#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtz n LEU 1 N 0.00 1.13 -4.60 -3.43 4.32 -1.26 0.53 117.00 113.69 3gtz n LEU 1 Ca 0.00 -0.56 -0.35 0.00 -0.02 0.00 0.00 56.01 55.07 3gtz n LEU 1 Cb 0.00 -0.16 -0.10 0.00 -1.62 0.00 0.00 43.42 41.54 3gtz n LEU 1 CO 0.00 0.27 -0.24 -0.94 -1.22 0.00 0.00 177.39 175.26 3gtz s SER 2 N -0.96 5.64 0.16 -1.43 1.04 -1.26 -4.95 113.70 111.94 3gtz s SER 2 Ca 0.13 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.29 3gtz s SER 2 Cb 0.07 -1.99 -0.07 0.00 0.10 0.00 0.00 66.02 64.13 3gtz s SER 2 CO 0.09 0.10 1.00 -0.63 0.98 0.00 0.00 173.24 174.78 3gtz s ILE 3 N 0.83 4.22 -0.12 -1.02 1.01 -1.26 -4.75 121.20 120.10 3gtz s ILE 3 Ca 0.05 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.62 3gtz s ILE 3 Cb -0.13 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3gtz s ILE 3 CO 0.02 0.34 -0.13 -0.69 0.00 0.00 0.00 174.94 174.48 3gtz s VAL 4 N -0.29 3.06 -0.02 2.92 1.01 -0.39 -5.00 120.40 121.69 3gtz s VAL 4 Ca 0.47 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3gtz s VAL 4 Cb -0.26 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3gtz s VAL 4 CO 0.32 0.53 -0.21 -0.13 0.00 0.00 0.00 175.10 175.61 3gtz s ARG 5 N 0.26 1.83 -0.19 2.72 0.52 -1.26 -1.00 118.95 121.83 3gtz s ARG 5 Ca -0.09 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3gtz s ARG 5 Cb -0.15 -1.71 0.06 0.00 0.52 0.00 0.00 34.95 33.66 3gtz s ARG 5 CO 0.05 0.42 0.01 0.42 0.02 0.00 0.00 175.30 176.23 3gtz s ILE 6 N -0.39 0.71 -0.13 1.52 1.01 -0.50 -4.98 121.20 118.43 3gtz s ILE 6 Ca 0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 3gtz s ILE 6 Cb -0.09 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3gtz s ILE 6 CO 0.00 -0.15 0.01 -1.81 0.00 0.00 0.00 174.94 172.99 3gtz s ASP 7 N 1.78 5.22 -0.03 3.58 1.11 -1.26 -1.65 116.67 125.42 3gtz s ASP 7 Ca -0.01 0.05 0.05 0.00 0.18 0.00 0.00 52.55 52.82 3gtz s ASP 7 Cb -0.17 -1.70 -0.01 0.00 1.07 0.00 0.00 42.92 42.11 3gtz s ASP 7 CO -0.07 0.27 -0.17 0.00 1.18 0.00 0.00 175.17 176.37 3gtz s ALA 8 N -0.21 1.44 0.42 5.23 0.00 -1.26 -5.04 121.76 122.34 3gtz s ALA 8 Ca 0.05 -0.70 0.10 0.00 0.00 0.00 0.00 51.96 51.41 3gtz s ALA 8 Cb -0.12 -0.42 0.91 0.00 0.00 0.00 0.00 23.12 23.49 3gtz s ALA 8 CO 0.02 0.31 2.01 0.93 0.00 0.00 0.00 175.76 179.04 3gtz h GLU 9 N 5.95 0.29 -0.79 0.00 5.08 -1.99 -2.97 114.58 120.16 3gtz h GLU 9 Ca -0.35 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 3gtz h GLU 9 Cb 1.16 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3gtz h GLU 9 CO 0.48 0.29 0.06 -0.40 -1.00 0.00 0.00 179.01 178.44 3gtz n ASP 10 N -4.40 3.80 -3.71 1.42 3.85 -1.26 -4.89 116.55 111.36 3gtz n ASP 10 Ca 0.00 -2.62 -0.12 0.00 -0.71 0.00 0.00 54.79 51.33 3gtz n ASP 10 Cb 0.16 -0.63 -0.13 0.00 -1.35 0.00 0.00 41.12 39.17 3gtz n ASP 10 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3gtz s ARG 11 N -2.05 0.21 0.02 0.11 3.52 -1.12 -5.06 118.95 114.58 3gtz s ARG 11 Ca 0.33 0.59 -0.20 0.00 -0.13 0.00 0.00 55.73 56.31 3gtz s ARG 11 Cb 0.26 -0.10 -0.18 0.00 -1.56 0.00 0.00 34.95 33.36 3gtz s ARG 11 CO 0.09 -0.18 1.21 2.35 -0.81 0.00 0.00 175.30 177.96 3gtz h TRP 12 N 7.37 0.50 -3.09 5.12 7.01 -1.90 -3.43 115.95 127.53 3gtz h TRP 12 Ca -0.36 -0.21 -0.60 0.00 2.11 0.00 0.00 58.89 59.83 3gtz h TRP 12 Cb 1.15 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 28.08 3gtz h TRP 12 CO 0.35 0.95 -0.22 0.45 -2.79 0.00 0.00 178.44 177.18 3gtz s SER 13 N -6.42 6.71 1.02 2.65 0.15 -1.26 -5.06 113.70 111.49 3gtz s SER 13 Ca -0.14 0.87 -0.13 0.00 0.70 0.00 0.00 55.95 57.25 3gtz s SER 13 Cb 0.04 -2.21 0.20 0.00 -1.71 0.00 0.00 66.02 62.34 3gtz s SER 13 CO 0.78 0.22 1.10 -1.81 1.20 0.00 0.00 173.24 174.73 3gtz s ASP 14 N -1.54 2.45 -0.06 5.45 -0.00 -1.26 -4.74 116.67 116.97 3gtz s ASP 14 Ca 0.30 1.06 0.05 0.00 -0.00 0.00 0.00 52.55 53.96 3gtz s ASP 14 Cb -0.15 -1.66 -0.02 0.00 -0.00 0.00 0.00 42.92 41.09 3gtz s ASP 14 CO 0.17 -3.22 -0.20 -0.69 -0.00 0.00 0.00 175.17 171.22 3gtz