#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 0.82 -4.82 2.46 4.32 -1.26 -0.92 117.00 117.60 3gtz n LEU 1 Ca 0.00 -0.41 -0.30 0.00 -0.02 0.00 0.00 56.01 55.28 3gtz n LEU 1 Cb 0.00 -0.40 -0.06 0.00 -1.62 0.00 0.00 43.42 41.34 3gtz n LEU 1 CO 0.00 0.20 -0.22 -0.55 -1.22 0.00 0.00 177.39 175.60 3gtz s SER 2 N -0.19 5.76 -0.24 -1.43 0.15 -1.26 -4.96 113.70 111.53 3gtz s SER 2 Ca 0.00 0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 3gtz s SER 2 Cb 0.00 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.66 3gtz s SER 2 CO 0.00 0.15 0.15 -0.63 1.20 0.00 0.00 173.24 174.11 3gtz s ILE 3 N -1.49 5.28 -0.10 6.45 1.01 -1.26 -4.56 121.20 126.52 3gtz s ILE 3 Ca 0.31 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.12 3gtz s ILE 3 Cb -0.12 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 3gtz s ILE 3 CO 0.24 0.35 -0.13 -0.69 0.00 0.00 0.00 174.94 174.71 3gtz s VAL 4 N 1.05 3.12 -0.14 2.92 1.01 -0.62 -4.99 120.40 122.75 3gtz s VAL 4 Ca 0.07 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3gtz s VAL 4 Cb -0.14 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3gtz s VAL 4 CO 0.04 0.55 -0.19 -0.13 0.00 0.00 0.00 175.10 175.37 3gtz s ARG 5 N -0.05 2.69 -0.17 2.72 0.52 -1.26 -0.70 118.95 122.69 3gtz s ARG 5 Ca -0.02 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.36 3gtz s ARG 5 Cb -0.14 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 3gtz s ARG 5 CO 0.04 -0.08 0.15 0.42 0.02 0.00 0.00 175.30 175.84 3gtz s ILE 6 N 1.00 5.43 -1.13 1.52 -1.09 -0.06 -4.33 121.20 122.54 3gtz s ILE 6 Ca -0.04 0.23 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 3gtz s ILE 6 Cb -0.15 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 3gtz s ILE 6 CO -0.04 0.49 0.82 -0.90 -1.23 0.00 0.00 174.94 174.08 3gtz n ASP 7 N 3.06 -5.41 -4.60 3.58 5.75 -1.26 -1.36 116.55 116.30 3gtz n ASP 7 Ca -0.17 -0.93 -0.43 0.00 -0.01 0.00 0.00 54.79 53.25 3gtz n ASP 7 Cb 0.53 -3.87 -0.02 0.00 -1.03 0.00 0.00 41.12 36.72 3gtz n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gtz s ALA 8 N -3.46 3.12 0.54 2.12 0.00 -1.26 -2.49 121.76 120.33 3gtz s ALA 8 Ca 0.45 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.05 3gtz s ALA 8 Cb -0.13 -3.92 0.05 0.00 0.00 0.00 0.00 23.12 19.12 3gtz s ALA 8 CO 0.83 -2.32 0.51 -1.21 0.00 0.00 0.00 175.76 173.57 3gtz s GLU 9 N 4.61 2.29 0.27 0.00 0.41 0.40 -4.99 118.70 121.70 3gtz s GLU 9 Ca 0.51 -1.88 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 3gtz s GLU 9 Cb -0.09 -2.27 0.54 0.00 -1.78 0.00 0.00 34.13 30.53 3gtz s GLU 9 CO 0.32 -0.65 1.82 -0.44 -0.49 0.00 0.00 175.26 175.81 3gtz h ASP 10 N 0.61 0.82 0.00 -0.19 3.32 -2.04 -3.31 116.42 115.63 3gtz h ASP 10 Ca -0.35 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3gtz h ASP 10 Cb 1.30 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3gtz h ASP 10 CO 0.53 0.42 -0.27 0.54 -1.72 0.00 0.00 179.24 178.74 3gtz n ARG 11 N -4.69 5.12 -3.59 3.56 1.74 -1.26 -5.06 116.66 112.48 3gtz n ARG 11 Ca 0.18 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.15 3gtz n ARG 11 Cb 0.37 -0.63 -0.04 0.00 -1.02 0.00 0.00 32.46 31.14 3gtz n ARG 11 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 3gtz s TRP 12 N -1.26 -0.27 0.10 -1.55 -2.14 -1.25 -5.16 118.94 107.41 3gtz s TRP 12 Ca 0.00 -0.02 0.08 0.00 2.66 0.00 0.00 56.10 58.81 3gtz s TRP 12 Cb 0.00 0.31 -0.04 0.00 -3.10 0.00 0.00 