#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqz n ALA 2 N 0.00 -2.71 -2.82 3.04 0.00 -1.26 -5.12 120.51 111.64 1tqz n ALA 2 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 1tqz n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tqz n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tqz s ALA 3 N -1.69 -1.86 0.00 0.00 0.00 -1.26 -4.96 121.76 111.99 1tqz s ALA 3 Ca 0.22 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1tqz s ALA 3 Cb -0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1tqz s ALA 3 CO -0.02 -2.22 0.00 0.39 0.00 0.00 0.00 175.76 173.91 1tqz n GLU 4 N 2.97 0.00 -2.53 0.00 1.02 -1.26 -4.97 120.64 115.87 1tqz n GLU 4 Ca 0.19 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.90 1tqz n GLU 4 Cb 0.55 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1tqz n GLU 4 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1tqz n LEU 5 N 0.00 6.03 -3.38 -4.62 -0.00 -1.26 -4.84 117.00 108.93 1tqz n LEU 5 Ca 0.00 -4.49 -0.16 0.00 -0.00 0.00 0.00 56.01 51.36 1tqz n LEU 5 Cb 0.03 -1.56 -0.09 0.00 -0.00 0.00 0.00 43.42 41.79 1tqz n LEU 5 CO 0.00 1.03 -0.16 -1.61 -0.00 0.00 0.00 177.39 176.66 1tqz s GLU 6 N 1.31 0.40 0.00 1.47 2.02 -1.26 -5.13 118.70 117.50 1tqz s GLU 6 Ca 0.42 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1tqz s GLU 6 Cb 0.05 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.66 1tqz s GLU 6 CO 0.00 -1.07 0.00 0.98 0.02 0.00 0.00 175.26 175.20 1tqz n TYR 7 N 5.09 -0.52 -2.23 1.61 9.36 -1.26 -5.07 117.16 124.15 1tqz n TYR 7 Ca 0.01 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.84 1tqz n TYR 7 Cb 0.46 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.15 1tqz n TYR 7 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1tqz n GLU 8 N 0.00 2.61 -3.65 2.98 1.02 -1.26 -4.84 120.64 117.50 1tqz n GLU 8 Ca 0.00 -2.87 -0.06 0.00 -0.02 0.00 0.00 57.16 54.21 1tqz n GLU 8 Cb 0.00 -3.49 -0.07 0.00 -0.02 0.00 0.00 31.44 27.86 1tqz n GLU 8 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1tqz s SER 9 N 4.74 -0.85 0.36 1.62 0.01 -1.26 -4.61 113.70 113.72 1tqz s SER 9 Ca 0.57 1.37 0.07 0.00 1.31 0.00 0.00 55.95 59.27 1tqz s SER 9 Cb 0.05 1.56 0.78 0.00 0.21 0.00 0.00 66.02 68.62 1tqz s SER 9 CO 0.08 -0.23 1.92 -0.37 0.41 0.00 0.00 173.24 175.05 1tqz h VAL 10 N 5.54 0.94 -5.77 3.43 -1.51 -1.85 -3.46 116.25 113.58 1tqz h VAL 10 Ca -0.26 -0.25 -0.35 0.00 -1.23 0.00 0.00 66.70 64.61 1tqz h VAL 10 Cb 1.17 0.16 -0.14 0.00 -2.13 0.00 0.00 31.29 30.35 1tqz h VAL 10 CO 0.16 0.13 -0.52 0.00 -1.23 0.00 0.00 177.57 176.11 1tqz n LEU 11 N -4.51 -1.01 -4.75 4.19 -0.00 -1.17 -4.70 117.00 105.06 1tqz n LEU 11 Ca 0.13 -0.40 -0.40 0.00 -0.00 0.00 0.00 56.01 55.34 1tqz n LEU 11 Cb 0.33 -1.74 -0.05 0.00 -0.00 0.00 0.00 43.42 41.97 1tqz n LEU 11 CO 0.32 0.10 0.73 0.00 -0.00 0.00 0.00 177.39 178.54 1tqz s VAL 13 N -1.10 0.06 -0.40 0.00 -7.23 -1.26 -0.25 120.40 110.22 1tqz s VAL 13 Ca 0.43 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1tqz s VAL 13 Cb -0.29 -1.18 0.20 0.00 0.56 0.00 0.00 36.38 35.67 1tqz s VAL 13 CO 0.37 -0.28 0.96 -0.54 -0.31 0.00 0.00 175.10 175.30 1tqz s LYS 14 N -3.81 0.50 -0.14 4.82 -0.14 -0.98 -4.93 119.74 115.07 1tqz s LYS 14 Ca 0.03 -0.46 -0.04 0.00 -1.36 0.00 0.00 55.97 54.14 1tqz s LYS 14 Cb 0.01 -0.01 -0.15 0.00 -1.68 0.00 0.00 37.83 36.00 1tqz s LYS 14 CO -0.11 -0.63 2.41 -0.35 -0.76 0.00 0.00 175.35 175.91 1tqz n PRO 15 N 2.89 1.39 -2.70 -1.68 -0.04 -1.26 -3.85 135.00 129.74 1tqz n PRO 15 Ca 0.13 -0.75 -0.04 0.00 -0.04 0.00 0.00 63.50 62.80 1tqz n PRO 15 Cb 0.62 -1.90 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1tqz n PRO 15 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1tqz n ASP 16 N 2.89 -2.02 -3.74 3.54 5.75 -1.26 -4.82 116.55 116.88 1tqz n ASP 16 Ca 0.30 -1.88 -0.05 0.00 -0.01 0.00 0.00 54.79 53.14 1tqz n ASP 16 Cb 0.51 1.09 -0.02 0.00 -1.03 0.00 0.00 41.12 41.67 1tqz n ASP 16 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tqz s VAL 17 N 0.70 0.00 -0.11 2.12 0.11 -1.22 -4.97 120.40 117.03 1tqz s VAL 17 Ca 0.27 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 1tqz s VAL 17 Cb 0.14 -1.