 61.56 1jdt s SER 157 CO 0.08 -0.28 0.68 0.47 1.20 0.00 0.00 173.24 175.39 1jdt n ASP 158 N -0.62 0.81 -3.67 5.45 8.00 -1.26 -4.38 116.55 120.88 1jdt n ASP 158 Ca 0.04 -0.91 -0.29 0.00 0.71 0.00 0.00 54.79 54.34 1jdt n ASP 158 Cb 0.53 0.96 -0.13 0.00 -0.02 0.00 0.00 41.12 42.46 1jdt n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdt s ALA 159 N -2.43 1.83 0.26 2.24 0.00 -1.26 -4.99 121.76 117.40 1jdt s ALA 159 Ca 0.07 -2.32 -0.02 0.00 0.00 0.00 0.00 51.96 49.69 1jdt s ALA 159 Cb 0.12 -1.80 0.53 0.00 0.00 0.00 0.00 23.12 21.97 1jdt s ALA 159 CO 0.62 -2.01 1.70 0.35 0.00 0.00 0.00 175.76 176.42 1jdt h PHE 160 N 7.00 0.44 -0.41 0.00 3.57 -1.99 -1.78 116.94 123.77 1jdt h PHE 160 Ca -0.02 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 1jdt h PHE 160 Cb 0.95 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.52 1jdt h PHE 160 CO 0.46 -0.03 0.20 0.66 -2.23 0.00 0.00 178.31 177.36 1jdt n TYR 161 N -5.08 1.33 -2.57 0.41 4.02 -1.26 -3.75 117.16 110.26 1jdt n TYR 161 Ca 0.16 -0.85 -0.17 0.00 -0.01 0.00 0.00 57.90 57.03 1jdt n TYR 161 Cb 0.50 -0.48 0.02 0.00 -0.02 0.00 0.00 39.34 39.35 1jdt n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jdt n ALA 162 N -0.07 4.15 -3.41 -0.72 0.00 -0.67 -4.93 120.51 114.85 1jdt n ALA 162 Ca 0.23 -3.65 -0.26 0.00 0.00 0.00 0.00 53.44 49.76 1jdt n ALA 162 Cb 0.94 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 1jdt n ALA 162 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jdt n GLU 163 N -0.28 1.81 0.00 0.00 1.02 -1.25 -4.96 120.64 116.99 1jdt n GLU 163 Ca 0.23 -4.17 0.00 0.00 -0.02 0.00 0.00 57.16 53.20 1jdt n GLU 163 Cb 0.75 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1jdt n GLU 163 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jdt n ASP 164 N 1.26 -0.04 0.07 1.62 5.68 -1.26 -4.89 116.55 118.98 1jdt n ASP 164 Ca 0.26 -0.26 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1jdt n ASP 164 Cb 0.44 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 1jdt n ASP 164 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jdt h GLU 165 N 0.00 -0.18 -0.96 0.11 3.07 -1.99 -3.01 114.58 111.63 1jdt h GLU 165 Ca 0.00 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.05 1jdt h GLU 165 Cb 0.00 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 27.87 1jdt h GLU 165 CO 0.00 0.18 0.61 0.93 -1.40 0.00 0.00 179.01 179.33 1jdt h GLU 166 N -0.58 0.64 -0.07 2.33 5.08 -2.01 -2.41 114.58 117.57 1jdt h GLU 166 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1jdt h GLU 166 Cb 0.45 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1jdt h GLU 166 CO 0.03 0.43 -0.47 0.35 -1.00 0.00 0.00 179.01 178.35 1jdt h PHE 167 N 0.66 -1.36 -0.44 4.33 3.57 -1.88 -1.31 116.94 120.51 1jdt h PHE 167 Ca 0.51 0.05 0.06 0.00 3.53 0.00 0.00 57.97 62.12 1jdt h PHE 167 Cb 0.92 0.60 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 1jdt h PHE 167 CO -0.00 -0.52 0.13 0.28 -2.23 0.00 0.00 178.31 175.97 1jdt h VAL 168 N -0.57 0.83 -0.45 1.41 2.07 -1.39 -1.74 116.25 116.41 1jdt h VAL 168 Ca 0.05 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1jdt h VAL 168 Cb 0.67 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1jdt h VAL 168 CO -0.38 0.05 0.15 0.11 0.02 0.00 0.00 177.57 177.53 1jdt h LYS 169 N 0.29 0.70 0.41 1.57 1.57 -1.51 -1.64 116.57 117.96 1jdt h LYS 169 Ca 0.21 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1jdt h LYS 169 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jdt h LYS 169 CO -0.23 0.66 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.80 