s VAL 15 N -3.02 2.54 -0.07 -1.27 1.01 -0.66 -4.57 120.40 114.36 3gtz s VAL 15 Ca 0.66 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3gtz s VAL 15 Cb -0.17 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3gtz s VAL 15 CO 0.57 0.57 -0.21 -0.69 0.00 0.00 0.00 175.10 175.34 3gtz s VAL 16 N -0.36 1.77 -0.08 2.92 1.01 -0.90 -1.41 120.40 123.35 3gtz s VAL 16 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3gtz s VAL 16 Cb -0.12 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3gtz s VAL 16 CO 0.02 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.81 3gtz s ILE 17 N 0.19 1.60 -0.28 2.22 1.01 -0.17 -1.15 121.20 124.63 3gtz s ILE 17 Ca -0.11 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 3gtz s ILE 17 Cb -0.15 -1.41 0.08 0.00 0.01 0.00 0.00 42.46 40.99 3gtz s ILE 17 CO 0.05 0.46 0.74 -0.47 0.00 0.00 0.00 174.94 175.72 3gtz s TYR 18 N 0.53 -0.89 -1.32 3.97 5.04 0.05 -1.26 117.35 123.48 3gtz s TYR 18 Ca -0.16 1.94 -0.02 0.00 -2.44 0.00 0.00 57.07 56.39 3gtz s TYR 18 Cb -0.17 0.46 0.01 0.00 0.35 0.00 0.00 41.96 42.61 3gtz s TYR 18 CO 0.06 -0.44 0.82 -1.71 -1.34 0.00 0.00 175.55 172.94 3gtz n ASN 19 N 3.50 -2.04 -2.01 4.32 5.15 0.19 -1.57 115.26 122.79 3gtz n ASN 19 Ca -0.17 -0.76 -0.18 0.00 -0.60 0.00 0.00 54.58 52.87 3gtz n ASN 19 Cb 0.57 -4.30 -0.04 0.00 -0.53 0.00 0.00 39.78 35.48 3gtz n ASN 19 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtz n ASN 20 N -3.04 -5.08 -4.09 1.20 4.13 -1.26 -4.88 115.26 102.24 3gtz n ASN 20 Ca -0.24 0.23 -0.16 0.00 1.68 0.00 0.00 54.58 56.09 3gtz n ASN 20 Cb 0.65 -4.38 -0.13 0.00 -1.54 0.00 0.00 39.78 34.38 3gtz n ASN 20 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3gtz s THR 21 N -2.75 0.78 -0.03 3.41 2.01 -0.61 -0.62 115.64 117.83 3gtz s THR 21 Ca 0.00 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.08 3gtz s THR 21 Cb 0.00 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 3gtz s THR 21 CO 0.00 -0.16 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.42 3gtz s LEU 22 N -1.24 1.90 0.05 4.42 0.20 0.16 -0.77 118.68 123.41 3gtz s LEU 22 Ca -0.03 -0.26 0.09 0.00 0.69 0.00 0.00 54.13 54.62 3gtz s LEU 22 Cb -0.08 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.91 3gtz s LEU 22 CO 0.01 0.13 -0.26 0.26 -0.29 0.00 0.00 176.35 176.20 3gtz s TRP 23 N -0.01 2.34 -0.23 5.38 0.51 -0.30 -0.56 118.94 126.07 3gtz s TRP 23 Ca -0.01 -0.40 -0.27 0.00 -2.12 0.00 0.00 56.10 53.31 3gtz s TRP 23 Cb -0.09 -1.38 0.11 0.00 -0.81 0.00 0.00 33.47 31.31 3gtz s TRP 23 CO 0.01 0.16 0.97 -0.47 -0.51 0.00 0.00 176.95 177.10 3gtz s TYR 24 N -0.85 -0.49 -0.16 -1.98 5.04 -0.97 -2.12 117.35 115.82 3gtz s TYR 24 Ca 0.12 1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 3gtz s TYR 24 Cb -0.10 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.58 3gtz s TYR 24 CO 0.03 -0.30 -0.12 0.99 -1.34 0.00 0.00 175.55 174.81 3gtz s THR 25 N -0.21 2.94 -0.13 4.34 2.01 -1.26 -0.48 115.64 122.86 3gtz s THR 25 Ca 0.01 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 3gtz s THR 25 Cb -0.03 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3gtz s THR 25 CO -0.02 0.50 0.45 -0.83 -0.69 0.00 0.00 174.62 174.03 3gtz s GLY 26 N 0.85 2.36 -0.01 4.40 0.00 1.00 -4.47 107.32 111.46 3gtz s GLY 26 Ca -0.04 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.52 3gtz s GLY 26 CO 0.00 0.74 -0.20 -1.34 0.00 0.00 0.00 173.10 172.30 3gtz s VAL 27 N 0.64 1.57 0.47 1.40 -7.23 -1.26 -1.40 120.40 114.58 3gtz s VAL 27 Ca 0.25 -0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 59.31 3gtz s VAL 27 Cb -0.15 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 3gtz s VAL 27 CO 0.09 0.41 0.79 -2.65 -0.31 0.00 0.00 175.10 173.43 3gtz n PRO 28 N 2.49 0.92 -0.06 4.82 -0.02 -1.26 -4.92 135.00 136.97 3gtz n PRO 28 Ca -0.15 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.63 3gtz n PRO 28 Cb 0.53 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.06 3gtz n PRO 28 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gtz