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.13 1tqz s VAL 17 CO -0.11 0.00 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.06 1tqz s SER 18 N -2.88 3.73 0.40 3.54 0.01 -0.10 -2.59 113.70 115.80 1tqz s SER 18 Ca 0.11 -0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.06 1tqz s SER 18 Cb -0.03 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1tqz s SER 18 CO 0.02 0.19 0.52 -0.69 0.41 0.00 0.00 173.24 173.69 1tqz s VAL 19 N 0.18 3.22 0.01 3.43 1.01 -0.20 0.05 120.40 128.10 1tqz s VAL 19 Ca -0.10 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1tqz s VAL 19 Cb -0.16 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1tqz s VAL 19 CO 0.06 -0.04 -0.13 -0.31 0.00 0.00 0.00 175.10 174.67 1tqz s TYR 20 N -2.32 1.19 -0.16 5.22 2.02 0.54 -1.32 117.35 122.51 1tqz s TYR 20 Ca 0.52 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1tqz s TYR 20 Cb -0.09 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1tqz s TYR 20 CO 0.32 0.00 -0.16 0.50 -1.57 0.00 0.00 175.55 174.64 1tqz s ARG 21 N -0.64 2.50 -0.26 -0.62 6.06 -1.26 -2.59 118.95 122.13 1tqz s ARG 21 Ca 0.04 -0.64 -0.04 0.00 -2.50 0.00 0.00 55.73 52.58 1tqz s ARG 21 Cb -0.06 -2.24 0.01 0.00 0.06 0.00 0.00 34.95 32.71 1tqz s ARG 21 CO 0.00 -0.23 0.00 0.42 -2.50 0.00 0.00 175.30 172.99 1tqz s ILE 22 N 1.43 3.46 0.37 4.11 -1.09 -1.26 -4.47 121.20 123.75 1tqz s ILE 22 Ca 0.05 -0.73 0.14 0.00 -2.23 0.00 0.00 60.65 57.87 1tqz s ILE 22 Cb -0.13 -2.72 0.11 0.00 -1.58 0.00 0.00 42.46 38.15 1tqz s ILE 22 CO -0.11 0.22 1.85 1.55 -1.23 0.00 0.00 174.94 177.21 1tqz h PRO 23 N 8.13 0.00 -6.38 2.79 0.13 -2.03 -3.42 132.00 131.22 1tqz h PRO 23 Ca -0.35 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.22 1tqz h PRO 23 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1tqz h PRO 23 CO 0.59 0.34 1.18 -1.25 -0.23 0.00 0.00 178.00 178.63 1tqz s PRO 24 N -4.22 3.38 -0.56 1.56 0.04 -1.26 -4.92 135.00 129.03 1tqz s PRO 24 Ca -0.03 1.07 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1tqz s PRO 24 Cb 0.14 -4.13 0.24 0.00 0.04 0.00 0.00 34.50 30.79 1tqz s PRO 24 CO 0.72 -1.80 0.64 0.54 0.04 0.00 0.00 177.00 177.13 1tqz n ARG 25 N 8.35 1.82 -4.31 4.56 1.74 -1.26 -4.98 116.66 122.58 1tqz n ARG 25 Ca 0.19 -4.17 -0.19 0.00 -0.77 0.00 0.00 57.85 52.91 1tqz n ARG 25 Cb 0.48 -1.93 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 1tqz n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tqz s ALA 26 N -1.88 1.94 0.02 7.54 0.00 -1.26 -5.08 121.76 123.03 1tqz s ALA 26 Ca 0.37 -1.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.27 1tqz s ALA 26 Cb 0.13 1.37 -0.08 0.00 0.00 0.00 0.00 23.12 24.54 1tqz s ALA 26 CO -0.06 -0.61 1.11 1.03 0.00 0.00 0.00 175.76 177.22 1tqz h SER 27 N 2.14 -0.42 -0.34 0.00 0.87 -2.03 -3.20 113.55 110.57 1tqz h SER 27 Ca -0.28 0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 59.77 1tqz h SER 27 Cb 1.24 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.26 1tqz h SER 27 CO 0.41 -0.28 1.96 0.59 -0.53 0.00 0.00 176.83 178.98 1tqz n ASN 28 N -3.47 7.36 -0.10 6.23 3.02 -1.26 -3.93 115.26 123.11 1tqz n ASN 28 Ca -0.06 -2.72 0.01 0.00 -0.03 0.00 0.00 54.58 51.78 1tqz n ASN 28 Cb 0.20 -1.44 0.02 0.00 -0.61 0.00 0.00 39.78 37.94 1tqz n ASN 28 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1tqz n ARG 29 N 2.60 1.07 -4.21 3.52 3.00 -1.21 -5.07 116.66 116.37 1tqz n ARG 29 Ca 0.62 -1.18 -0.33 0.00 -0.00 0.00 0.00 57.85 56.96 1tqz n ARG 29 Cb 0.47 -0.79 -0.08 0.00 0.00 0.00 0.00 32.46 32.06 1tqz n ARG 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1tqz s GLY 30 N -0.89 1.93 -0.21 5.14 0.00 -1.25 -4.89 107.32 107.15 1tqz s GLY 30 Ca 0.05 -0.91 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 1tqz s GLY 30 CO 0.00 -0.77 0.90 -0.47 0.00 0.00 0.00 173.10 172.76 1tqz s TYR 31 N -1.12 -0.55 0.90 1.90 6.14 -1.26 -5.16 117.35 118.20 1tqz s TYR 31 Ca 0.21 1.20 -0.11 0.00 0.64 0.00 0.00 57.07 59.01 1tqz s TYR 31 Cb -0.12 0.37 0.13 0.00 0.42 0.00 0.00 41.96 42.76 1tqz s TYR 31 CO 0.11 -0.35 1.09 1.03 0.64 0.00 0.00 175.55 178.08 1tqz s ARG 32 N -0.27 1.22 0.00 4.97 1.81 -1.26 -4.70 118.95 120.72 1tqz s ARG 32 Ca -0.01 0.99 0.02 0.00 -1.72 0.00 0.00 55.73 55.01 1tqz s ARG 32 Cb -0.03 -1.79 0.10 0.00 -0.45 0.00 0.00 34.95 32.77 1tqz s ARG 32 CO -0.00 -2.32 1.00 0.00 -0.68 0.00 0.00 175.30 173.30 1tqz n ALA 33 N -3.96 1.17 -0.33 2.13 0.00 -1.26 -1.92 120.51 116.34 1tqz n ALA 33 Ca 0.08 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1tqz n ALA 33 Cb 0.54 -1.03 0.25 0.00 0.00 0.00 0.00 19.45 19.21 1tqz n ALA 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tqz h SER 34 N 0.00 0.71 0.00 0.00 4.64 -1.94 -3.27 113.55 113.68 1tqz h SER 34 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1tqz h SER 34 Cb 0.03 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1tqz h SER 34 CO 0.00 0.31 -0.39 -0.90 -0.87 0.00 0.00 176.83 174.98 1tqz n ASP 35 N -4.77 0.00 0.03 4.97 5.75 -1.09 -4.94 116.55 116.50 