1jdt h LYS 170 N 0.59 -0.67 -0.25 3.15 3.64 -0.87 -1.55 116.57 120.61 1jdt h LYS 170 Ca 0.15 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1jdt h LYS 170 Cb 0.25 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1jdt h LYS 170 CO -0.01 -0.44 -0.39 -1.49 -2.27 0.00 0.00 179.45 174.85 1jdt h TRP 171 N -0.69 0.68 -0.07 1.91 4.06 -1.34 -2.81 115.95 117.70 1jdt h TRP 171 Ca -0.04 -0.19 -0.11 0.00 2.06 0.00 0.00 58.89 60.61 1jdt h TRP 171 Cb 0.59 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1jdt h TRP 171 CO -0.12 0.88 -0.46 0.66 -3.56 0.00 0.00 178.44 175.84 1jdt h SER 172 N 0.48 0.17 0.82 -3.49 4.64 -1.29 -1.95 113.55 112.94 1jdt h SER 172 Ca 0.04 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1jdt h SER 172 Cb 0.89 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1jdt h SER 172 CO 0.08 0.61 0.00 -1.54 -0.87 0.00 0.00 176.83 175.11 1jdt n SER 173 N -3.99 0.24 -1.45 4.97 3.41 -0.59 -2.16 113.62 114.05 1jdt n SER 173 Ca -0.02 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1jdt n SER 173 Cb 0.50 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 64.18 1jdt n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdt n ARG 174 N -1.75 3.41 -0.72 4.33 1.74 -0.75 -4.93 116.66 117.98 1jdt n ARG 174 Ca 0.05 -2.56 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 1jdt n ARG 174 Cb 0.27 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1jdt n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdt n GLY 175 N 1.09 0.62 3.84 -0.13 0.00 -0.92 -5.06 105.19 104.63 1jdt n GLY 175 Ca 0.23 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1jdt n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdt s ASN 176 N -2.17 6.25 0.00 1.61 0.01 -1.08 -4.19 114.94 115.38 1jdt s ASN 176 Ca 0.00 0.41 0.18 0.00 -0.71 0.00 0.00 52.86 52.74 1jdt s ASN 176 Cb 0.00 -2.02 0.09 0.00 0.41 0.00 0.00 41.25 39.73 1jdt s ASN 176 CO 0.00 0.38 1.01 2.30 -1.51 0.00 0.00 177.10 179.28 1jdt n ILE 177 N 2.19 0.00 -3.76 0.60 -5.35 -0.38 -4.11 119.36 108.56 1jdt n ILE 177 Ca -0.19 -0.43 -0.08 0.00 -0.27 0.00 0.00 62.75 61.78 1jdt n ILE 177 Cb 0.54 1.31 -0.02 0.00 -1.74 0.00 0.00 39.64 39.74 1jdt n ILE 177 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jdt s ALA 178 N -1.71 -1.33 -0.03 -1.28 0.00 -1.25 -0.31 121.76 115.85 1jdt s ALA 178 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1jdt s ALA 178 Cb 0.15 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.12 1jdt s ALA 178 CO 0.31 -0.98 -0.10 0.54 0.00 0.00 0.00 175.76 175.53 1jdt s VAL 179 N -3.85 0.85 0.00 0.00 0.11 0.61 -1.33 120.40 116.79 1jdt s VAL 179 Ca 0.09 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1jdt s VAL 179 Cb -0.05 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1jdt s VAL 179 CO 0.02 0.27 0.00 -1.84 -3.33 0.00 0.00 175.10 170.22 1jdt n GLU 180 N 3.40 0.00 0.00 1.54 -0.00 -0.82 -1.29 120.64 123.47 1jdt n GLU 180 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 1jdt n GLU 180 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.98 1jdt n GLU 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1jdt n MET 181 N 0.00 2.73 0.00 3.44 2.81 -1.26 -0.57 117.12 124.27 1jdt n MET 181 Ca 0.00 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1jdt n MET 181 Cb 0.00 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 1jdt n MET 181 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1jdt n GLU 182 N -0.41 -0.10 -0.22 0.03 0.00 -1.26 -3.77 120.64 114.90 1jdt n GLU 182 