#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s LYS 2 N 0.00 3.87 -0.18 4.33 -0.14 -1.26 -4.98 119.74 121.38 1q82 s LYS 2 Ca 0.00 0.82 0.05 0.00 -1.36 0.00 0.00 55.97 55.48 1q82 s LYS 2 Cb 0.00 -2.19 -0.14 0.00 -1.68 0.00 0.00 37.83 33.82 1q82 s LYS 2 CO 0.00 -0.25 -0.10 2.41 -0.76 0.00 0.00 175.35 176.65 1q82 n THR 3 N -1.67 1.07 -1.64 2.17 -1.04 -1.26 -4.93 114.28 106.99 1q82 n THR 3 Ca 0.06 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.05 61.15 1q82 n THR 3 Cb 0.54 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 1q82 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1q82 s ASN 4 N -5.52 5.47 0.43 8.00 3.84 -1.26 -4.83 114.94 121.06 1q82 s ASN 4 Ca -0.20 1.82 0.12 0.00 0.21 0.00 0.00 52.86 54.81 1q82 s ASN 4 Cb 0.06 -2.51 0.98 0.00 -0.55 0.00 0.00 41.25 39.23 1q82 s ASN 4 CO 0.50 -1.96 2.01 -0.65 -2.79 0.00 0.00 177.10 174.21 1q82 h PRO 5 N 14.97 0.43 0.04 0.43 0.11 -1.99 -0.40 132.00 145.60 1q82 h PRO 5 Ca -0.40 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1q82 h PRO 5 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1q82 h PRO 5 CO 0.97 0.28 -0.02 0.00 -0.21 0.00 0.00 178.00 179.02 1q82 h ARG 6 N 0.44 -0.06 -0.60 1.05 3.08 -1.99 -0.84 114.38 115.46 1q82 h ARG 6 Ca 0.23 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.33 1q82 h ARG 6 Cb 0.33 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1q82 h ARG 6 CO -0.06 0.33 0.40 1.25 -1.07 0.00 0.00 179.97 180.82 1q82 h LEU 7 N -0.46 0.56 -0.09 3.04 5.85 -1.83 0.94 115.31 123.32 1q82 h LEU 7 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1q82 h LEU 7 Cb 0.42 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1q82 h LEU 7 CO 0.01 0.38 0.01 -1.28 -0.34 0.00 0.00 178.44 177.22 1q82 h SER 8 N 0.64 0.14 -0.50 1.25 0.87 -0.95 -2.05 113.55 112.95 1q82 h SER 8 Ca 0.25 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1q82 h SER 8 Cb 0.17 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1q82 h SER 8 CO -0.07 0.36 0.02 0.28 -0.53 0.00 0.00 176.83 176.89 1q82 h SER 9 N -0.09 0.85 -0.21 6.23 0.02 0.00 -2.53 113.55 117.83 1q82 h SER 9 Ca 0.03 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1q82 h SER 9 Cb 0.28 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1q82 h SER 9 CO 0.00 0.94 -0.09 0.25 -1.14 0.00 0.00 176.83 176.79 1q82 h LEU 10 N 0.74 -0.32 -1.19 5.07 5.85 -0.84 -0.57 115.31 124.06 1q82 h LEU 10 Ca 0.15 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.05 1q82 h LEU 10 Cb 0.49 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1q82 h LEU 10 CO 0.02 -0.12 0.58 0.40 -0.34 0.00 0.00 178.44 178.98 1q82 h ILE 11 N -0.07 0.95 -0.15 4.05 2.04 -1.16 0.25 117.51 123.42 1q82 h ILE 11 Ca 0.11 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 1q82 h ILE 11 Cb 0.23 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1q82 h ILE 11 CO -0.25 0.16 -0.52 0.00 0.00 0.00 0.00 178.15 177.53 1q82 h ALA 12 N 1.56 0.81 -0.19 1.87 0.00 -0.86 -2.66 119.26 119.80 1q82 h ALA 12 Ca 0.43 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1q82 h ALA 12 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1q82 h ALA 12 CO -0.19 0.68 -0.65 -0.44 0.00 0.00 0.00 179.25 178.65 1q82 h ASP 13 N 0.34 0.79 -0.59 0.00 3.32 0.25 -1.71 116.42 118.81 1q82 h ASP 13 Ca 0.01 -0.47 0.02 0.00 0.02 0.00 0.00 57.03 56.61 1q82 h ASP 13 Cb 1.03 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1q82 h ASP 13 CO 0.09 1.24 0.39 -0.07 -1.72 0.00 0.00 179.24 179.17 1q82 h LEU 14 N 0.50 0.64 0.33 1.55 3.38 -0.44 -2.01 115.31 119.27 1q82 h LEU 14 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1q82 h LEU 14 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1q82 h LEU 14 CO 0.13 0.45 -0.16 0.11 0.09 0.00 0.00 178.44 179.06 1q82 h LYS 15 N 0.75 -0.43 -1.39 1.13 1.57 -1.21 -2.23 116.57 114.77 1q82 h LYS 15 Ca 0.22 0.03 0.40 0.00 -1.87 0.00 0.00 60.65 59.44 1q82 h LYS 15 Cb -0.02 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1q82 