n GLU 29 N 0.10 1.36 -3.65 -0.52 -0.58 -1.26 -4.85 120.64 111.24 3gtz n GLU 29 Ca 0.11 -0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.43 3gtz n GLU 29 Cb 0.41 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 3gtz n GLU 29 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3gtz s ASN 30 N -4.54 5.51 0.42 1.62 0.02 -1.26 -4.97 114.94 111.74 3gtz s ASN 30 Ca -0.07 -2.68 0.09 0.00 -1.02 0.00 0.00 52.86 49.18 3gtz s ASN 30 Cb 0.06 -1.92 0.91 0.00 0.02 0.00 0.00 41.25 40.31 3gtz s ASN 30 CO 0.61 -0.44 2.04 -0.07 0.02 0.00 0.00 177.10 179.25 3gtz h LEU 31 N 7.35 0.45 -0.18 0.60 3.38 -1.89 -1.85 115.31 123.16 3gtz h LEU 31 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gtz h LEU 31 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gtz h LEU 31 CO 0.73 0.31 -0.20 0.47 0.09 0.00 0.00 178.44 179.84 3gtz n ASP 32 N -4.48 0.48 -4.78 -0.43 8.00 -1.26 -4.73 116.55 109.35 3gtz n ASP 32 Ca 0.05 -0.37 -0.33 0.00 0.71 0.00 0.00 54.79 54.85 3gtz n ASP 32 Cb 0.15 -0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3gtz n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtz s ALA 33 N -2.68 2.57 1.06 2.24 0.00 -0.70 -5.06 121.76 119.20 3gtz s ALA 33 Ca 0.22 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 3gtz s ALA 33 Cb 0.19 -3.28 0.24 0.00 0.00 0.00 0.00 23.12 20.27 3gtz s ALA 33 CO 0.54 -1.13 1.27 0.16 0.00 0.00 0.00 175.76 176.60 3gtz s ASP 34 N -2.74 2.26 0.23 0.00 3.84 -1.26 -4.81 116.67 114.19 3gtz s ASP 34 Ca 0.65 0.32 -0.04 0.00 -0.00 0.00 0.00 52.55 53.48 3gtz s ASP 34 Cb -0.18 -0.38 0.23 0.00 -1.38 0.00 0.00 42.92 41.21 3gtz s ASP 34 CO 0.41 -3.27 1.69 0.00 -0.00 0.00 0.00 175.17 174.00 3gtz h ALA 35 N -2.01 0.97 -0.00 2.11 0.00 -1.96 -1.48 119.26 116.89 3gtz h ALA 35 Ca -0.44 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 3gtz h ALA 35 Cb 1.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gtz h ALA 35 CO 0.34 0.61 0.00 0.35 0.00 0.00 0.00 179.25 180.55 3gtz h PHE 36 N 0.75 0.00 -0.59 0.00 3.57 -1.93 -1.15 116.94 117.59 3gtz h PHE 36 Ca 0.13 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3gtz h PHE 36 Cb 0.59 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 3gtz h PHE 36 CO 0.03 0.26 0.30 1.49 -2.23 0.00 0.00 178.31 178.16 3gtz h GLU 37 N -0.26 0.55 -0.32 1.11 4.22 -1.90 0.10 114.58 118.08 3gtz h GLU 37 Ca 0.00 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 3gtz h GLU 37 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3gtz h GLU 37 CO 0.00 0.36 -0.27 1.96 -2.18 0.00 0.00 179.01 178.88 3gtz h GLN 38 N 0.56 0.65 0.18 1.92 4.20 -1.16 0.18 115.11 121.64 3gtz h GLN 38 Ca 0.27 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3gtz h GLN 38 Cb 0.19 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3gtz h GLN 38 CO -0.19 0.85 -0.09 1.15 -0.67 0.00 0.00 178.83 179.89 3gtz h THR 39 N 0.56 0.88 -0.89 -0.54 2.02 -0.92 -0.26 112.91 113.76 3gtz h THR 39 Ca 0.07 -0.95 0.09 0.00 0.77 0.00 0.00 66.41 66.39 3gtz h THR 39 Cb 0.75 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 3gtz h THR 39 CO 0.06 0.20 0.54 0.00 0.37 0.00 0.00 175.52 176.69 3gtz h ALA 40 N -0.14 1.29 0.06 6.16 0.00 -0.73 0.32 119.26 126.22 3gtz h ALA 40 Ca -0.03 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 3gtz h ALA 40 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gtz h ALA 40 CO 0.04 0.19 -1.10 -0.97 0.00 0.00 0.00 179.25 177.41 3gtz h ASN 41 N 0.91 0.23 -0.46 0.00 -1.24 -0.70 -2.32 115.58 112.00 3gtz h ASN 41 Ca 0.42 -0.24 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 3gtz h ASN 41 Cb 0.35 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 3gtz h ASN 41 CO -0.23 1.17 -0.15 0.74 -1.29 0.00 0.00 177.43 177.66 3gtz h THR 42 N 0.05 1.27 -1.01 -3.57 2.02 -0.68 -1.00 112.91 109.99 3gtz h THR 42 Ca -0.07 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 65.89 3gtz h THR 42 Cb 1.83 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 69.31 3gtz h THR 42 CO 0.17 0.44 0.65 -0.07 0.37 0.00 0.00 175.52 177.07 3gtz h LEU 43 N 0.76 1.03 -0.32 2.58 3.38 -0.98 -1.60 115.31 120.16 3gtz h LEU 43 Ca 0.11 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3gtz h LEU 43 Cb 0.