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 57.16 56.81 1jdt n GLU 182 Cb 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 31.44 30.74 1jdt n GLU 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jdt h ALA 184 N 1.18 1.36 -0.29 0.00 0.00 -1.87 0.10 119.26 119.74 1jdt h ALA 184 Ca 0.22 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1jdt h ALA 184 Cb -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1jdt h ALA 184 CO -0.04 0.56 -0.15 1.15 0.00 0.00 0.00 179.25 180.77 1jdt h THR 185 N 1.25 1.30 0.21 0.00 2.02 -1.82 -1.43 112.91 114.44 1jdt h THR 185 Ca 0.38 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1jdt h THR 185 Cb -0.03 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1jdt h THR 185 CO -0.11 0.40 -0.11 0.25 0.37 0.00 0.00 175.52 176.32 1jdt h LEU 186 N 0.37 -0.26 0.40 2.58 5.85 -0.77 -1.36 115.31 122.11 1jdt h LEU 186 Ca 0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1jdt h LEU 186 Cb 0.68 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1jdt h LEU 186 CO 0.05 -0.18 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.51 1jdt h PHE 187 N -0.30 -0.50 -0.24 1.25 0.05 -0.81 -1.12 116.94 115.27 1jdt h PHE 187 Ca -0.03 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.77 1jdt h PHE 187 Cb 0.23 0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 1jdt h PHE 187 CO -0.07 -0.23 0.11 1.15 -0.18 0.00 0.00 178.31 179.09 1jdt h THR 188 N -0.67 0.98 -0.70 -1.55 2.02 -1.30 -0.93 112.91 110.76 1jdt h THR 188 Ca -0.05 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1jdt h THR 188 Cb 0.49 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1jdt h THR 188 CO 0.09 0.04 0.33 0.25 0.37 0.00 0.00 175.52 176.60 1jdt h LEU 189 N 0.25 0.91 -1.23 2.58 5.85 -1.28 -1.83 115.31 120.56 1jdt h LEU 189 Ca 0.10 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1jdt h LEU 189 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jdt h LEU 189 CO -0.07 0.78 -0.03 0.28 -0.34 0.00 0.00 178.44 179.06 1jdt h SER 190 N 1.00 0.46 -0.39 1.25 0.02 -0.60 0.72 113.55 116.00 1jdt h SER 190 Ca 0.24 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1jdt h SER 190 Cb 0.12 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1jdt h SER 190 CO -0.03 0.55 -0.22 0.11 -1.14 0.00 0.00 176.83 176.10 1jdt h LYS 191 N 0.47 0.84 -0.27 3.45 6.56 -0.53 0.18 116.57 127.27 1jdt h LYS 191 Ca 0.10 -0.38 -0.12 0.00 -1.06 0.00 0.00 60.65 59.18 1jdt h LYS 191 Cb 0.35 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1jdt h LYS 191 CO 0.01 1.02 -0.31 0.28 -2.06 0.00 0.00 179.45 178.39 1jdt h VAL 192 N 0.65 1.31 0.00 0.50 2.07 -0.88 -3.25 116.25 116.65 1jdt h VAL 192 Ca 0.08 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1jdt h VAL 192 Cb 0.78 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1jdt h VAL 192 CO 0.06 0.47 -0.32 0.29 0.02 0.00 0.00 177.57 178.10 1jdt n LYS 193 N -4.25 0.11 -0.96 1.57 4.76 0.20 -4.96 118.16 114.64 1jdt n LYS 193 Ca -0.04 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1jdt n LYS 193 Cb 0.49 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1jdt n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jdt n GLY 194 N 1.43 0.58 3.92 0.72 0.00 0.27 -5.05 105.19 107.06 1jdt n GLY 194 Ca 0.05 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1jdt n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jdt s TRP 195 N -2.00 3.52 -0.33 1.61 0.51 0.36 -5.01 118.94 117.60 1jdt s TRP 195 Ca 0.00 0.66 -0.10 0.00 -2.12 0.00 0.00 56.10 54.54 1jdt s TRP 195 Cb 0.00 -2.21 