h LYS 15 CO -0.05 -0.14 0.98 1.03 -0.57 0.00 0.00 179.45 180.69 1q82 h SER 16 N -1.01 0.08 0.36 0.86 0.87 -1.10 0.39 113.55 114.00 1q82 h SER 16 Ca -0.05 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.22 1q82 h SER 16 Cb 0.48 0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1q82 h SER 16 CO 0.07 -0.01 -1.51 0.00 -0.53 0.00 0.00 176.83 174.85 1q82 h ALA 17 N 1.35 0.05 -0.09 6.23 0.00 -1.33 -2.50 119.26 122.98 1q82 h ALA 17 Ca 0.69 -0.98 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1q82 h ALA 17 Cb 2.60 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 20.61 1q82 h ALA 17 CO -0.09 0.91 -0.26 0.00 0.00 0.00 0.00 179.25 179.82 1q82 h ALA 18 N 0.30 1.41 0.00 0.00 0.00 0.33 -1.63 119.26 119.67 1q82 h ALA 18 Ca -0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1q82 h ALA 18 Cb 2.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1q82 h ALA 18 CO 0.22 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.84 1q82 h ARG 19 N 0.14 0.00 0.00 0.00 3.08 -1.10 -3.37 114.38 113.13 1q82 h ARG 19 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1q82 h ARG 19 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1q82 h ARG 19 CO 0.04 0.25 0.00 0.43 -1.07 0.00 0.00 179.97 179.62 1q82 n SER 20 N -4.73 0.00 -4.62 7.04 7.64 -0.94 -4.72 113.62 113.29 1q82 n SER 20 Ca -0.03 0.88 -0.28 0.00 1.01 0.00 0.00 58.87 60.45 1q82 n SER 20 Cb 0.14 -0.41 0.20 0.00 -1.01 0.00 0.00 64.21 63.13 1q82 n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1q82 s SER 21 N -2.03 2.08 0.00 6.43 0.01 -0.61 -4.88 113.70 114.69 1q82 s SER 21 Ca 0.00 1.23 0.09 0.00 1.31 0.00 0.00 55.95 58.58 1q82 s SER 21 Cb 0.00 -1.93 0.52 0.00 0.21 0.00 0.00 66.02 64.82 1q82 s SER 21 CO 0.00 -3.48 1.29 0.61 0.41 0.00 0.00 173.24 172.07 1q82 n GLY 22 N -0.60 -0.94 3.51 3.44 0.00 -1.26 -4.58 105.19 104.75 1q82 n GLY 22 Ca 0.04 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1q82 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 23 N 0.57 -1.13 0.00 -0.02 0.00 -1.19 -4.92 105.19 98.50 1q82 n GLY 23 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1q82 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 24 N -1.97 0.90 -0.07 4.61 0.00 -1.26 -4.62 120.51 118.10 1q82 n ALA 24 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1q82 n ALA 24 Cb 0.48 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1q82 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1q82 h VAL 25 N 0.00 1.30 -0.73 0.00 -1.51 -1.90 -1.74 116.25 111.66 1q82 h VAL 25 Ca 0.00 -1.10 0.10 0.00 -1.23 0.00 0.00 66.70 64.47 1q82 h VAL 25 Cb 0.13 1.60 -0.07 0.00 -2.13 0.00 0.00 31.29 30.82 1q82 h VAL 25 CO 0.00 0.33 0.37 -0.50 -1.23 0.00 0.00 177.57 176.54 1q82 h TRP 26 N 0.11 0.67 -0.06 5.19 -0.00 -1.86 0.78 115.95 120.78 1q82 h TRP 26 Ca 0.05 0.03 -0.11 0.00 -0.00 0.00 0.00 58.89 58.85 1q82 h TRP 26 Cb 0.54 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 1q82 h TRP 26 CO 0.06 0.24 -0.48 0.78 -0.00 0.00 0.00 178.44 179.03 1q82 h GLY 27 N 0.63 0.17 1.01 1.49 0.00 -1.70 -0.40 103.07 104.27 1q82 h GLY 27 Ca 0.36 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 1q82 h GLY 27 CO -0.27 0.16 -0.27 -1.80 0.00 0.00 0.00 176.54 174.35 1q82 h ASP 28 N 0.12 0.83 -0.27 0.19 3.58 0.13 -2.32 116.42 118.68 1q82 h ASP 28 Ca 0.00 -0.45 -0.13 0.00 0.42 0.00 0.00 57.03 56.87 1q82 h ASP 28 Cb 0.90 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1q82 h ASP 28 CO 0.07 1.10 -0.31 0.58 -2.88 0.00 0.00 179.24 177.81 1q82 h VAL 29 N 0.56 1.28 -0.78 2.25 2.07 0.61 -3.01 116.25 119.23 1q82 h VAL 29 Ca 0.06 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1q82 h VAL 29 Cb 0.84 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1q82 h VAL 29 CO 0.07 0.48 0.50 0.00 0.02 0.00 0.00 177.57 178.64 1q82 h ALA 30 N 0.99 1.03 -0.11 1.67 0.00 -0.88 -1.34 119.26 120.63 1q82 h ALA 30 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1q82 h ALA 30 