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3gtz h LEU 43 CO 0.05 0.65 0.09 0.00 0.09 0.00 0.00 178.44 179.32 3gtz h ALA 44 N 1.46 0.42 -0.75 1.53 0.00 -1.09 -1.77 119.26 119.06 3gtz h ALA 44 Ca 0.44 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.36 3gtz h ALA 44 Cb 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 3gtz h ALA 44 CO -0.18 0.07 0.10 0.37 0.00 0.00 0.00 179.25 179.61 3gtz h GLN 45 N 0.36 0.18 -0.31 0.00 4.15 -0.93 -2.33 115.11 116.23 3gtz h GLN 45 Ca 0.10 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 3gtz h GLN 45 Cb 0.27 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3gtz h GLN 45 CO -0.00 0.12 0.08 0.82 -1.93 0.00 0.00 178.83 177.92 3gtz h ILE 46 N 0.18 1.21 -0.45 2.39 2.04 -1.07 -0.85 117.51 120.96 3gtz h ILE 46 Ca 0.42 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3gtz h ILE 46 Cb 0.75 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 3gtz h ILE 46 CO -0.59 0.23 0.11 0.44 0.00 0.00 0.00 178.15 178.34 3gtz h ASP 47 N 0.33 0.05 -0.42 1.72 3.32 -0.90 0.37 116.42 120.89 3gtz h ASP 47 Ca 0.10 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3gtz h ASP 47 Cb 0.27 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3gtz h ASP 47 CO -0.00 0.06 0.02 0.00 -1.72 0.00 0.00 179.24 177.60 3gtz h ALA 48 N 1.33 0.56 -0.38 3.45 0.00 -1.13 -0.74 119.26 122.36 3gtz h ALA 48 Ca 0.22 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gtz h ALA 48 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gtz h ALA 48 CO -0.27 0.33 0.24 0.28 0.00 0.00 0.00 179.25 179.83 3gtz h VAL 49 N 0.57 1.08 -0.53 0.00 2.07 -1.02 -1.82 116.25 116.60 3gtz h VAL 49 Ca 0.12 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3gtz h VAL 49 Cb 0.46 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3gtz h VAL 49 CO 0.02 0.09 0.26 -0.07 0.02 0.00 0.00 177.57 177.89 3gtz h LEU 50 N 0.50 0.69 -0.60 2.57 3.38 -0.54 -3.06 115.31 118.25 3gtz h LEU 50 Ca 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3gtz h LEU 50 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3gtz h LEU 50 CO -0.04 0.62 0.28 -0.33 0.09 0.00 0.00 178.44 179.06 3gtz h GLU 51 N 0.71 0.88 0.00 1.13 5.08 -0.98 -0.32 114.58 121.08 3gtz h GLU 51 Ca 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gtz h GLU 51 Cb 0.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3gtz h GLU 51 CO -0.02 0.71 0.00 0.87 -1.00 0.00 0.00 179.01 179.57 3gtz h LYS 52 N 0.83 0.00 -0.24 2.33 1.57 -1.22 0.15 116.57 119.99 3gtz h LYS 52 Ca 0.21 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3gtz h LYS 52 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3gtz h LYS 52 CO -0.02 0.00 -0.21 1.04 -0.57 0.00 0.00 179.45 179.68 3gtz n GLN 53 N -2.47 1.77 0.00 3.15 1.13 -0.87 -4.98 117.38 115.11 3gtz n GLN 53 Ca -0.01 -3.22 0.00 0.00 -1.94 0.00 0.00 57.00 51.83 3gtz n GLN 53 Cb 0.07 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.67 3gtz n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gtz n GLY 54 N -1.12 1.86 1.92 1.08 0.00 0.04 -4.98 105.19 103.99 3gtz n GLY 54 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 3gtz n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtz n SER 55 N 1.06 -2.40 -3.68 1.61 2.88 -0.18 -4.81 113.62 108.10 3gtz n SER 55 Ca 0.00 -0.70 -0.05 0.00 -1.33 0.00 0.00 58.87 56.78 3gtz n SER 55 Cb 0.00 -0.57 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 3gtz n SER 55 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3gtz s SER 56 N -2.93 -0.17 0.60 -3.46 1.04 -1.26 -2.82 113.70 104.69 3gtz s SER 56 Ca 0.40 -0.58 0.37 0.00 0.48 0.00 0.00 55.95 56.62 3gtz s SER 56 Cb -0.05 0.61 1.87 0.00 0.10 0.00 0.00 66.02 68.56 3gtz s SER 56 CO 0.32 -1.15 2.19 0.07 0.98 0.00 0.00 173.24 175.64 3gtz h LYS 57 N 2.00 0.00 0.00 