0.01 0.00 -0.81 0.00 0.00 33.47 30.46 1jdt s TRP 195 CO 0.00 -0.19 0.16 0.15 -0.51 0.00 0.00 176.95 176.56 1jdt s LYS 196 N -4.63 3.13 0.21 4.98 1.02 -0.34 -4.54 119.74 119.57 1jdt s LYS 196 Ca 0.46 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.66 1jdt s LYS 196 Cb -0.10 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1jdt s LYS 196 CO 0.42 -0.52 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.08 1jdt s SER 197 N 1.58 2.60 0.27 2.83 0.01 -1.26 -1.08 113.70 118.66 1jdt s SER 197 Ca 0.03 -1.03 -0.17 0.00 1.31 0.00 0.00 55.95 56.09 1jdt s SER 197 Cb -0.18 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.92 1jdt s SER 197 CO 0.06 -0.18 0.63 0.00 0.41 0.00 0.00 173.24 174.16 1jdt s ALA 198 N -2.97 -0.81 -0.18 1.44 0.00 -0.75 -0.13 121.76 118.36 1jdt s ALA 198 Ca 0.23 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 1jdt s ALA 198 Cb -0.01 0.93 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1jdt s ALA 198 CO 0.07 -0.97 0.47 0.99 0.00 0.00 0.00 175.76 176.33 1jdt s THR 199 N -3.87 -0.00 -0.03 0.00 2.01 -1.26 -0.78 115.64 111.71 1jdt s THR 199 Ca 0.16 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1jdt s THR 199 Cb -0.04 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.82 1jdt s THR 199 CO 0.08 0.00 -0.07 0.54 -0.69 0.00 0.00 174.62 174.48 1jdt s VAL 200 N 0.31 0.64 0.09 3.82 0.11 -0.29 -1.91 120.40 123.17 1jdt s VAL 200 Ca -0.00 -0.26 0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1jdt s VAL 200 Cb -0.03 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1jdt s VAL 200 CO -0.00 0.22 -0.26 -0.76 -3.33 0.00 0.00 175.10 170.97 1jdt s LEU 201 N 0.36 2.30 -0.20 2.54 1.43 0.81 -2.67 118.68 123.24 1jdt s LEU 201 Ca -0.05 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1jdt s LEU 201 Cb -0.09 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1jdt s LEU 201 CO 0.00 0.21 0.11 -0.69 0.23 0.00 0.00 176.35 176.22 1jdt s VAL 202 N -0.96 5.19 -0.22 -1.59 1.01 -0.20 -0.65 120.40 122.98 1jdt s VAL 202 Ca 0.13 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1jdt s VAL 202 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1jdt s VAL 202 CO 0.05 0.43 1.45 -0.69 0.00 0.00 0.00 175.10 176.33 1jdt s VAL 203 N 0.52 3.94 -0.22 2.92 1.01 -0.25 -1.25 120.40 127.07 1jdt s VAL 203 Ca 0.06 1.09 0.15 0.00 0.00 0.00 0.00 61.98 63.28 1jdt s VAL 203 Cb -0.12 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 1jdt s VAL 203 CO -0.00 -0.29 0.42 -1.54 0.00 0.00 0.00 175.10 173.68 1jdt n SER 204 N 7.67 1.30 -3.51 3.32 3.41 -0.66 -0.73 113.62 124.43 1jdt n SER 204 Ca 0.16 -0.25 -0.11 0.00 -0.26 0.00 0.00 58.87 58.41 1jdt n SER 204 Cb 0.45 1.48 -0.03 0.00 -0.26 0.00 0.00 64.21 65.86 1jdt n SER 204 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1jdt s ASP 205 N -3.32 -0.46 -0.28 4.04 -4.77 -1.24 -2.47 116.67 108.18 1jdt s ASP 205 Ca -0.02 -0.13 0.00 0.00 -3.30 0.00 0.00 52.55 49.10 1jdt s ASP 205 Cb 0.10 0.57 0.08 0.00 -1.09 0.00 0.00 42.92 42.59 1jdt s ASP 205 CO 0.62 -0.96 0.04 0.21 0.70 0.00 0.00 175.17 175.78 1jdt s ASN 206 N -2.78 3.96 0.53 2.11 3.84 -1.26 -0.24 114.94 121.10 1jdt s ASN 206 Ca 0.02 -1.50 0.30 0.00 0.21 0.00 0.00 52.86 51.90 1jdt s ASN 206 Cb -0.00 -1.03 1.43 0.00 -0.55 0.00 0.00 41.25 41.09 1jdt s ASN 206 CO -0.12 -0.35 2.03 -0.07 -2.79 0.00 0.00 177.10 175.80 1jdt h LEU 207 N 8.00 0.00 -0.13 3.21 4.07 -1.20 -2.89 115.31 126.37 1jdt h LEU 207 Ca -0.13 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.66 1jdt h LEU 207 Cb 1.04 