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1q82 h ALA 30 CO 0.07 0.32 -0.33 0.93 0.00 0.00 0.00 179.25 180.24 1q82 h GLU 31 N 0.98 0.21 0.02 0.00 5.08 -1.33 -1.48 114.58 118.06 1q82 h GLU 31 Ca 0.31 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1q82 h GLU 31 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1q82 h GLU 31 CO -0.11 0.53 -0.92 -0.09 -1.00 0.00 0.00 179.01 177.41 1q82 h ARG 32 N 0.19 0.14 0.00 2.33 9.65 -1.32 -2.92 114.38 122.45 1q82 h ARG 32 Ca 0.02 -0.17 -0.12 0.00 -1.10 0.00 0.00 59.98 58.61 1q82 h ARG 32 Cb 0.68 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1q82 h ARG 32 CO 0.05 0.96 -0.55 -0.07 2.80 0.00 0.00 179.97 183.16 1q82 h LEU 33 N 0.07 0.00 -1.30 3.80 3.38 -0.97 -2.42 115.31 117.88 1q82 h LEU 33 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1q82 h LEU 33 Cb 1.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 1q82 h LEU 33 CO 0.14 0.55 -0.10 -0.33 0.09 0.00 0.00 178.44 178.79 1q82 h GLU 34 N 0.00 0.00 -7.35 1.13 5.08 -1.13 -3.44 114.58 108.87 1q82 h GLU 34 Ca -0.01 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1q82 h GLU 34 Cb 1.05 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.39 1q82 h GLU 34 CO 0.07 0.10 0.37 0.15 -1.00 0.00 0.00 179.01 178.70 1q82 s LYS 35 N -3.67 2.93 0.17 2.33 1.02 -0.91 -4.95 119.74 116.65 1q82 s LYS 35 Ca 0.01 0.88 -0.32 0.00 0.02 0.00 0.00 55.97 56.56 1q82 s LYS 35 Cb 0.10 -1.99 -0.16 0.00 -0.52 0.00 0.00 37.83 35.25 1q82 s LYS 35 CO 0.59 -1.09 1.06 -2.30 -0.92 0.00 0.00 175.35 172.69 1q82 n PRO 36 N -3.11 0.92 -0.37 -1.68 -0.02 -1.26 -4.82 135.00 124.64 1q82 n PRO 36 Ca 0.07 0.33 0.29 0.00 -2.02 0.00 0.00 63.50 62.17 1q82 n PRO 36 Cb 0.54 -1.75 0.56 0.00 -0.02 0.00 0.00 33.50 32.83 1q82 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q82 h ARG 37 N 2.91 0.23 -0.03 -0.52 3.08 -1.92 0.24 114.38 118.36 1q82 h ARG 37 Ca -0.42 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.63 1q82 h ARG 37 Cb 1.36 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1q82 h ARG 37 CO 0.67 0.15 0.03 0.07 -1.07 0.00 0.00 179.97 179.83 1q82 h ARG 38 N 0.24 0.00 0.00 0.04 0.11 -2.00 -0.13 114.38 112.65 1q82 h ARG 38 Ca 0.73 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.81 1q82 h ARG 38 Cb 2.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1q82 h ARG 38 CO -0.45 0.00 -0.38 0.25 0.10 0.00 0.00 179.97 179.49 1q82 n THR 39 N -4.01 0.01 -0.64 0.08 -2.24 0.82 -4.91 114.28 103.39 1q82 n THR 39 Ca -0.02 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1q82 n THR 39 Cb 0.12 0.06 0.22 0.00 -2.10 0.00 0.00 70.33 68.64 1q82 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q82 s HIS 40 N -3.00 1.50 0.02 4.78 3.76 -0.06 -4.95 115.29 117.34 1q82 s HIS 40 Ca 0.12 1.37 -0.21 0.00 -0.15 0.00 0.00 55.06 56.19 1q82 s HIS 40 Cb 0.18 -3.18 -0.06 0.00 1.11 0.00 0.00 32.58 30.63 1q82 s HIS 40 CO 0.66 -3.46 0.61 0.00 -0.85 0.00 0.00 174.74 171.70 1q82 s ALA 41 N -2.55 3.50 -0.42 -1.40 0.00 -0.98 -4.97 121.76 114.94 1q82 s ALA 41 Ca 0.68 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1q82 s ALA 41 Cb -0.24 -2.74 0.12 0.00 0.00 0.00 0.00 23.12 20.26 1q82 s ALA 41 CO 0.62 0.22 0.19 -1.21 0.00 0.00 0.00 175.76 175.58 1q82 s GLU 42 N -0.45 1.34 -0.12 0.00 2.02 -1.25 0.52 118.70 120.76 1q82 s GLU 42 Ca 0.31 -1.93 -0.03 0.00 0.02 0.00 0.00 54.97 53.34 1q82 s GLU 42 Cb -0.19 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 1q82 s GLU 42 CO 0.18 -1.08 -0.01 0.08 0.02 0.00 0.00 175.26 174.45 1q82 s VAL 43 N 0.55 4.19 0.43 2.63 1.01 -0.29 -4.93 120.40 123.99 1q82 s VAL 43 Ca 0.15 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1q82 s VAL 43 Cb -0.23 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1q82 s VAL 43 CO -0.06 0.55 0.62 0.20 0.00 0.00 0.00 175.10 176.41 1q82 s ASN 44 N -0.28 5.81 0.37 3.32 0.01 -1.26 0.15 114.94 123.07 1q82 s ASN 44 Ca 0.06 0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.35 1q82 s ASN 