4.02 2.10 -1.92 0.32 116.57 123.08 3gtz h LYS 57 Ca -0.23 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 3gtz h LYS 57 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3gtz h LYS 57 CO 0.27 0.03 -0.07 0.77 -2.00 0.00 0.00 179.45 178.44 3gtz h SER 58 N 0.00 0.00 -0.45 7.07 0.02 -1.96 -3.25 113.55 114.98 3gtz h SER 58 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3gtz h SER 58 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3gtz h SER 58 CO 0.00 0.07 0.01 0.54 -1.14 0.00 0.00 176.83 176.31 3gtz n ARG 59 N -3.53 4.00 -2.74 3.45 5.12 0.11 -4.88 116.66 118.18 3gtz n ARG 59 Ca -0.02 -3.03 -0.41 0.00 -1.93 0.00 0.00 57.85 52.45 3gtz n ARG 59 Cb 0.19 -2.09 -0.04 0.00 -1.16 0.00 0.00 32.46 29.37 3gtz n ARG 59 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gtz s ILE 60 N -2.82 4.65 -0.18 0.55 1.01 -1.23 -1.09 121.20 122.10 3gtz s ILE 60 Ca 0.49 2.04 -0.14 0.00 0.00 0.00 0.00 60.65 63.05 3gtz s ILE 60 Cb 0.39 -4.31 -0.22 0.00 0.01 0.00 0.00 42.46 38.33 3gtz s ILE 60 CO 0.13 0.26 0.23 0.18 0.00 0.00 0.00 174.94 175.73 3gtz n LEU 61 N 3.20 2.26 -3.75 2.97 4.77 0.74 -4.01 117.00 123.17 3gtz n LEU 61 Ca 0.03 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 3gtz n LEU 61 Cb 0.50 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 3gtz n LEU 61 CO 0.51 0.58 0.04 -0.62 -1.33 0.00 0.00 177.39 176.57 3gtz s ASP 62 N -6.97 -0.38 -0.04 -1.43 2.15 -0.99 -1.41 116.67 107.60 3gtz s ASP 62 Ca -0.27 0.74 0.01 0.00 0.43 0.00 0.00 52.55 53.45 3gtz s ASP 62 Cb 0.07 0.75 0.02 0.00 -0.30 0.00 0.00 42.92 43.46 3gtz s ASP 62 CO 0.66 -0.13 -0.02 0.00 -0.17 0.00 0.00 175.17 175.52 3gtz s ALA 63 N 0.19 0.49 -0.29 3.66 0.00 0.18 -1.73 121.76 124.27 3gtz s ALA 63 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 3gtz s ALA 63 Cb -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3gtz s ALA 63 CO 0.01 -0.08 0.02 0.99 0.00 0.00 0.00 175.76 176.69 3gtz s THR 64 N 1.06 3.33 -0.38 0.00 2.01 0.11 -0.58 115.64 121.20 3gtz s THR 64 Ca -0.09 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 3gtz s THR 64 Cb -0.14 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.60 3gtz s THR 64 CO -0.01 0.05 0.42 -0.63 -0.69 0.00 0.00 174.62 173.75 3gtz s ILE 65 N 1.37 5.10 -0.20 1.82 1.01 0.18 -0.70 121.20 129.79 3gtz s ILE 65 Ca -0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 3gtz s ILE 65 Cb -0.18 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3gtz s ILE 65 CO -0.01 -0.27 0.48 -0.36 0.00 0.00 0.00 174.94 174.79 3gtz s PHE 66 N 2.14 3.38 -0.07 3.97 0.08 -0.13 -1.38 117.98 125.96 3gtz s PHE 66 Ca 0.13 0.73 0.01 0.00 0.12 0.00 0.00 56.93 57.92 3gtz s PHE 66 Cb -0.17 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 3gtz s PHE 66 CO 0.13 -0.07 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.58 3gtz s LEU 67 N 1.50 3.03 0.38 -0.37 1.43 0.25 -1.75 118.68 123.15 3gtz s LEU 67 Ca 0.23 -0.09 0.19 0.00 -1.03 0.00 0.00 54.13 53.43 3gtz s LEU 67 Cb -0.15 -1.65 0.65 0.00 0.03 0.00 0.00 46.19 45.06 3gtz s LEU 67 CO 0.09 0.33 1.71 0.77 0.23 0.00 0.00 176.35 179.49 3gtz h SER 68 N 5.46 0.00 -3.50 2.29 4.64 -1.59 0.42 113.55 121.29 3gtz h SER 68 Ca -0.45 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.65 3gtz h SER 68 Cb 1.17 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 3gtz h SER 68 CO 0.53 0.36 -0.55 -0.62 -0.87 0.00 0.00 176.83 175.68 3gtz s ASP 69 N -6.39 -0.17 0.58 4.97 -1.08 -1.26 -4.61 116.67 108.71 3gtz s ASP 69 Ca 0.01 0.37 0.27 0.00 -0.52 0.00 0.00 52.55 52.68 3gtz s ASP 69 Cb 0.10 0.29 1.68 0.00 -1.46 0.00 0.00 42.92 43.53 3gtz s ASP 69 CO 0.68 -0.13 2.20 0.11 0.52 0.00 0.00 175.17 178.55 3gtz h LYS 70 N 6.90 0.00 0.00 4.34 1.57 -1.98 -2.31 116.57 125.09 3gtz h LYS 70 Ca -0.38 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3gtz h LYS 70 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3gtz h LYS 70 CO 0.41 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 179.23 3gtz h ALA 71 N 1.94 1.09 -0.21 