1tqz n ASP 35 Ca 0.19 -1.78 -0.03 0.00 -0.01 0.00 0.00 54.79 53.16 1tqz n ASP 35 Cb 0.44 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 1tqz n ASP 35 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1tqz h TRP 36 N 0.00 -0.17 -2.46 2.11 7.01 -1.44 -3.50 115.95 117.51 1tqz h TRP 36 Ca 0.00 -0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.25 1tqz h TRP 36 Cb 1.31 0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 28.34 1tqz h TRP 36 CO 0.02 -0.10 -0.53 1.63 -2.79 0.00 0.00 178.44 176.67 1tqz n LYS 37 N -4.61 -2.04 -3.65 2.65 4.76 -1.26 -5.01 118.16 109.00 1tqz n LYS 37 Ca -0.02 1.48 -0.00 0.00 -2.87 0.00 0.00 58.31 56.89 1tqz n LYS 37 Cb 0.07 -2.57 -0.06 0.00 -1.84 0.00 0.00 35.03 30.63 1tqz n LYS 37 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1tqz s LEU 38 N -5.59 -0.25 -0.44 -0.35 2.96 -1.26 -5.10 118.68 108.66 1tqz s LEU 38 Ca 0.00 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1tqz s LEU 38 Cb 0.00 1.37 0.26 0.00 0.50 0.00 0.00 46.19 48.33 1tqz s LEU 38 CO 0.00 -0.06 0.76 -0.90 -1.32 0.00 0.00 176.35 174.83 1tqz n ASP 39 N 3.24 -1.29 0.09 3.68 5.75 -1.26 -4.98 116.55 121.79 1tqz n ASP 39 Ca -0.17 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 1tqz n ASP 39 Cb 0.57 0.66 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 1tqz n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tqz n GLN 40 N 1.26 0.00 0.00 0.11 6.02 -1.26 -5.09 117.38 118.43 1tqz n GLN 40 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1tqz n GLN 40 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 1tqz n GLN 40 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1tqz n PRO 41 N -2.93 0.00 -3.93 -1.09 -0.04 -1.26 -4.91 135.00 120.84 1tqz n PRO 41 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1tqz n PRO 41 Cb 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 1tqz n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1tqz n ASP 42 N 0.00 -2.96 -4.81 3.54 2.03 -1.19 -4.92 116.55 108.24 1tqz n ASP 42 Ca 0.00 -1.12 -0.30 0.00 0.52 0.00 0.00 54.79 53.88 1tqz n ASP 42 Cb 0.00 -2.62 0.07 0.00 -0.72 0.00 0.00 41.12 37.85 1tqz n ASP 42 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1tqz s TRP 43 N -3.72 2.96 -0.23 -0.67 1.48 -0.44 -4.78 118.94 113.55 1tqz s TRP 43 Ca 0.30 1.27 -0.06 0.00 -1.06 0.00 0.00 56.10 56.55 1tqz s TRP 43 Cb -0.13 -3.02 -0.02 0.00 -1.16 0.00 0.00 33.47 29.14 1tqz s TRP 43 CO 0.92 -1.53 0.02 0.99 -4.06 0.00 0.00 176.95 173.28 1tqz s THR 44 N -3.11 3.91 -0.02 0.66 2.01 -1.26 -1.03 115.64 116.81 1tqz s THR 44 Ca 0.60 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1tqz s THR 44 Cb -0.14 -2.80 0.04 0.00 0.01 0.00 0.00 72.50 69.60 1tqz s THR 44 CO 0.55 0.39 0.55 0.61 -0.69 0.00 0.00 174.62 176.02 1tqz n GLY 45 N 4.75 0.41 3.55 4.40 0.00 -1.07 -4.63 105.19 112.59 1tqz n GLY 45 Ca -0.17 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1tqz n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tqz s ARG 46 N -2.00 1.93 -0.02 1.61 1.70 0.36 -3.45 118.95 119.07 1tqz s ARG 46 Ca 0.13 -1.65 0.05 0.00 -0.47 0.00 0.00 55.73 53.79 1tqz s ARG 46 Cb -0.00 -1.92 -0.01 0.00 -0.57 0.00 0.00 34.95 32.45 1tqz s ARG 46 CO -0.01 0.32 -0.17 -1.17 -1.08 0.00 0.00 175.30 173.20 1tqz s LEU 47 N -3.59 2.02 -0.01 -1.89 2.96 -1.25 -2.52 118.68 114.40 1tqz s LEU 47 Ca 0.31 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1tqz s LEU 47 Cb -0.05 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1tqz s LEU 47 CO 0.17 0.20 0.03 -0.60 -1.32 0.00 0.00 176.35 174.83 1tqz s ARG 48 N -0.35 0.03 0.06 1.98 3.52 -1.16 -2.31 118.95 120.72 1tqz s ARG 48 Ca 0.05 0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1tqz s ARG 48 Cb -0.07 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.30 1tqz s ARG 48 CO -0.00 -0.01 -0.09 0.96 -0.81 0.00 0.00 175.30 175.35 1tqz s ILE 49 N 0.04 0.67 0.19 4.11 -4.36 0.65 -2.06 121.20 120.44 1tqz s ILE 49 Ca -0.00 -1.29 -0.12 0.00 -0.26 0.00 0.00 60.65 58.97 1tqz s ILE 49 Cb -0.00 -0.90 0.05 0.00 1.25 0.00 0.00 42.46 42.85 1tqz s ILE 49 CO -0.00 -0.46 0.63 0.35 0.24 0.00 0.00 174.94 175.70 1tqz n THR 50 N 1.12 0.00 -3.66 8.37 -2.24 -0.97 -1.78 114.28 115.11 1tqz n THR 50 Ca -0.20 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 1tqz n THR 50 Cb 0.56 0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 1tqz n THR 50 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tqz s SER 51 N -2.54 -0.78 0.07 3.42 1.04 -1.26 -1.28 113.70 112.37 1tqz s SER 51 Ca 0.13 1.28 -0.28 0.00 0.48 0.00 0.00 55.95 57.57 1tqz s SER 51 Cb -0.03 