44 Cb -0.12 -1.36 0.73 0.00 0.41 0.00 0.00 41.25 40.91 1q82 s ASN 44 CO 0.02 -0.67 2.02 -0.07 -1.51 0.00 0.00 177.10 176.89 1q82 h LEU 45 N 0.52 0.63 -0.94 0.60 3.38 -0.77 -2.84 115.31 115.89 1q82 h LEU 45 Ca -0.45 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 57.72 1q82 h LEU 45 Cb 1.26 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 1q82 h LEU 45 CO 0.55 0.45 0.50 1.23 0.09 0.00 0.00 178.44 181.25 1q82 h GLY 46 N 0.74 1.68 1.41 0.83 0.00 -1.72 -0.26 103.07 105.74 1q82 h GLY 46 Ca 0.22 -0.25 -0.26 0.00 0.00 0.00 0.00 47.33 47.04 1q82 h GLY 46 CO -0.05 -0.21 -1.07 -0.09 0.00 0.00 0.00 176.54 175.11 1q82 h ARG 47 N 0.53 0.51 -0.42 4.80 2.43 -1.83 -2.81 114.38 117.59 1q82 h ARG 47 Ca 0.58 -0.61 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1q82 h ARG 47 Cb 1.06 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1q82 h ARG 47 CO -0.47 1.24 0.21 0.82 -1.51 0.00 0.00 179.97 180.25 1q82 h ILE 48 N 0.26 1.17 -0.25 1.20 2.04 -1.33 -2.25 117.51 118.36 1q82 h ILE 48 Ca -0.12 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1q82 h ILE 48 Cb 1.73 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1q82 h ILE 48 CO 0.20 0.19 0.03 -0.08 0.00 0.00 0.00 178.15 178.49 1q82 h GLU 49 N 0.54 0.36 -0.01 2.37 4.57 -1.13 -1.39 114.58 119.90 1q82 h GLU 49 Ca 0.15 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.09 1q82 h GLU 49 Cb 0.11 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1q82 h GLU 49 CO -0.02 0.37 -0.82 -0.09 -1.18 0.00 0.00 179.01 177.27 1q82 h ARG 50 N 0.36 0.14 -0.00 1.92 2.43 -1.14 -3.37 114.38 114.73 1q82 h ARG 50 Ca 0.09 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1q82 h ARG 50 Cb 0.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1q82 h ARG 50 CO 0.00 0.88 -0.00 0.66 -1.51 0.00 0.00 179.97 180.00 1q82 n TYR 51 N -3.67 0.00 -2.36 2.20 4.02 -1.01 -5.05 117.16 111.29 1q82 n TYR 51 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.62 1q82 n TYR 51 Cb 0.77 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.14 1q82 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q82 s ALA 52 N -0.13 3.37 -0.11 -0.72 0.00 -0.53 -5.09 121.76 118.55 1q82 s ALA 52 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1q82 s ALA 52 Cb 0.00 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.69 1q82 s ALA 52 CO 0.00 -1.06 0.42 1.14 0.00 0.00 0.00 175.76 176.26 1q82 s GLN 53 N -5.07 0.59 0.50 0.00 -2.07 -1.26 -4.98 119.66 107.37 1q82 s GLN 53 Ca 0.58 0.36 -0.22 0.00 -1.82 0.00 0.00 55.36 54.26 1q82 s GLN 53 Cb -0.11 0.28 -0.08 0.00 -1.09 0.00 0.00 33.01 32.02 1q82 s GLN 53 CO 0.43 -0.11 1.09 0.39 -1.32 0.00 0.00 175.29 175.76 1q82 n GLU 54 N 2.28 1.34 -1.17 9.60 1.02 -1.26 -2.49 120.64 129.97 1q82 n GLU 54 Ca -0.16 0.49 -0.06 0.00 -0.02 0.00 0.00 57.16 57.42 1q82 n GLU 54 Cb 0.57 -2.22 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 1q82 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q82 n ASP 55 N -0.19 -4.26 -3.80 1.62 8.00 -1.26 -4.98 116.55 111.68 1q82 n ASP 55 Ca 0.10 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.46 1q82 n ASP 55 Cb 0.43 -2.27 -0.16 0.00 -0.02 0.00 0.00 41.12 39.11 1q82 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1q82 s GLU 56 N -2.05 0.96 0.14 -1.24 2.12 -1.04 -4.96 118.70 112.63 1q82 s GLU 56 Ca 0.00 -0.80 -0.31 0.00 0.36 0.00 0.00 54.97 54.21 1q82 s GLU 56 Cb 0.00 -2.24 -0.10 0.00 0.26 0.00 0.00 34.13 32.05 1q82 s GLU 56 CO 0.00 -0.74 1.70 0.99 -0.54 0.00 0.00 175.26 176.67 1q82 s THR 57 N 1.64 2.58 -0.18 -1.70 2.01 -0.92 -4.60 115.64 114.46 1q82 s THR 57 Ca 0.01 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 1q82 s THR 57 Cb -0.18 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1q82 s THR 57 CO -0.12 0.01 0.87 -0.69 -0.69 0.00 0.00 174.62 173.99 1q82 s VAL 58 N 2.02 4.84 -0.25 3.82 1.01 0.26 -0.16 120.40 131.96 1q82 s VAL 58 Ca 0.75 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 64.40 1q82 s VAL 