3.86 0.00 -2.00 -2.79 119.26 121.14 3gtz h ALA 71 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gtz h ALA 71 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gtz h ALA 71 CO -0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 3gtz n ASP 72 N -3.29 1.81 -0.12 0.00 8.00 -0.87 -4.39 116.55 117.69 3gtz n ASP 72 Ca -0.01 -1.77 -0.06 0.00 0.71 0.00 0.00 54.79 53.66 3gtz n ASP 72 Cb 0.24 -0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 3gtz n ASP 72 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3gtz h PHE 73 N 2.32 0.33 -0.52 1.24 0.04 -1.66 -2.32 116.94 116.36 3gtz h PHE 73 Ca 0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3gtz h PHE 73 Cb 0.51 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 3gtz h PHE 73 CO 0.14 0.16 0.34 0.00 -0.60 0.00 0.00 178.31 178.34 3gtz h ALA 74 N 1.22 0.66 -0.68 2.45 0.00 -1.85 -1.31 119.26 119.75 3gtz h ALA 74 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3gtz h ALA 74 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gtz h ALA 74 CO -0.14 0.08 0.17 0.00 0.00 0.00 0.00 179.25 179.36 3gtz h ALA 75 N 1.20 1.00 -0.09 0.00 0.00 -1.82 -1.41 119.26 118.15 3gtz h ALA 75 Ca 0.20 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3gtz h ALA 75 Cb -0.05 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gtz h ALA 75 CO -0.06 0.65 -0.82 0.00 0.00 0.00 0.00 179.25 179.02 3gtz h MET 76 N 1.03 0.60 -0.53 0.00 -0.00 -1.12 -2.38 114.93 112.53 3gtz h MET 76 Ca 0.22 -0.53 0.02 0.00 -0.00 0.00 0.00 59.70 59.41 3gtz h MET 76 Cb 0.36 0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.05 3gtz h MET 76 CO 0.00 1.15 0.35 -0.91 -0.00 0.00 0.00 176.91 177.50 3gtz h ASN 77 N 0.39 0.56 -0.40 -0.10 2.35 -1.15 -0.52 115.58 116.72 3gtz h ASN 77 Ca -0.06 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3gtz h ASN 77 Cb 1.44 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 3gtz h ASN 77 CO 0.16 0.40 -0.18 0.50 -1.65 0.00 0.00 177.43 176.65 3gtz h LYS 78 N 0.66 0.83 0.08 0.81 3.64 -0.99 0.13 116.57 121.72 3gtz h LYS 78 Ca 0.20 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3gtz h LYS 78 Cb 0.01 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3gtz h LYS 78 CO -0.05 0.99 -0.04 0.00 -2.27 0.00 0.00 179.45 178.08 3gtz h ALA 79 N 0.82 -0.10 -0.74 5.00 0.00 -1.20 -2.76 119.26 120.27 3gtz h ALA 79 Ca 0.09 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.94 3gtz h ALA 79 Cb 0.74 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 3gtz h ALA 79 CO 0.06 -0.38 0.32 2.35 0.00 0.00 0.00 179.25 181.60 3gtz h TRP 80 N -0.46 0.57 0.00 0.00 2.91 -1.09 -0.99 115.95 116.88 3gtz h TRP 80 Ca -0.01 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 3gtz h TRP 80 Cb 0.40 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 3gtz h TRP 80 CO 0.04 0.13 -0.26 -0.44 -1.03 0.00 0.00 178.44 176.88 3gtz h ASP 81 N 0.51 0.00 1.70 2.65 3.32 -0.69 0.55 116.42 124.47 3gtz h ASP 81 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3gtz h ASP 81 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3gtz h ASP 81 CO -0.35 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 3gtz h ALA 82 N 1.74 1.00 0.00 3.45 0.00 -0.89 -3.38 119.26 121.18 3gtz h ALA 82 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3gtz h ALA 82 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3gtz h ALA 82 CO 0.03 0.00 -2.19 1.87 0.00 0.00 0.00 179.25 178.97 3gtz n TRP 83 N -2.69 0.00 -1.69 0.00 -0.00 -0.84 -5.04 117.44 107.18 3gtz n TRP 83 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.12 3gtz n TRP 83 Cb 0.47 -0.79 -0.00 0.00 -0.00 0.00 0.00 31.31 30.99 3gtz n TRP 83 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3gtz n VAL 84 N -3.30 2.15 -2.92 5.87 3.14 0.13 -4.92 118.33 118.47 3gtz n VAL 84 Ca -0.38 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.07 3gtz n VAL 84 Cb 0.87 -1.51 -0.05 0.00 -1.06 0.00 0.00 33.84 32.09 3gtz n VAL 84 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3gtz