1.17 -0.17 0.00 0.10 0.00 0.00 66.02 67.10 1tqz s SER 51 CO 0.06 -0.22 1.62 0.11 0.98 0.00 0.00 173.24 175.79 1tqz h LYS 52 N 6.85 -0.42 0.00 4.02 1.57 -1.83 -3.42 116.57 123.34 1tqz h LYS 52 Ca -0.32 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1tqz h LYS 52 Cb 1.21 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1tqz h LYS 52 CO 0.20 -0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1tqz n GLY 53 N -1.14 -1.81 0.06 3.86 0.00 -1.26 -4.96 105.19 99.95 1tqz n GLY 53 Ca -0.10 0.57 0.11 0.00 0.00 0.00 0.00 46.02 46.60 1tqz n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tqz n LYS 54 N -2.55 0.59 -4.66 1.61 4.76 -1.26 -4.97 118.16 111.68 1tqz n LYS 54 Ca 0.00 -0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.13 1tqz n LYS 54 Cb 0.00 -1.68 -0.08 0.00 -1.84 0.00 0.00 35.03 31.43 1tqz n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1tqz s ILE 55 N -3.40 1.03 -0.04 -0.18 -4.36 -1.26 -4.49 121.20 108.50 1tqz s ILE 55 Ca -0.03 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.33 1tqz s ILE 55 Cb 0.12 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.53 1tqz s ILE 55 CO 0.84 0.00 0.10 0.00 0.24 0.00 0.00 174.94 176.12 1tqz s ALA 56 N -2.99 -0.26 0.01 2.27 0.00 -0.66 -2.78 121.76 117.35 1tqz s ALA 56 Ca 0.15 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1tqz s ALA 56 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1tqz s ALA 56 CO 0.08 -0.05 -0.11 1.52 0.00 0.00 0.00 175.76 177.21 1tqz s TYR 57 N 0.06 0.95 0.12 0.00 -0.85 -0.40 -0.46 117.35 116.77 1tqz s TYR 57 Ca -0.00 -0.26 0.10 0.00 -0.52 0.00 0.00 57.07 56.39 1tqz s TYR 57 Cb -0.01 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.71 1tqz s TYR 57 CO 0.00 -0.01 -0.24 0.96 -1.52 0.00 0.00 175.55 174.74 1tqz s ILE 58 N -0.55 2.05 0.04 -3.49 -5.25 -1.16 -2.30 121.20 110.54 1tqz s ILE 58 Ca 0.01 -1.70 0.05 0.00 -0.99 0.00 0.00 60.65 58.03 1tqz s ILE 58 Cb -0.06 -1.84 -0.02 0.00 2.95 0.00 0.00 42.46 43.49 1tqz s ILE 58 CO 0.00 0.01 -0.16 -0.54 -1.79 0.00 0.00 174.94 172.47 1tqz s LYS 59 N -2.06 1.03 -0.07 0.37 3.01 -0.87 -0.89 119.74 120.26 1tqz s LYS 59 Ca 0.12 -0.80 0.04 0.00 -1.01 0.00 0.00 55.97 54.31 1tqz s LYS 59 Cb -0.10 -1.06 0.00 0.00 -1.01 0.00 0.00 37.83 35.66 1tqz s LYS 59 CO 0.06 0.26 -0.19 -0.48 0.51 0.00 0.00 175.35 175.51 1tqz s LEU 60 N -1.16 1.91 -0.08 3.17 2.34 0.13 -2.97 118.68 122.02 1tqz s LEU 60 Ca 0.03 -0.42 -0.32 0.00 0.06 0.00 0.00 54.13 53.47 1tqz s LEU 60 Cb -0.08 -1.11 0.13 0.00 -0.56 0.00 0.00 46.19 44.56 1tqz s LEU 60 CO 0.01 0.13 1.28 -1.83 -1.06 0.00 0.00 176.35 174.88 1tqz s GLU 61 N 0.29 0.33 0.24 1.48 -1.05 -1.05 -2.69 118.70 116.27 1tqz s GLU 61 Ca -0.12 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.24 1tqz s GLU 61 Cb -0.15 0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.57 1tqz s GLU 61 CO 0.05 -0.15 1.02 0.34 0.95 0.00 0.00 175.26 177.46 1tqz s ASP 62 N -2.71 7.46 0.00 0.83 2.15 -1.26 0.13 116.67 123.27 1tqz s ASP 62 Ca 0.13 2.08 0.09 0.00 0.43 0.00 0.00 52.55 55.28 1tqz s ASP 62 Cb 0.03 -2.61 0.47 0.00 -0.30 0.00 0.00 42.92 40.50 1tqz s ASP 62 CO -0.04 -0.00 1.16 2.29 -0.17 0.00 0.00 175.17 178.40 1tqz n LYS 63 N 1.52 0.14 -0.05 4.34 -0.00 -1.26 -3.09 118.16 119.75 1tqz n LYS 63 Ca -0.01 0.19 -0.01 0.00 -0.00 0.00 0.00 58.31 58.47 1tqz n LYS 63 Cb 0.46 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.98 1tqz n LYS 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1tqz h VAL 64 N 0.00 0.13 0.00 0.58 2.07 -1.93 -3.47 116.25 113.63 1tqz h VAL 64 Ca 0.00 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 1tqz h VAL 64 Cb 0.08 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 29.97 1tqz h VAL 64 CO 0.00 0.04 -0.08 -0.24 0.02 0.00 0.00 177.57 177.32 1tqz n SER 65 N -4.76 -1.45 -2.78 0.57 2.88 -1.18 -5.08 113.62 101.82 1tqz n SER 65 Ca -0.01 -1.95 -0.01 0.00 -1.33 0.00 0.00 58.87 55.57 1tqz n SER 65 Cb 0.05 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 1tqz n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tqz n GLY 66 N 1.43 -3.71 0.00 0.46 0.00 -1.18 -4.96 105.19 97.23 1tqz n GLY 66 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1tqz n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tqz n GLU 67 N 0.66 0.00 0.16 1.61 2.13 -1.26 -4.80 120.64 119.15 1tqz n GLU 67 Ca 0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.69 1tqz n GLU 67 Cb 0.08 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.71 1tqz n GLU 67 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 1tqz h LEU 68 N 0.00 -0.32 -1.30 4.31 