58 Cb -0.45 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1q82 s VAL 58 CO 0.33 -0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 1q82 s VAL 59 N 2.35 3.26 -0.35 2.92 1.01 0.81 0.37 120.40 130.77 1q82 s VAL 59 Ca 0.39 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1q82 s VAL 59 Cb -0.16 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1q82 s VAL 59 CO 0.11 0.25 0.16 -0.69 0.00 0.00 0.00 175.10 174.94 1q82 s VAL 60 N 1.41 4.30 -0.68 2.92 1.01 -0.11 -1.14 120.40 128.10 1q82 s VAL 60 Ca 0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1q82 s VAL 60 Cb -0.16 -3.36 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 1q82 s VAL 60 CO -0.03 -0.15 2.99 -0.81 0.00 0.00 0.00 175.10 177.10 1q82 n PRO 61 N 4.93 2.47 0.00 2.72 -0.04 -1.26 -3.90 135.00 139.92 1q82 n PRO 61 Ca -0.12 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1q82 n PRO 61 Cb 0.46 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1q82 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q82 n GLY 62 N 3.08 0.87 3.17 0.55 0.00 -1.26 -2.32 105.19 109.27 1q82 n GLY 62 Ca 0.53 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.63 1q82 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q82 s LYS 63 N 4.03 0.89 -0.12 1.61 2.20 0.19 -1.03 119.74 127.51 1q82 s LYS 63 Ca 0.00 -0.88 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 1q82 s LYS 63 Cb 0.00 -0.92 -0.03 0.00 -1.51 0.00 0.00 37.83 35.37 1q82 s LYS 63 CO 0.00 0.22 -0.01 0.08 -0.36 0.00 0.00 175.35 175.28 1q82 s VAL 64 N -1.08 4.18 0.13 4.02 1.01 -0.40 -1.14 120.40 127.13 1q82 s VAL 64 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1q82 s VAL 64 Cb -0.09 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1q82 s VAL 64 CO 0.02 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.75 1q82 s LEU 65 N -0.24 2.79 -0.09 3.92 1.43 0.40 -1.43 118.68 125.46 1q82 s LEU 65 Ca 0.05 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1q82 s LEU 65 Cb -0.12 -1.60 0.18 0.00 0.03 0.00 0.00 46.19 44.68 1q82 s LEU 65 CO 0.02 0.16 1.06 0.61 0.23 0.00 0.00 176.35 178.43 1q82 n GLY 66 N 0.63 2.31 3.78 -3.19 0.00 -1.26 -2.27 105.19 105.19 1q82 n GLY 66 Ca -0.14 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1q82 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q82 s SER 67 N 0.20 7.35 0.00 1.61 0.01 -1.26 -4.79 113.70 116.82 1q82 s SER 67 Ca 0.14 1.61 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1q82 s SER 67 Cb 0.11 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1q82 s SER 67 CO 0.03 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1q82 n GLY 68 N 1.52 -2.41 3.21 3.44 0.00 -1.26 -1.36 105.19 108.33 1q82 n GLY 68 Ca -0.06 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 1q82 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 69 N -0.32 1.74 -0.15 1.61 1.01 -1.26 -4.71 120.40 118.33 1q82 s VAL 69 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1q82 s VAL 69 Cb 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1q82 s VAL 69 CO 0.00 0.49 -0.19 -0.22 0.00 0.00 0.00 175.10 175.18 1q82 s LEU 70 N -0.12 1.99 -0.06 3.92 2.96 -1.26 -4.48 118.68 121.63 1q82 s LEU 70 Ca -0.02 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1q82 s LEU 70 Cb -0.12 -1.36 -0.06 0.00 0.50 0.00 0.00 46.19 45.15 1q82 s LEU 70 CO 0.02 0.03 -0.01 0.00 -1.32 0.00 0.00 176.35 175.07 1q82 n GLN 71 N 4.33 1.92 -1.73 1.98 6.02 -1.26 -4.83 117.38 123.81 1q82 n GLN 71 Ca -0.20 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 1q82 n GLN 71 Cb 0.51 -1.13 0.01 0.00 1.02 0.00 0.00 30.24 30.64 1q82 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q82 n LYS 72 N -2.40 2.21 -2.85 -1.09 5.02 -1.26 -4.89 118.16 112.89 1q82 n LYS 72 Ca -0.10 0.78 -0.44 0.00 -2.02 0.00 0.00 58.31 56.54 1q82 n LYS 72 Cb 0.65 -2.