s VAL 85 N -1.13 4.60 0.13 1.55 1.01 -1.26 -4.99 120.40 120.31 3gtz s VAL 85 Ca 0.57 0.56 -0.35 0.00 0.00 0.00 0.00 61.98 62.77 3gtz s VAL 85 Cb -0.56 -4.35 -0.16 0.00 0.00 0.00 0.00 36.38 31.31 3gtz s VAL 85 CO 0.61 -0.73 1.37 0.00 0.00 0.00 0.00 175.10 176.35 3gtz n ALA 86 N 6.83 -0.21 -0.05 5.51 0.00 -1.26 -0.92 120.51 130.42 3gtz n ALA 86 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3gtz n ALA 86 Cb 0.48 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3gtz n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtz n GLY 87 N 2.60 2.48 0.70 0.00 0.00 -1.26 -4.77 105.19 104.95 3gtz n GLY 87 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3gtz n GLY 87 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gtz n HIS 88 N -2.00 0.00 -2.44 1.61 -0.00 -0.10 -5.09 115.22 107.20 3gtz n HIS 88 Ca 0.00 -0.89 -0.37 0.00 -0.00 0.00 0.00 57.72 56.47 3gtz n HIS 88 Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.99 29.79 3gtz n HIS 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gtz s ALA 89 N -1.79 3.04 0.80 -1.41 0.00 -1.05 -4.76 121.76 116.59 3gtz s ALA 89 Ca 0.30 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 3gtz s ALA 89 Cb 0.30 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 20.18 3gtz s ALA 89 CO -0.06 -0.38 1.11 -1.25 0.00 0.00 0.00 175.76 175.18 3gtz s PRO 90 N -2.59 2.06 0.40 0.00 0.04 -1.26 -5.00 135.00 128.66 3gtz s PRO 90 Ca 0.60 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.93 3gtz s PRO 90 Cb -0.24 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3gtz s PRO 90 CO 0.30 -1.61 1.25 0.08 0.04 0.00 0.00 177.00 177.06 3gtz s VAL 91 N -3.22 2.81 -0.08 -0.36 1.01 -0.50 -4.89 120.40 115.18 3gtz s VAL 91 Ca 0.61 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 3gtz s VAL 91 Cb -0.14 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3gtz s VAL 91 CO 0.54 0.10 -0.01 -0.60 0.00 0.00 0.00 175.10 175.12 3gtz s ARG 92 N -2.21 0.76 -0.12 2.72 3.52 -1.26 -0.65 118.95 121.71 3gtz s ARG 92 Ca 0.56 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 3gtz s ARG 92 Cb -0.36 -1.06 -0.01 0.00 -1.56 0.00 0.00 34.95 31.97 3gtz s ARG 92 CO 0.46 -0.28 -0.16 0.00 -0.81 0.00 0.00 175.30 174.50 3gtz s THR 94 N 0.39 1.05 0.02 0.00 2.01 -1.26 0.52 115.64 118.38 3gtz s THR 94 Ca -0.13 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.33 3gtz s THR 94 Cb -0.16 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 3gtz s THR 94 CO 0.06 0.13 -0.12 0.68 -0.69 0.00 0.00 174.62 174.68 3gtz s VAL 95 N 1.66 0.91 -0.09 3.82 -7.23 -0.48 -4.98 120.40 114.01 3gtz s VAL 95 Ca 0.01 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.13 3gtz s VAL 95 Cb -0.15 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 3gtz s VAL 95 CO -0.08 0.03 0.83 -1.58 -0.31 0.00 0.00 175.10 174.00 3gtz s GLN 96 N -0.86 4.42 0.21 4.82 -0.44 -1.26 -0.58 119.66 125.97 3gtz s GLN 96 Ca 0.01 1.09 -0.18 0.00 -2.50 0.00 0.00 55.36 53.78 3gtz s GLN 96 Cb -0.07 -3.50 0.03 0.00 -1.64 0.00 0.00 33.01 27.83 3gtz s GLN 96 CO 0.01 -0.12 0.56 0.00 0.50 0.00 0.00 175.29 176.23 3gtz s ALA 97 N 1.39 -1.01 0.08 1.58 0.00 0.15 -4.88 121.76 119.07 3gtz s ALA 97 Ca 0.42 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3gtz s ALA 97 Cb -0.18 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 3gtz s ALA 97 CO 0.19 -0.84 1.15 0.20 0.00 0.00 0.00 175.76 176.46 3gtz s GLY 98 N -2.87 2.57 0.31 0.00 0.00 -1.26 -3.65 107.32 102.41 3gtz s GLY 98 Ca 0.09 0.81 0.06 0.00 0.00 0.00 0.00 44.72 45.68 3gtz s GLY 98 CO -0.02 1.91 0.41 1.08 0.00 0.00 0.00 173.10 176.49 3gtz s LEU 99 N 0.73 4.02 0.48 0.66 1.02 -1.26 -5.02 118.68 119.31 3gtz s LEU 99 Ca 0.56 -0.15 0.27 0.00 0.02 0.00 0.00 54.13 54.83 3gtz s LEU 99 Cb -0.28 -2.72 1.09 0.00 0.02 0.00 0.00 46.19 44.30 3gtz s LEU 99 CO 0.30 -0.32 1.89 0.00 0.02 0.00 0.00 176.35 178.25 3gtz h MET 100 N 1.02 0.00 -5.52 1.70 -0.00 -1.96 -3.41 114.93 106.76 3gtz h MET 100 Ca -0.47 0.00 -0.63 0.00 -0.00 0.00 0.00 