33.47 30.65 3gtz s TRP 12 CO 0.00 -0.73 -0.14 -1.12 -2.66 0.00 0.00 176.95 172.31 3gtz s SER 13 N -2.78 4.14 0.01 -2.66 0.01 -1.26 -0.45 113.70 110.72 3gtz s SER 13 Ca 0.02 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 3gtz s SER 13 Cb 0.01 -0.71 -0.33 0.00 0.21 0.00 0.00 66.02 65.20 3gtz s SER 13 CO -0.12 0.19 0.93 -0.78 0.41 0.00 0.00 173.24 173.87 3gtz h ASP 14 N 3.80 0.70 -3.76 2.44 3.58 -0.90 -3.46 116.42 118.81 3gtz h ASP 14 Ca -0.49 -0.83 -0.28 0.00 0.42 0.00 0.00 57.03 55.85 3gtz h ASP 14 Cb 1.17 -0.23 -0.29 0.00 1.72 0.00 0.00 39.33 41.70 3gtz h ASP 14 CO 0.49 1.66 -0.74 -0.69 -2.88 0.00 0.00 179.24 177.09 3gtz s VAL 15 N -2.60 0.18 -0.02 2.25 1.01 -0.92 -4.44 120.40 115.86 3gtz s VAL 15 Ca -0.10 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3gtz s VAL 15 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 3gtz s VAL 15 CO 0.91 0.07 -0.22 -0.69 0.00 0.00 0.00 175.10 175.17 3gtz s VAL 16 N 0.11 1.72 -0.08 2.92 1.01 -0.84 -0.88 120.40 124.36 3gtz s VAL 16 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3gtz s VAL 16 Cb -0.03 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3gtz s VAL 16 CO -0.00 0.49 -0.08 -0.63 0.00 0.00 0.00 175.10 174.87 3gtz s ILE 17 N -0.47 0.93 -0.19 2.22 1.01 0.12 -1.08 121.20 123.74 3gtz s ILE 17 Ca 0.07 -0.30 -0.23 0.00 0.00 0.00 0.00 60.65 60.19 3gtz s ILE 17 Cb -0.09 -0.92 0.06 0.00 0.01 0.00 0.00 42.46 41.52 3gtz s ILE 17 CO -0.01 0.33 0.62 -0.47 0.00 0.00 0.00 174.94 175.41 3gtz s TYR 18 N 1.18 -0.66 -1.47 3.97 5.04 0.44 -1.59 117.35 124.26 3gtz s TYR 18 Ca -0.05 1.51 -0.06 0.00 -2.44 0.00 0.00 57.07 56.02 3gtz s TYR 18 Cb -0.14 0.26 0.05 0.00 0.35 0.00 0.00 41.96 42.47 3gtz s TYR 18 CO -0.02 -0.38 0.64 -1.71 -1.34 0.00 0.00 175.55 172.74 3gtz n ASN 19 N 2.34 -1.82 -2.36 4.32 5.15 -0.09 -0.80 115.26 121.99 3gtz n ASN 19 Ca -0.15 -0.93 -0.20 0.00 -0.60 0.00 0.00 54.58 52.69 3gtz n ASN 19 Cb 0.56 -3.32 -0.01 0.00 -0.53 0.00 0.00 39.78 36.47 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 -2.91 -5.71 -4.01 1.20 4.13 -1.26 -4.85 115.26 101.84 3gtz n ASN 20 Ca -0.17 0.03 -0.13 0.00 1.68 0.00 0.00 54.58 55.99 3gtz n ASN 20 Cb 0.62 -4.78 -0.12 0.00 -1.54 0.00 0.00 39.78 33.96 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 -2.99 0.42 -0.03 3.41 2.01 0.02 -2.30 115.64 116.17 3gtz s THR 21 Ca 0.00 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3gtz s THR 21 Cb 0.00 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 72.06 3gtz s THR 21 CO 0.00 -0.25 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.39 3gtz s LEU 22 N -1.11 1.64 0.03 4.42 0.20 -0.16 -0.42 118.68 123.28 3gtz s LEU 22 Ca -0.07 -0.15 0.08 0.00 0.69 0.00 0.00 54.13 54.68 3gtz s LEU 22 Cb -0.07 -0.47 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 3gtz s LEU 22 CO 0.00 0.02 -0.23 0.26 -0.29 0.00 0.00 176.35 176.11 3gtz s TRP 23 N 0.43 2.05 -0.13 5.38 0.51 -0.24 -0.93 118.94 126.02 3gtz s TRP 23 Ca -0.06 -0.39 -0.30 0.00 -2.12 0.00 0.00 56.10 53.22 3gtz s TRP 23 Cb -0.10 -1.25 0.11 0.00 -0.81 0.00 0.00 33.47 31.42 3gtz s TRP 23 CO 0.00 0.07 0.90 -0.47 -0.51 0.00 0.00 176.95 176.95 3gtz s TYR 24 N -0.73 -0.46 -0.12 -1.98 5.04 -0.85 -1.98 117.35 116.27 3gtz s TYR 24 Ca 0.09 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 3gtz s TYR 24 Cb -0.09 0.44 0.02 0.00 0.35 0.00 0.00 41.96 42.68 3gtz s TYR 24 CO 0.01 -0.42 -0.11 0.99 -1.34 0.00 0.00 175.55 174.68 3gtz s THR 25 N -1.14 1.26 -0.09 4.34 2.01 -1.26 -0.90 115.64 119.86 3gtz s THR 25 Ca -0.04 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 3gtz s THR 25 Cb -0.00 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 3gtz s THR 25 CO 0.04 0.40 0.32 -0.83 -0.69 0.00 0.00 174.62 173.87 3gtz s GLY 26 N 1.51 2.31 0.13 4.40 0.00 0.14 -4.91 107.32 110.90 3gtz s GLY 26 Ca 0.03 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.44 3gtz s GLY 26 CO -0.08 0.20 -0.17 -1.34 0.00 0.00 0.00 173.10 171.71 3gtz s VAL 27 N -0.37 1.57 0.64 1.40 -7.23 -1.26 -1.04 120.40 114.10 3gtz s VAL 27 Ca 0.20 -1.70 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 3gtz s VAL 27 Cb -0.14 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 3gtz s VAL 27 CO 0.08 -0.27 1.20 -2.84 -0.31 0.00 0.00 175.10 172.95 3gtz s PRO 28 N -2.42 2.73 -0.23 4.82 0.02 -1.26 -4.87 135.00 133.79 3gtz s PRO 28 Ca 0.09 1.76 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 3gtz s PRO 28 Cb -0.07 -1.91 -0.17 0.00 0.02 0.00 0.00 34.50 32.38 3gtz s PRO 28 CO 0.04 -1.38 -0.03 0.39 -0.33 0.00 0.00 177.00 175.70 3gtz n GLU 29 N -1.98 0.59 -3.02 5.54 1.02 -1.26 -4.85 120.64 116.68 3gtz n GLU 29 Ca 0.13 0.41 -0.43 0.00 -0.02 0.00 0.00 57.16 57.25 3gtz n GLU 29 Cb 0.50 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 3gtz n GLU 29 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3gtz s ASN 30 N -7.11 6.29 0.31 1.62 3.84 -1.26 -4.92 114.94 113.71 3gtz s ASN 30 Ca -0.33 -0.58 0.15 0.00 0.21 0.00 0.00 52.86 52.31 3gtz s ASN 30 Cb 0.10 -2.35 0.44 0.00 -0.55 0.00 0.00 41.25 38.88 3gtz s ASN 30 CO 0.56 -1.00 1.63 -0.07 -2.79 0.00 0.00 177.10 175.43 3gtz h LEU 31 N 10.19 0.00 -0.24 3.21 3.38 -1.88 -2.79 115.31 127.18 3gtz h LEU 31 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3gtz h LEU 31 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gtz h LEU 31 CO 1.00 0.51 -0.17 0.47 0.09 0.00 0.00 178.44 180.34 3gtz n ASP 32 N -3.56 0.54 -4.78 -0.43 8.00 -1.26 -4.74 116.55 110.31 3gtz n ASP 32 Ca -0.00 -0.50 -0.34 0.00 0.71 0.00 0.00 54.79 54.65 3gtz n ASP 32 Cb 0.60 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.58 2.72 1.19 2.24 0.00 -1.05 -5.05 121.76 119.22 3gtz s ALA 33 Ca 0.25 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 3gtz s ALA 33 Cb 0.19 -3.31 0.28 0.00 0.00 0.00 0.00 23.12 20.29 3gtz s ALA 33 CO 0.51 -0.72 1.10 0.16 0.00 0.00 0.00 175.76 176.81 3gtz s ASP 34 N -2.07 1.01 0.30 0.00 3.84 -1.26 -4.78 116.67 113.72 3gtz s ASP 34 Ca 0.69 0.68 0.09 0.00 -0.00 0.00 0.00 52.55 54.02 3gtz s ASP 34 Cb -0.20 -0.97 0.48 0.00 -1.38 0.00 0.00 42.92 40.85 3gtz s ASP 34 CO 0.28 -4.07 1.70 0.00 -0.00 0.00 0.00 175.17 173.08 3gtz h ALA 35 N -2.55 1.13 -0.00 2.11 0.00 -1.95 -1.38 119.26 116.61 3gtz h ALA 35 Ca -0.46 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 3gtz h ALA 35 Cb 1.