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.16 1q82 n LYS 72 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1q82 s ASP 73 N -0.39 6.99 0.38 4.39 2.15 -1.25 -4.59 116.67 124.35 1q82 s ASP 73 Ca 0.58 -2.81 0.08 0.00 0.43 0.00 0.00 52.55 50.83 1q82 s ASP 73 Cb -0.50 -2.45 -0.04 0.00 -0.30 0.00 0.00 42.92 39.64 1q82 s ASP 73 CO 0.60 -0.87 0.21 0.68 -0.17 0.00 0.00 175.17 175.61 1q82 s VAL 74 N 2.31 2.66 -0.23 1.11 -7.23 -1.26 -4.66 120.40 113.10 1q82 s VAL 74 Ca 0.45 -1.62 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1q82 s VAL 74 Cb -0.01 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 1q82 s VAL 74 CO 0.01 -0.07 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.83 1q82 s THR 75 N -2.50 3.65 -0.12 5.32 2.01 -1.26 -1.81 115.64 120.91 1q82 s THR 75 Ca 0.41 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 1q82 s THR 75 Cb -0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1q82 s THR 75 CO 0.24 0.40 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 1q82 s VAL 76 N 1.50 3.75 -0.15 3.82 1.01 -0.44 -0.57 120.40 129.32 1q82 s VAL 76 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1q82 s VAL 76 Cb -0.14 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1q82 s VAL 76 CO -0.01 0.53 -0.21 0.00 0.00 0.00 0.00 175.10 175.41 1q82 s ALA 77 N -0.03 2.24 0.24 5.51 0.00 0.16 -0.16 121.76 129.72 1q82 s ALA 77 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1q82 s ALA 77 Cb -0.13 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1q82 s ALA 77 CO 0.03 -0.15 0.18 0.00 0.00 0.00 0.00 175.76 175.82 1q82 s ALA 78 N 0.99 1.32 0.13 0.00 0.00 -1.05 -0.94 121.76 122.22 1q82 s ALA 78 Ca -0.03 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.03 1q82 s ALA 78 Cb -0.15 1.40 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 1q82 s ALA 78 CO -0.06 -0.62 1.48 0.28 0.00 0.00 0.00 175.76 176.85 1q82 h VAL 79 N 2.48 1.28 -2.43 0.00 2.07 -1.19 -2.65 116.25 115.80 1q82 h VAL 79 Ca -0.33 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 65.75 1q82 h VAL 79 Cb 1.25 1.35 -0.16 0.00 -1.52 0.00 0.00 31.29 32.21 1q82 h VAL 79 CO 0.48 0.49 0.32 -0.62 0.02 0.00 0.00 177.57 178.26 1q82 s ASP 80 N -6.70 -0.51 -0.02 0.57 2.15 -1.18 -4.80 116.67 106.18 1q82 s ASP 80 Ca -0.12 0.19 0.05 0.00 0.43 0.00 0.00 52.55 53.10 1q82 s ASP 80 Cb 0.11 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 1q82 s ASP 80 CO 0.86 -0.73 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.61 1q82 s PHE 81 N -2.76 1.51 0.95 -5.34 0.40 -1.26 -1.28 117.98 110.21 1q82 s PHE 81 Ca -0.01 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 1q82 s PHE 81 Cb -0.01 -0.99 0.17 0.00 0.51 0.00 0.00 43.02 42.70 1q82 s PHE 81 CO -0.06 -0.05 1.12 -1.54 0.70 0.00 0.00 175.22 175.39 1q82 s SER 82 N -0.29 2.65 0.34 1.36 1.04 -0.51 -4.74 113.70 113.55 1q82 s SER 82 Ca 0.04 2.00 0.04 0.00 0.48 0.00 0.00 55.95 58.51 1q82 s SER 82 Cb -0.07 -2.50 0.62 0.00 0.10 0.00 0.00 66.02 64.17 1q82 s SER 82 CO -0.00 -3.24 1.90 1.23 0.98 0.00 0.00 173.24 174.11 1q82 h GLY 83 N -1.96 0.61 0.91 7.32 0.00 -1.99 -2.27 103.07 105.68 1q82 h GLY 83 Ca -0.47 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.44 1q82 h GLY 83 CO 0.45 0.31 -0.17 -0.84 0.00 0.00 0.00 176.54 176.29 1q82 h THR 84 N 0.55 1.30 0.22 4.70 2.02 -1.96 -2.58 112.91 117.16 1q82 h THR 84 Ca 0.12 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1q82 h THR 84 Cb 0.26 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1q82 h THR 84 CO 0.00 0.41 -0.23 0.00 0.37 0.00 0.00 175.52 176.08 1q82 h ALA 85 N 0.74 -0.46 0.00 6.16 0.00 -1.82 0.85 119.26 124.73 1q82 h ALA 85 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q82 h ALA 85 Cb 0.70 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1q82 h ALA 85 CO 0.05 -0.79 -0.01 1.49 0.00 0.00 0.00 179.25 179.99 1q82 h GLU 86 N -0.48 0.00 0.15 0.00 4.81 -1.45 0.26 114.58 117.87 1q82 h GLU 86 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1q82 h GLU 86 Cb 0.45 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.85 1q82 h GLU 86 CO -0.06 0.01 -0.98 1.15 -0.73 0.00 0.00 179.01 178.40 1q82 h THR 87 N 0.00 1.41 -0.34 0.32 2.02 -0.85 -2.95 112.91 112.51 1q82 h THR 87 Ca -0.00 -2.53 -0.09 0.00 0.77 0.00 0.00 66.41 64.56 1q82 h THR 87 Cb 0.03 3.