59.70 58.59 3gtz h MET 100 Cb 1.25 0.00 -0.32 0.00 -0.00 0.00 0.00 31.60 32.53 3gtz h MET 100 CO 0.56 0.15 -0.86 1.21 -0.00 0.00 0.00 176.91 177.96 3gtz s ASN 101 N -6.04 2.68 0.31 -0.10 3.84 -1.26 -5.02 114.94 109.35 3gtz s ASN 101 Ca 0.01 -0.46 0.25 0.00 0.21 0.00 0.00 52.86 52.87 3gtz s ASN 101 Cb 0.10 -0.89 1.07 0.00 -0.55 0.00 0.00 41.25 40.97 3gtz s ASN 101 CO 0.60 0.18 1.76 1.55 -2.79 0.00 0.00 177.10 178.41 3gtz h PRO 102 N 6.34 0.00 0.00 0.43 0.13 -2.03 -1.51 132.00 135.37 3gtz h PRO 102 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3gtz h PRO 102 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gtz h PRO 102 CO 0.47 0.00 -0.49 1.63 -0.23 0.00 0.00 178.00 179.38 3gtz n LYS 103 N -2.39 0.13 -2.16 0.86 5.02 -1.26 -4.87 118.16 113.49 3gtz n LYS 103 Ca 0.02 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 3gtz n LYS 103 Cb 0.23 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3gtz n LYS 103 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gtz s TYR 104 N -3.07 2.65 -0.73 2.13 2.02 -0.57 -4.82 117.35 114.96 3gtz s TYR 104 Ca 0.09 0.66 0.23 0.00 -0.37 0.00 0.00 57.07 57.68 3gtz s TYR 104 Cb 0.16 -3.74 0.12 0.00 -0.40 0.00 0.00 41.96 38.10 3gtz s TYR 104 CO 0.69 -2.83 1.10 1.63 -1.57 0.00 0.00 175.55 174.57 3gtz n LYS 105 N 5.78 0.20 -3.54 -0.62 4.76 -1.26 -4.64 118.16 118.84 3gtz n LYS 105 Ca 0.14 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.42 3gtz n LYS 105 Cb 0.43 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 3gtz n LYS 105 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3gtz s VAL 106 N -3.14 0.01 -0.17 -0.18 0.11 -1.26 -2.78 120.40 112.99 3gtz s VAL 106 Ca 0.06 -0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.88 3gtz s VAL 106 Cb 0.15 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 34.09 3gtz s VAL 106 CO 0.79 -0.04 0.46 -0.70 -3.33 0.00 0.00 175.10 172.27 3gtz s GLU 107 N -1.67 0.52 -0.19 1.54 2.12 -0.72 -4.33 118.70 115.96 3gtz s GLU 107 Ca -0.09 0.66 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 3gtz s GLU 107 Cb -0.01 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.67 3gtz s GLU 107 CO 0.05 -0.07 -0.00 0.42 -0.54 0.00 0.00 175.26 175.12 3gtz s ILE 108 N 0.38 0.86 0.03 -3.70 1.01 -0.50 -0.95 121.20 118.33 3gtz s ILE 108 Ca -0.01 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 3gtz s ILE 108 Cb -0.04 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.13 3gtz s ILE 108 CO -0.01 -0.11 0.61 -1.59 0.00 0.00 0.00 174.94 173.84 3gtz s LYS 109 N 1.71 4.32 -0.02 2.79 0.00 0.12 -0.00 119.74 128.66 3gtz s LYS 109 Ca -0.02 0.78 0.05 0.00 0.00 0.00 0.00 55.97 56.78 3gtz s LYS 109 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 37.83 34.33 3gtz s LYS 109 CO -0.07 0.43 -0.16 0.42 0.00 0.00 0.00 175.35 175.97 3gtz s ILE 110 N -0.44 1.31 -0.08 3.79 -1.09 0.37 -0.71 121.20 124.35 3gtz s ILE 110 Ca 0.31 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3gtz s ILE 110 Cb -0.19 -1.10 0.01 0.00 -1.58 0.00 0.00 42.46 39.61 3gtz s ILE 110 CO 0.18 0.37 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.45 3gtz s VAL 111 N -0.30 1.22 0.05 2.92 1.01 -0.70 -2.29 120.40 122.31 3gtz s VAL 111 Ca 0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3gtz s VAL 111 Cb -0.07 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3gtz s VAL 111 CO -0.00 0.38 0.02 0.00 0.00 0.00 0.00 175.10 175.50 3gtz s ALA 112 N 0.89 0.26 0.15 5.51 0.00 0.28 -0.19 121.76 128.67 3gtz s ALA 112 Ca -0.10 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 3gtz s ALA 112 Cb -0.15 0.28 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 3gtz s ALA 112 CO 0.01 -0.36 0.71 0.00 0.00 0.00 0.00 175.76 176.12 3gtz s ALA 113 N -3.40 3.48 0.00 0.00 0.00 -0.25 0.36 121.76 121.95 3gtz s ALA 113 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3gtz s ALA 113 Cb 0.04 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3gtz s ALA 113 CO -0.08 0.33 0.41 1.55 0.00 0.00 0.00 175.76 177.96