8.10 -1.94 -3.46 115.31 120.70 1tqz h LEU 68 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1tqz h LEU 68 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1tqz h LEU 68 CO 0.00 -0.12 0.00 0.33 -4.11 0.00 0.00 178.44 174.54 1tqz n PHE 69 N -5.20 0.00 -3.52 0.17 -0.00 -1.23 -5.09 117.46 102.59 1tqz n PHE 69 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.24 1tqz n PHE 69 Cb 0.21 -0.78 -0.04 0.00 -0.00 0.00 0.00 39.48 38.87 1tqz n PHE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1tqz s ALA 70 N 0.00 -1.83 0.06 3.13 0.00 -1.09 -5.01 121.76 117.01 1tqz s ALA 70 Ca 0.00 1.20 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 1tqz s ALA 70 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1tqz s ALA 70 CO 0.00 -0.53 0.16 1.14 0.00 0.00 0.00 175.76 176.54 1tqz s GLN 71 N -2.24 0.72 -0.31 0.00 0.00 -1.26 0.17 119.66 116.74 1tqz s GLN 71 Ca 0.00 -0.81 0.01 0.00 -0.00 0.00 0.00 55.36 54.56 1tqz s GLN 71 Cb -0.01 0.29 0.09 0.00 0.00 0.00 0.00 33.01 33.39 1tqz s GLN 71 CO -0.03 -0.21 0.07 0.00 0.00 0.00 0.00 175.29 175.12 1tqz s ALA 72 N -3.14 1.98 0.10 2.60 0.00 -0.06 -4.97 121.76 118.27 1tqz s ALA 72 Ca -0.01 -1.88 -0.31 0.00 0.00 0.00 0.00 51.96 49.77 1tqz s ALA 72 Cb 0.02 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 1tqz s ALA 72 CO -0.07 -1.61 1.33 -1.25 0.00 0.00 0.00 175.76 174.16 1tqz s PRO 73 N 1.38 4.35 0.10 0.00 0.04 -1.26 -2.97 135.00 136.64 1tqz s PRO 73 Ca 0.08 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.15 1tqz s PRO 73 Cb -0.18 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1tqz s PRO 73 CO -0.18 -0.38 -0.11 0.08 0.04 0.00 0.00 177.00 176.46 1tqz s VAL 74 N 1.06 0.98 -1.71 -0.36 1.01 0.39 -4.99 120.40 116.78 1tqz s VAL 74 Ca 0.63 -1.61 0.27 0.00 0.00 0.00 0.00 61.98 61.27 1tqz s VAL 74 Cb -0.35 -1.34 0.63 0.00 0.00 0.00 0.00 36.38 35.32 1tqz s VAL 74 CO 0.30 -0.52 1.97 -0.62 0.00 0.00 0.00 175.10 176.23 1tqz n GLU 75 N 0.62 0.62 -3.08 2.72 -0.58 -1.26 -1.65 120.64 118.03 1tqz n GLU 75 Ca -0.16 0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.42 1tqz n GLU 75 Cb 0.57 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.96 1tqz n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1tqz n GLN 76 N -1.15 -2.15 0.11 3.49 0.00 -1.26 -4.30 117.38 112.12 1tqz n GLN 76 Ca 0.17 1.84 0.00 0.00 -0.00 0.00 0.00 57.00 59.01 1tqz n GLN 76 Cb 0.16 -4.56 0.00 0.00 0.00 0.00 0.00 30.24 25.84 1tqz n GLN 76 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1tqz n TYR 77 N -0.46 -3.44 -0.70 3.69 4.19 -1.26 -4.79 117.16 114.39 1tqz n TYR 77 Ca 0.04 0.72 -0.20 0.00 3.31 0.00 0.00 57.90 61.77 1tqz n TYR 77 Cb 0.53 2.07 -0.02 0.00 0.49 0.00 0.00 39.34 42.41 1tqz n TYR 77 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1tqz n PRO 78 N -2.93 1.96 -1.83 2.98 -0.04 -1.26 -4.89 135.00 128.99 1tqz n PRO 78 Ca 0.00 -1.38 -0.43 0.00 -0.04 0.00 0.00 63.50 61.66 1tqz n PRO 78 Cb 0.00 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.03 1tqz n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1tqz s GLY 79 N 3.42 0.79 0.00 0.55 0.00 -1.26 -4.16 107.32 106.66 1tqz s GLY 79 Ca 0.38 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1tqz s GLY 79 CO -0.03 3.47 0.00 4.51 0.00 0.00 0.00 173.10 181.05 1tqz n ILE 80 N 7.26 0.00 -2.76 0.90 0.13 -1.26 -5.05 119.36 118.58 1tqz n ILE 80 Ca 0.25 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.85 1tqz n ILE 80 Cb 0.45 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 39.28 1tqz n ILE 80 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1tqz n ALA 81 N -3.00 -2.16 -3.55 1.51 0.00 -1.26 -4.40 120.51 107.65 1tqz n ALA 81 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1tqz n ALA 81 Cb 0.00 -2.68 -0.14 0.00 0.00 0.00 0.00 19.45 16.64 1tqz n ALA 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1tqz s VAL 82 N -3.13 -0.03 0.01 0.00 -7.23 -1.26 0.10 120.40 108.86 1tqz s VAL 82 Ca 0.16 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1tqz s VAL 82 Cb -0.02 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.63 1tqz s VAL 82 CO 0.57 0.05 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.66 1tqz s GLU 83 N 0.90 0.40 0.48 4.82 -6.30 -0.76 -4.99 118.70 113.25 1tqz s GLU 83 Ca -0.07 -0.38 0.03 0.00 -2.50 0.00 0.00 54.97 52.06 1tqz s GLU 83 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 34.13 33.73 1tqz s GLU 83 CO -0.05 0.07 0.05 0.95 0.02 0.00 0.00 175.26 176.29 1tqz s THR 84 N -0.60 1.47 -0.45 -1.70 -4.23 -1.26 -0.47 115.64 108.40 1tqz s THR 84 Ca -0.03 -1.94 -0.28 0.00 -1.18 