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.79 1jdt h LEU 207 CO 0.45 0.10 -0.58 0.00 -1.08 0.00 0.00 178.44 177.33 1jdt h ALA 208 N 1.90 0.24 -1.39 1.53 0.00 -1.79 -3.49 119.26 116.26 1jdt h ALA 208 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1jdt h ALA 208 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jdt h ALA 208 CO 0.01 0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.37 1jdt n LYS 209 N -4.14 0.00 -3.49 0.00 5.02 -1.09 -4.92 118.16 109.54 1jdt n LYS 209 Ca -0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1jdt n LYS 209 Cb 0.64 -0.16 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 1jdt n LYS 209 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1jdt s ILE 214 N -0.54 0.00 0.55 -0.18 -4.36 -1.03 -5.03 121.20 110.62 1jdt s ILE 214 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.22 1jdt s ILE 214 Cb 0.00 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.66 1jdt s ILE 214 CO 0.00 0.00 1.05 0.42 0.24 0.00 0.00 174.94 176.65 1jdt s THR 215 N -2.66 3.82 -1.20 8.37 -4.23 -1.26 -4.92 115.64 113.56 1jdt s THR 215 Ca -0.00 0.95 0.17 0.00 -1.18 0.00 0.00 61.69 61.63 1jdt s THR 215 Cb -0.01 -3.42 0.22 0.00 1.34 0.00 0.00 72.50 70.63 1jdt s THR 215 CO -0.05 -0.42 1.53 1.17 -0.54 0.00 0.00 174.62 176.31 1jdt n LYS 216 N -1.65 0.12 -0.00 3.99 4.81 -1.26 -2.10 118.16 122.07 1jdt n LYS 216 Ca 0.09 0.17 -0.10 0.00 -0.87 0.00 0.00 58.31 57.60 1jdt n LYS 216 Cb 0.53 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.00 1jdt n LYS 216 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jdt h GLU 217 N 0.00 -0.10 -0.48 1.64 4.81 -2.00 -2.44 114.58 116.00 1jdt h GLU 217 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1jdt h GLU 217 Cb 0.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1jdt h GLU 217 CO 0.00 0.40 0.27 0.93 -0.73 0.00 0.00 179.01 179.89 1jdt h GLU 218 N -0.92 0.65 0.63 1.92 5.08 -1.91 -2.57 114.58 117.46 1jdt h GLU 218 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1jdt h GLU 218 Cb 0.55 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1jdt h GLU 218 CO 0.02 0.47 -0.30 1.25 -1.00 0.00 0.00 179.01 179.45 1jdt h LEU 219 N 0.66 -0.72 -1.39 1.33 5.85 -1.46 -2.48 115.31 117.10 1jdt h LEU 219 Ca 0.17 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1jdt h LEU 219 Cb -0.00 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1jdt h LEU 219 CO -0.03 -0.45 0.52 -0.33 -0.34 0.00 0.00 178.44 177.80 1jdt h GLU 220 N -0.94 0.64 -0.29 1.25 5.08 -1.26 0.32 114.58 119.38 1jdt h GLU 220 Ca -0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jdt h GLU 220 Cb 0.68 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1jdt h GLU 220 CO 0.14 0.43 0.17 -0.22 -1.00 0.00 0.00 179.01 178.53 1jdt h LYS 221 N 0.66 0.40 -0.42 2.33 1.63 -1.30 0.34 116.57 120.20 1jdt h LYS 221 Ca 0.37 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 60.03 1jdt h LYS 221 Cb 0.55 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1jdt h LYS 221 CO -0.14 0.31 -0.15 0.77 -3.45 0.00 0.00 179.45 176.79 1jdt h SER 222 N 0.36 0.86 0.11 4.20 0.02 -0.77 0.29 113.55 118.63 1jdt h SER 222 Ca 0.10 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1jdt h SER 222 Cb 0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1jdt h SER 222 CO -0.02 1.05 -0.18 0.58 -1.14 0.00 0.00 176.83 177.13 1jdt h VAL 223 N 0.67 0.60 -0.55 2.27 2.07 -0.08 -1.45 116.25 119.78 1jdt h VAL 223 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 1jdt h VAL 223 Cb 0.70 