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1q82 h THR 87 CO 0.00 0.72 -0.16 0.11 0.37 0.00 0.00 175.52 176.57 1q82 h LYS 88 N -0.31 0.62 -0.22 6.66 1.57 -0.20 -3.10 116.57 121.59 1q82 h LYS 88 Ca -0.18 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.28 1q82 h LYS 88 Cb 1.71 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.97 1q82 h LYS 88 CO 0.15 0.75 -0.30 0.82 -0.57 0.00 0.00 179.45 180.30 1q82 h ILE 89 N 0.56 1.33 0.00 1.86 2.04 -1.08 -3.01 117.51 119.20 1q82 h ILE 89 Ca 0.09 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1q82 h ILE 89 Cb 0.59 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1q82 h ILE 89 CO 0.04 0.46 0.00 0.47 0.00 0.00 0.00 178.15 179.12 1q82 n ASP 90 N -4.32 0.31 0.11 1.72 8.00 -1.12 0.12 116.55 121.37 1q82 n ASP 90 Ca -0.05 0.59 -0.04 0.00 0.71 0.00 0.00 54.79 56.00 1q82 n ASP 90 Cb 0.47 -0.65 0.08 0.00 -0.02 0.00 0.00 41.12 41.00 1q82 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1q82 h GLN 91 N 0.00 0.06 0.00 -1.24 4.20 -1.45 -3.35 115.11 113.32 1q82 h GLN 91 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1q82 h GLN 91 Cb 0.25 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1q82 h GLN 91 CO 0.00 0.76 -0.10 1.33 -0.67 0.00 0.00 178.83 180.15 1q82 n VAL 92 N -3.70 0.00 0.00 -0.54 0.24 -0.85 -5.09 118.33 108.39 1q82 n VAL 92 Ca -0.01 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1q82 n VAL 92 Cb 0.71 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 1q82 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q82 n GLY 93 N 0.96 3.84 3.22 7.63 0.00 0.33 -3.95 105.19 117.23 1q82 n GLY 93 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1q82 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q82 s GLU 94 N 3.92 0.33 -0.19 1.61 2.12 -0.75 -4.38 118.70 121.36 1q82 s GLU 94 Ca 0.00 0.81 -0.17 0.00 0.36 0.00 0.00 54.97 55.97 1q82 s GLU 94 Cb 0.00 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1q82 s GLU 94 CO 0.00 -0.19 0.44 0.00 -0.54 0.00 0.00 175.26 174.97 1q82 s ALA 95 N 1.73 3.54 0.01 6.30 0.00 -1.26 -1.33 121.76 130.76 1q82 s ALA 95 Ca -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1q82 s ALA 95 Cb -0.10 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1q82 s ALA 95 CO -0.12 -0.30 -0.09 0.08 0.00 0.00 0.00 175.76 175.32 1q82 s VAL 96 N 1.32 0.74 0.48 0.00 1.01 0.77 -4.96 120.40 119.77 1q82 s VAL 96 Ca 0.21 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1q82 s VAL 96 Cb -0.15 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 1q82 s VAL 96 CO 0.09 0.09 1.05 -0.94 0.00 0.00 0.00 175.10 175.38 1q82 s SER 97 N -0.54 6.31 0.56 3.32 1.04 -1.26 -2.53 113.70 120.60 1q82 s SER 97 Ca 0.01 1.97 0.24 0.00 0.48 0.00 0.00 55.95 58.65 1q82 s SER 97 Cb -0.05 -2.57 1.56 0.00 0.10 0.00 0.00 66.02 65.07 1q82 s SER 97 CO 0.00 -0.80 2.19 0.25 0.98 0.00 0.00 173.24 175.85 1q82 h LEU 98 N 1.62 0.00 -0.96 2.42 5.85 -1.78 -0.03 115.31 122.43 1q82 h LEU 98 Ca -0.49 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 1q82 h LEU 98 Cb 1.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1q82 h LEU 98 CO 0.59 0.00 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.86 1q82 h GLU 99 N 0.00 0.00 0.12 1.25 3.07 -1.91 -1.18 114.58 115.93 1q82 h GLU 99 Ca 0.02 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.66 1q82 h GLU 99 Cb 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1q82 h GLU 99 CO -0.00 0.50 -0.92 1.96 -1.40 0.00 0.00 179.01 179.15 1q82 h GLN 100 N 0.00 0.42 -0.24 2.33 4.20 -1.41 -3.13 115.11 117.29 1q82 h GLN 100 Ca -0.01 -0.61 0.06 0.00 0.06 0.00 0.00 58.65 58.15 1q82 h GLN 100 Cb 0.92 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 28.85 1q82 h GLN 100 CO 0.07 1.26 -0.13 0.00 -0.67 0.00 0.00 178.83 179.35 1q82 