0.00 0.00 61.69 58.26 1tqz s THR 84 Cb -0.05 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1tqz s THR 84 CO -0.00 0.00 1.73 0.68 -0.54 0.00 0.00 174.62 176.49 1tqz s VAL 85 N -2.81 3.53 0.29 2.29 -7.23 -1.26 -4.85 120.40 110.36 1tqz s VAL 85 Ca 0.17 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1tqz s VAL 85 Cb 0.03 -3.88 0.15 0.00 0.56 0.00 0.00 36.38 33.24 1tqz s VAL 85 CO 0.09 -0.67 1.82 0.74 -0.31 0.00 0.00 175.10 176.77 1tqz h THR 86 N 6.75 1.22 -0.68 5.32 2.02 -1.97 -2.49 112.91 123.08 1tqz h THR 86 Ca -0.30 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1tqz h THR 86 Cb 1.15 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1tqz h THR 86 CO 1.11 0.30 0.00 0.47 0.37 0.00 0.00 175.52 177.77 1tqz n ASP 87 N -4.26 4.36 -2.24 4.18 8.00 -1.26 -5.02 116.55 120.31 1tqz n ASP 87 Ca 0.03 -2.25 -0.04 0.00 0.71 0.00 0.00 54.79 53.24 1tqz n ASP 87 Cb 0.25 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1tqz n ASP 87 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1tqz n SER 88 N 1.34 -2.07 -4.21 -2.24 7.64 -0.94 -5.00 113.62 108.14 1tqz n SER 88 Ca 0.25 1.07 -0.12 0.00 1.01 0.00 0.00 58.87 61.08 1tqz n SER 88 Cb 0.77 -4.15 -0.10 0.00 -1.01 0.00 0.00 64.21 59.71 1tqz n SER 88 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1tqz s SER 89 N -0.48 0.34 0.00 6.43 0.15 -1.26 -5.04 113.70 113.84 1tqz s SER 89 Ca -0.18 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1tqz s SER 89 Cb 0.01 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1tqz s SER 89 CO 0.47 -0.80 0.87 -2.11 1.20 0.00 0.00 173.24 172.87 1tqz n ARG 90 N -0.27 0.93 -1.97 5.44 0.00 -1.26 -4.81 116.66 114.71 1tqz n ARG 90 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1tqz n ARG 90 Cb 0.66 -1.08 -0.01 0.00 -0.00 0.00 0.00 32.46 32.03 1tqz n ARG 90 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1tqz n TYR 91 N 0.48 -0.61 -3.64 2.89 4.11 -1.26 -4.10 117.16 115.02 1tqz n TYR 91 Ca 0.00 -0.40 -0.05 0.00 -0.00 0.00 0.00 57.90 57.45 1tqz n TYR 91 Cb 0.44 0.09 -0.02 0.00 -0.00 0.00 0.00 39.34 39.85 1tqz n TYR 91 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 1tqz s PHE 92 N -4.69 -0.22 -0.04 -3.48 -0.71 -0.96 -4.43 117.98 103.45 1tqz s PHE 92 Ca 0.05 -0.01 0.06 0.00 -1.04 0.00 0.00 56.93 55.99 1tqz s PHE 92 Cb -0.00 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1tqz s PHE 92 CO 0.04 -0.68 -0.20 0.08 -1.34 0.00 0.00 175.22 173.11 1tqz s VAL 93 N -3.17 2.53 -0.01 -2.49 1.01 0.38 -2.25 120.40 116.41 1tqz s VAL 93 Ca 0.09 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1tqz s VAL 93 Cb -0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1tqz s VAL 93 CO -0.03 0.58 -0.09 -0.51 0.00 0.00 0.00 175.10 175.06 1tqz s ILE 94 N -0.63 0.69 0.11 2.22 -1.16 0.12 -1.83 121.20 120.72 1tqz s ILE 94 Ca 0.10 -0.38 -0.04 0.00 -0.51 0.00 0.00 60.65 59.82 1tqz s ILE 94 Cb -0.11 -0.58 -0.03 0.00 0.61 0.00 0.00 42.46 42.36 1tqz s ILE 94 CO -0.00 0.19 0.11 -0.60 -2.81 0.00 0.00 174.94 171.84 1tqz s ARG 95 N -0.21 0.88 0.08 3.50 3.52 0.29 0.72 118.95 127.72 1tqz s ARG 95 Ca 0.03 -1.23 0.08 0.00 -0.13 0.00 0.00 55.73 54.48 1tqz s ARG 95 Cb -0.03 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1tqz s ARG 95 CO -0.00 -0.26 -0.21 0.42 -0.81 0.00 0.00 175.30 174.43 1tqz s ILE 96 N -3.96 1.74 -0.07 4.11 -1.09 -0.40 -4.41 121.20 117.12 1tqz s ILE 96 Ca 0.14 -1.41 0.03 0.00 -2.23 0.00 0.00 60.65 57.19 1tqz s ILE 96 Cb 0.06 -1.55 -0.02 0.00 -1.58 0.00 0.00 42.46 39.37 1tqz s ILE 96 CO -0.04 0.07 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.00 1tqz s GLN 97 N -1.59 2.70 -0.28 2.79 0.74 -1.26 -2.49 119.66 120.26 1tqz s GLN 97 Ca 0.08 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.76 1tqz s GLN 97 Cb -0.09 -2.38 0.08 0.00 1.10 0.00 0.00 33.01 31.71 1tqz s GLN 97 CO 0.03 0.48 0.00 0.34 -0.55 0.00 0.00 175.29 175.59 1tqz s ASP 98 N -0.36 4.19 0.00 6.67 -1.08 0.09 -4.52 116.67 121.65 1tqz s ASP 98 Ca 0.03 -1.55 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 1tqz s ASP 98 Cb -0.12 -1.27 0.00 0.00 -1.46 0.00 0.00 42.92 40.06 1tqz s ASP 98 CO 0.02 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.02 1tqz n GLY 99 N 4.57 0.29 3.44 2.66 0.00 -1.26 -2.44 105.19 112.44 1tqz n GLY 99 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1tqz n GLY 99 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tqz n THR 100 N -2.09 0.00 0.00 2.61 -2.24 -1.26 -4.78 114.28 106.53 1tqz n THR 100 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1tqz n THR 100 Cb 0.09 