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1jdt h VAL 223 CO 0.05 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.84 1jdt h MET 224 N -0.35 0.99 -0.82 1.57 2.07 -0.28 -0.29 114.93 117.82 1jdt h MET 224 Ca 0.02 -0.34 0.11 0.00 -2.07 0.00 0.00 59.70 57.43 1jdt h MET 224 Cb 0.36 -0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 29.95 1jdt h MET 224 CO -0.09 1.01 0.53 -0.44 1.07 0.00 0.00 176.91 178.99 1jdt h ASP 225 N 0.87 0.63 -0.02 1.22 5.19 -0.06 -2.25 116.42 122.00 1jdt h ASP 225 Ca 0.15 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1jdt h ASP 225 Cb 0.59 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1jdt h ASP 225 CO 0.04 0.36 -0.35 0.61 -3.12 0.00 0.00 179.24 176.77 1jdt n GLY 226 N -1.45 0.13 0.35 2.75 0.00 -0.58 -4.42 105.19 101.98 1jdt n GLY 226 Ca 0.14 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1jdt n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdt h ALA 227 N 3.57 1.46 -0.48 4.61 0.00 -0.41 -1.93 119.26 126.09 1jdt h ALA 227 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1jdt h ALA 227 Cb 0.71 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jdt h ALA 227 CO 0.00 0.48 -0.07 0.87 0.00 0.00 0.00 179.25 180.54 1jdt h LYS 228 N 1.05 0.84 -0.55 0.00 6.56 -1.77 -0.73 116.57 121.96 1jdt h LYS 228 Ca 0.30 -0.26 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1jdt h LYS 228 Cb -0.07 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 1jdt h LYS 228 CO -0.07 0.88 0.22 0.00 -2.06 0.00 0.00 179.45 178.42 1jdt h ALA 229 N 1.16 0.72 -0.08 3.86 0.00 -1.64 0.22 119.26 123.50 1jdt h ALA 229 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jdt h ALA 229 Cb 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jdt h ALA 229 CO 0.03 0.33 0.02 0.28 0.00 0.00 0.00 179.25 179.91 1jdt h VAL 230 N 0.75 1.18 -0.21 0.00 2.07 -1.10 -1.73 116.25 117.21 1jdt h VAL 230 Ca 0.18 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1jdt h VAL 230 Cb 0.20 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1jdt h VAL 230 CO -0.02 0.15 -0.14 -0.07 0.02 0.00 0.00 177.57 177.51 1jdt h LEU 231 N -0.07 0.33 -0.38 2.57 3.38 -1.02 -0.11 115.31 120.02 1jdt h LEU 231 Ca 0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1jdt h LEU 231 Cb 0.22 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1jdt h LEU 231 CO -0.00 0.50 0.09 0.44 0.09 0.00 0.00 178.44 179.57 1jdt h ASP 232 N 0.32 0.57 -0.32 -0.43 3.32 -0.80 -1.73 116.42 117.35 1jdt h ASP 232 Ca 0.06 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1jdt h ASP 232 Cb 0.45 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jdt h ASP 232 CO 0.03 0.65 0.17 0.74 -1.72 0.00 0.00 179.24 179.11 1jdt h THR 233 N 0.46 1.14 -0.60 0.35 2.02 -0.79 0.35 112.91 115.84 1jdt h THR 233 Ca 0.12 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1jdt h THR 233 Cb 0.30 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1jdt h THR 233 CO 0.00 0.14 0.39 -0.07 0.37 0.00 0.00 175.52 176.35 1jdt h LEU 234 N 0.39 0.58 -1.98 2.58 3.38 -0.83 -2.69 115.31 116.73 1jdt h LEU 234 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jdt h LEU 234 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jdt h LEU 234 CO -0.02 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.26 1jdt n THR 235 N -4.47 0.23 0.21 0.22 -2.24 -0.67 -4.98 114.28 102.59 1jdt n THR 235 Ca 0.07 -0.62 0.02 0.00 -2.27 0.00 0.00 64.05 61.25 1jdt n THR 235 Cb 0.16 1.18 0.10 0.00 -2.10 0.00 0.00 70.33 69.67 1jdt n THR 235 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96