h ALA 101 N 0.19 0.05 -0.43 3.87 0.00 -1.17 0.18 119.26 121.95 1q82 h ALA 101 Ca -0.15 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1q82 h ALA 101 Cb 1.68 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1q82 h ALA 101 CO 0.18 -0.55 0.33 0.82 0.00 0.00 0.00 179.25 180.02 1q82 h ILE 102 N -0.11 0.71 0.14 0.00 2.04 -1.28 -0.97 117.51 118.03 1q82 h ILE 102 Ca 0.13 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.65 1q82 h ILE 102 Cb 0.31 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1q82 h ILE 102 CO -0.31 0.00 -1.80 -0.08 0.00 0.00 0.00 178.15 175.96 1q82 h GLU 103 N 0.00 0.30 -0.00 2.37 4.81 -0.86 -3.00 114.58 118.20 1q82 h GLU 103 Ca 0.20 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1q82 h GLU 103 Cb 0.85 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1q82 h GLU 103 CO -0.00 1.19 -0.01 0.09 -0.73 0.00 0.00 179.01 179.55 1q82 n ASN 104 N -3.49 0.02 -2.73 1.04 3.02 0.41 -4.34 115.26 109.19 1q82 n ASN 104 Ca -0.25 -0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.02 1q82 n ASN 104 Cb 1.06 -0.26 0.07 0.00 -0.61 0.00 0.00 39.78 40.04 1q82 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1q82 n ASN 105 N -1.26 -2.38 0.20 6.41 5.15 -0.41 -4.99 115.26 117.98 1q82 n ASN 105 Ca 0.15 -3.09 0.14 0.00 -0.60 0.00 0.00 54.58 51.18 1q82 n ASN 105 Cb 0.24 1.65 0.71 0.00 -0.53 0.00 0.00 39.78 41.85 1q82 n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1q82 h PRO 106 N 3.44 0.00 0.00 1.20 0.13 -1.72 -0.69 132.00 134.36 1q82 h PRO 106 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1q82 h PRO 106 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q82 h PRO 106 CO 0.17 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.27 1q82 n GLU 107 N -2.51 0.15 -3.56 0.86 4.71 -1.26 -3.82 120.64 115.22 1q82 n GLU 107 Ca -0.01 0.11 -0.24 0.00 -0.01 0.00 0.00 57.16 57.01 1q82 n GLU 107 Cb 0.11 -1.67 0.05 0.00 -1.01 0.00 0.00 31.44 28.92 1q82 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1q82 n GLY 108 N 1.39 -0.90 3.61 0.62 0.00 -0.27 -3.17 105.19 106.48 1q82 n GLY 108 Ca 0.06 0.43 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 1q82 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q82 s SER 109 N -3.63 4.66 -1.10 1.61 1.04 -1.26 -4.67 113.70 110.34 1q82 s SER 109 Ca 0.37 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.53 1q82 s SER 109 Cb -0.10 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 1q82 s SER 109 CO 0.81 0.25 0.88 1.41 0.98 0.00 0.00 173.24 177.58 1q82 n HIS 110 N 1.28 -2.27 -4.20 5.02 8.25 -1.26 -4.87 115.22 117.17 1q82 n HIS 110 Ca -0.14 0.77 -0.16 0.00 -0.26 0.00 0.00 57.72 57.92 1q82 n HIS 110 Cb 0.52 -4.07 -0.13 0.00 1.12 0.00 0.00 29.99 27.43 1q82 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q82 s VAL 111 N -3.42 0.63 -0.12 1.59 0.11 -1.26 -2.17 120.40 115.75 1q82 s VAL 111 Ca 0.39 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 1q82 s VAL 111 Cb -0.08 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1q82 s VAL 111 CO 0.77 -0.03 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.72 1q82 s ARG 112 N -0.75 2.61 -0.18 1.54 6.06 0.78 -4.93 118.95 124.08 1q82 s ARG 112 Ca -0.01 -0.71 -0.23 0.00 -2.50 0.00 0.00 55.73 52.28 1q82 s ARG 112 Cb -0.06 -2.15 -0.02 0.00 0.06 0.00 0.00 34.95 32.78 1q82 s ARG 112 CO 0.00 -0.03 0.74 0.08 -2.50 0.00 0.00 175.30 173.60 1q82 s VAL 113 N 0.88 4.94 -0.04 7.11 1.01 -1.26 -0.13 120.40 132.91 1q82 s VAL 113 Ca -0.07 1.44 0.06 0.00 0.00 0.00 0.00 61.98 63.40 1q82 s VAL 113 Cb -0.15 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1q82 s VAL 113 CO -0.01 0.06 -0.22 -0.63 0.00 0.00 0.00 175.10 174.30 1q82 s ILE 114 N 2.05 1.78 0.00 2.22 -1.09 -0.29 -4.94 121.20 120.93 1q82 s ILE 114 Ca 0.34 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1q82 s ILE 114 Cb -0.16 -1.50 0.00 0.00 -1.58 0.00 0.00 42.46 39.21 1q82 s ILE 114 CO 0.11 0.50 0.00 -2.11 -1.23 0.00 0.00 174.94 172.22