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1tqz n THR 100 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1tqz h GLY 101 N 0.00 -0.14 -5.30 3.38 0.00 -1.97 -3.46 103.07 95.59 1tqz h GLY 101 Ca 0.00 0.05 -0.67 0.00 0.00 0.00 0.00 47.33 46.71 1tqz h GLY 101 CO 0.00 -0.05 -0.67 -1.60 0.00 0.00 0.00 176.54 174.22 1tqz s ARG 102 N -2.23 3.00 0.13 4.80 6.06 -1.02 -5.00 118.95 124.67 1tqz s ARG 102 Ca -0.06 -0.51 -0.24 0.00 -2.50 0.00 0.00 55.73 52.42 1tqz s ARG 102 Cb -0.00 -2.71 0.07 0.00 0.06 0.00 0.00 34.95 32.38 1tqz s ARG 102 CO 0.21 0.59 0.64 -1.12 -2.50 0.00 0.00 175.30 173.12 1tqz s SER 103 N -0.59 -0.55 -0.00 -2.12 0.01 -1.26 -0.73 113.70 108.46 1tqz s SER 103 Ca 0.09 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1tqz s SER 103 Cb -0.12 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1tqz s SER 103 CO 0.02 -0.91 -0.07 0.00 0.41 0.00 0.00 173.24 172.69 1tqz s ALA 104 N -3.56 0.59 0.18 1.44 0.00 -1.04 -5.00 121.76 114.37 1tqz s ALA 104 Ca 0.01 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1tqz s ALA 104 Cb -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1tqz s ALA 104 CO -0.12 0.14 -0.08 -0.59 0.00 0.00 0.00 175.76 175.11 1tqz s PHE 105 N -0.21 2.66 0.14 0.00 -0.12 -1.26 -1.28 117.98 117.92 1tqz s PHE 105 Ca 0.02 -0.21 -0.08 0.00 -0.05 0.00 0.00 56.93 56.62 1tqz s PHE 105 Cb -0.03 -1.30 -0.01 0.00 -0.63 0.00 0.00 43.02 41.05 1tqz s PHE 105 CO -0.00 0.51 0.23 0.42 -0.05 0.00 0.00 175.22 176.33 1tqz s ILE 106 N -1.70 0.09 -0.10 -4.49 -1.09 0.22 -4.96 121.20 109.18 1tqz s ILE 106 Ca 0.25 -1.40 -0.02 0.00 -2.23 0.00 0.00 60.65 57.25 1tqz s ILE 106 Cb -0.09 -1.73 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 1tqz s ILE 106 CO 0.16 -0.42 -0.01 -0.83 -1.23 0.00 0.00 174.94 172.61 1tqz s GLY 107 N -2.95 1.82 0.01 6.18 0.00 -1.07 -0.70 107.32 110.62 1tqz s GLY 107 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1tqz s GLY 107 CO -0.03 -0.49 -0.08 -0.26 0.00 0.00 0.00 173.10 172.24 1tqz s ILE 108 N -0.67 0.60 0.00 0.90 -4.36 -0.95 0.20 121.20 116.92 1tqz s ILE 108 Ca 0.11 -0.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1tqz s ILE 108 Cb -0.12 -0.56 0.00 0.00 1.25 0.00 0.00 42.46 43.04 1tqz s ILE 108 CO 0.02 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1tqz n GLY 109 N 2.43 1.03 3.47 6.27 0.00 0.11 -2.26 105.19 116.23 1tqz n GLY 109 Ca -0.16 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1tqz n GLY 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tqz s PHE 110 N -3.51 -0.17 -1.61 1.61 5.36 -1.26 -0.92 117.98 117.47 1tqz s PHE 110 Ca 0.00 -0.16 0.09 0.00 -0.96 0.00 0.00 56.93 55.91 1tqz s PHE 110 Cb 0.00 0.37 0.50 0.00 -0.34 0.00 0.00 43.02 43.56 1tqz s PHE 110 CO 0.00 -0.86 1.12 0.25 -1.46 0.00 0.00 175.22 174.27 1tqz n THR 111 N -0.32 0.54 -3.93 0.12 -2.24 -1.26 -4.72 114.28 102.47 1tqz n THR 111 Ca -0.12 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1tqz n THR 111 Cb 0.63 -0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 67.81 1tqz n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tqz s ASP 112 N -2.39 0.00 0.01 3.42 -1.08 -1.26 -5.06 116.67 110.32 1tqz s ASP 112 Ca 0.11 -0.82 0.08 0.00 -0.52 0.00 0.00 52.55 51.40 1tqz s ASP 112 Cb 0.06 0.45 -0.23 0.00 -1.46 0.00 0.00 42.92 41.74 1tqz s ASP 112 CO 0.13 -0.91 0.87 0.08 0.52 0.00 0.00 175.17 175.86 1tqz h ARG 113 N 2.50 0.05 0.26 4.34 0.11 -1.88 -3.28 114.38 116.47 1tqz h ARG 113 Ca -0.31 -0.09 0.01 0.00 0.10 0.00 0.00 59.98 59.69 1tqz h ARG 113 Cb 1.23 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 1tqz h ARG 113 CO 0.47 0.78 -0.35 0.78 0.10 0.00 0.00 179.97 181.74 1tqz h GLY 114 N 2.97 -0.77 0.84 0.08 0.00 -1.98 -1.45 103.07 102.76 1tqz h GLY 114 Ca -0.20 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1tqz h GLY 114 CO 0.11 -0.28 0.04 -1.80 0.00 0.00 0.00 176.54 174.61 1tqz h ASP 115 N -0.67 0.24 -0.21 0.19 1.82 -2.00 -2.34 116.42 113.45 1tqz h ASP 115 Ca -0.00 -0.22 0.06 0.00 -0.39 0.00 0.00 57.03 56.48 1tqz h ASP 115 Cb 0.64 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1tqz h ASP 115 CO -0.12 0.39 0.41 0.00 -1.61 0.00 0.00 179.24 178.31 1tqz h ALA 116 N 0.85 1.74 0.18 -0.78 0.00 -1.59 -1.79 119.26 117.87 1tqz h ALA 116 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tqz h ALA 116 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tqz h ALA 116 CO -0.00 -0.52 -0.09 0.35 0.00 0.00 0.00 179.25 179.00 1tqz h PHE 117 N 0.00 -0.22 -0.83 0.00 3.57 -0.70 -2.66 116.94 116.09 1tqz h PHE 117 Ca 0.10 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.77 1tqz h PHE 117 Cb 0.92 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 39.62 1tqz h PHE 117 CO 0.00 0.06 0.36 0.22 -2.23 0.00 0.00 178.31 176.73 1tqz h ASP 118 N -1.00 0.35 0.69 0.41 3.58 -1.25 0.33 116.42 119.54 1tqz h ASP 118 Ca -0.02 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1tqz h ASP 118 Cb 0.39 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.53 1tqz h ASP 118 CO 0.04 0.09 -0.33 0.15 -2.88 0.00 0.00 179.24 176.31 1tqz h PHE 119 N 0.47 -0.86 -0.60 0.28 3.57 -1.59 -1.75 116.94 116.46 1tqz h PHE 119 Ca 0.48 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.08 1tqz h PHE 119 Cb 0.80 0.28 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 1tqz h PHE 119 CO -0.14 -0.53 -0.15 -0.91 -2.23 0.00 0.00 178.31 174.35 1tqz h ASN 120 N -1.15 -0.55 0.36 0.41 2.35 -1.09 0.34 115.58 116.25 1tqz h ASN 120 Ca -0.09 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1tqz h ASN 120 Cb 0.71 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 1tqz h ASN 120 CO 0.16 -0.20 -0.11 -0.37 -1.65 0.00 0.00 177.43 175.26 1tqz h VAL 121 N 0.00 0.55 0.09 2.81 -1.51 -0.98 -2.68 116.25 114.54 1tqz h VAL 121 Ca 0.29 -0.51 -0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1tqz h VAL 121 Cb 0.44 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1tqz h VAL 121 CO -0.62 0.11 -0.05 0.77 -1.23 0.00 0.00 177.57 176.56 1tqz h SER 122 N 0.00 -0.11 -0.81 4.19 4.64 0.59 -1.71 113.55 120.35 1tqz h SER 122 Ca -0.00 -0.40 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1tqz h SER 122 Cb 0.33 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 1tqz h SER 122 CO 0.01 0.37 0.53 0.25 -0.87 0.00 0.00 176.83 177.13 1tqz h LEU 123 N -0.62 0.86 0.31 5.97 6.46 -1.22 -1.98 115.31 125.09 1tqz h LEU 123 Ca -0.01 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1tqz h LEU 123 Cb 0.50 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1tqz h LEU 123 CO 0.02 0.59 -0.15 1.56 -0.62 0.00 0.00 178.44 179.85 1tqz h GLN 124 N 1.00 -0.40 -0.97 1.25 7.50 -1.48 -0.50 115.11 121.52 1tqz h GLN 124 Ca 0.32 0.03 0.18 0.00 0.50 0.00 0.00 58.65 59.67 1tqz h GLN 124 Cb 0.04 0.09 -0.10 0.00 0.05 0.00 0.00 27.48 27.55 1tqz h GLN 124 CO -0.09 -0.08 0.57 -0.44 -1.50 0.00 0.00 178.83 177.28 1tqz h ASP 125 N -0.74 0.73 0.11 1.46 3.32 -1.09 -0.41 116.42 119.79 1tqz h ASP 125 Ca -0.04 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1tqz h ASP 125 Cb 0.50 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1tqz h ASP 125 CO 0.07 0.27 -0.05 0.45 -1.72 0.00 0.00 179.24 178.26 1tqz h HIS 126 N 0.74 -0.13 0.00 4.55 3.86 -1.31 -3.41 115.15 119.45 1tqz h HIS 126 Ca 0.55 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1tqz h HIS 126 Cb 0.81 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1tqz h HIS 126 CO -0.03 0.32 0.00 0.34 0.86 0.00 0.00 177.93 179.42 1tqz n PHE 127 N -4.93 0.00 -3.30 2.45 -0.00 -0.20 -4.76 117.46 106.72 1tqz n PHE 127 Ca -0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.01 1tqz n PHE 127 Cb 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.68 1tqz n PHE 127 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 1tqz s LYS 128 N -0.55 4.03 -0.38 -4.13 0.00 -0.23 -5.03 119.74 113.46 1tqz s LYS 128 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 55.97 56.59 1tqz s LYS 128 Cb 0.00 -2.90 0.17 0.00 0.00 0.00 0.00 37.83 35.10 1tqz s LYS 128 CO 0.00 0.45 0.49 -0.46 0.00 0.00 0.00 175.35 175.83 1tqz s TRP 129 N -1.50 -0.99 0.19 1.78 -0.11 -1.26 -4.07 118.94 112.98 1tqz s TRP 129 Ca 0.40 -0.25 0.00 0.00 1.22 0.00 0.00 56.10 57.47 1tqz s TRP 129 Cb -0.15 -0.07 0.00 0.00 -1.50 0.00 0.00 33.47 31.75 1tqz s TRP 129 CO 0.20 -1.06 0.00 0.28 -4.62 0.00 0.00 176.95 171.74 1tqz n VAL 130 N 4.42 0.00 -0.78 5.86 0.31 -1.26 -4.92 118.33 121.96 1tqz n VAL 130 Ca 0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.24 1tqz n VAL 130 Cb 0.51 -0.16 0.08 0.00 -0.91 0.00 0.00 33.84 33.36 1tqz n VAL 130 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1tqz n LYS 131 N -2.94 1.98 -3.36 5.55 5.02 -1.26 -4.76 118.16 118.39 1tqz n LYS 131 Ca 0.00 -2.07 0.01 0.00 -2.02 0.00 0.00 58.31 54.22 1tqz n LYS 131 Cb 0.00 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 1tqz n LYS 131 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1tqz s GLN 132 N -2.35 0.54 0.00 1.97 -0.21 -1.26 -5.24 119.66 113.11 1tqz s GLN 132 Ca 0.40 1.12 0.00 0.00 0.02 0.00 0.00 55.36 56.91 1tqz s GLN 132 Cb 0.33 0.58 0.00 0.00 1.00 0.00 0.00 33.01 34.91 1tqz s GLN 132 CO 0.03 -0.46 0.00 -1.91 -2.12 0.00 0.00 175.29 170.83