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gtz h ALA 35 CO 0.36 0.61 0.00 0.35 0.00 0.00 0.00 179.25 180.57 3gtz h PHE 36 N 0.10 0.01 -0.52 0.00 3.57 -1.93 0.04 116.94 118.21 3gtz h PHE 36 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3gtz h PHE 36 Cb 0.86 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3gtz h PHE 36 CO 0.01 0.23 0.33 1.49 -2.23 0.00 0.00 178.31 178.14 3gtz h GLU 37 N -0.22 0.66 -0.63 1.11 4.81 -1.90 -1.06 114.58 117.35 3gtz h GLU 37 Ca 0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3gtz h GLU 37 Cb 0.23 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3gtz h GLU 37 CO 0.00 0.43 0.05 1.96 -0.73 0.00 0.00 179.01 180.73 3gtz h GLN 38 N 0.68 1.07 0.01 1.92 4.20 -1.14 0.29 115.11 122.13 3gtz h GLN 38 Ca 0.20 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3gtz h GLN 38 Cb -0.05 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3gtz h GLN 38 CO -0.06 1.01 -0.00 1.15 -0.67 0.00 0.00 178.83 180.26 3gtz h THR 39 N 0.99 1.29 -0.69 -0.54 2.02 -0.83 -1.01 112.91 114.14 3gtz h THR 39 Ca 0.19 -0.89 0.06 0.00 0.77 0.00 0.00 66.41 66.55 3gtz h THR 39 Cb 0.49 1.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 3gtz h THR 39 CO 0.02 0.23 0.38 0.00 0.37 0.00 0.00 175.52 176.52 3gtz h ALA 40 N 0.60 0.93 -0.49 6.16 0.00 -1.04 -0.56 119.26 124.85 3gtz h ALA 40 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3gtz h ALA 40 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3gtz h ALA 40 CO 0.00 0.05 -0.09 -0.97 0.00 0.00 0.00 179.25 178.24 3gtz h ASN 41 N 0.69 0.88 0.11 0.00 -0.73 -0.95 -1.85 115.58 113.74 3gtz h ASN 41 Ca 0.31 -0.27 -0.18 0.00 1.87 0.00 0.00 56.30 58.04 3gtz h ASN 41 Cb 0.22 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 3gtz h ASN 41 CO -0.20 1.00 -0.64 0.74 -0.37 0.00 0.00 177.43 177.96 3gtz h THR 42 N 0.81 1.34 -0.39 -3.57 2.02 -0.48 -1.68 112.91 110.96 3gtz h THR 42 Ca 0.13 -1.96 -0.07 0.00 0.77 0.00 0.00 66.41 65.29 3gtz h THR 42 Cb 0.61 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3gtz h THR 42 CO 0.04 0.60 -0.04 -0.07 0.37 0.00 0.00 175.52 176.42 3gtz h LEU 43 N 0.37 0.61 -0.91 2.58 3.38 -1.02 -1.86 115.31 118.45 3gtz h LEU 43 Ca -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3gtz h LEU 43 Cb 1.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3gtz h LEU 43 CO 0.12 0.70 0.35 0.00 0.09 0.00 0.00 178.44 179.70 3gtz h ALA 44 N 1.37 1.14 -0.49 1.53 0.00 -0.96 -2.31 119.26 119.54 3gtz h ALA 44 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3gtz h ALA 44 Cb 0.43 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gtz h ALA 44 CO 0.02 0.64 0.12 1.96 0.00 0.00 0.00 179.25 181.99 3gtz h GLN 45 N 1.12 0.78 -0.03 0.00 4.20 -0.93 -2.57 115.11 117.68 3gtz h GLN 45 Ca 0.27 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.82 3gtz h GLN 45 Cb 0.15 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3gtz h GLN 45 CO -0.03 0.76 -0.16 0.82 -0.67 0.00 0.00 178.83 179.54 3gtz h ILE 46 N 0.66 0.60 -0.45 2.54 2.04 -1.24 -0.12 117.51 121.54 3gtz h ILE 46 Ca 0.15 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.10 3gtz h ILE 46 Cb 0.33 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.91 3gtz h ILE 46 CO 0.00 0.00 -0.27 0.44 0.00 0.00 0.00 178.15 178.32 3gtz h ASP 47 N -0.25 -0.91 -0.37 1.72 3.32 -1.35 0.19 116.42 118.76 3gtz h ASP 47 Ca 0.06 0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.34 3gtz h ASP 47 Cb 0.34 0.46 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3gtz h ASP 47 CO -0.18 -0.28 0.13 0.00 -1.72 0.00 0.00 179.24 177.19 3gtz h ALA 48 N 1.01 0.43 -0.23 3.45 0.00 -1.03 0.12 119.26 123.00 3gtz h ALA 48 Ca 0.20 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3gtz h ALA 48 Cb 0.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gtz h ALA 48 CO -0.55 -0.26 0.10 0.28 0.00 0.00 0.00 179.25 178.81 3gtz h VAL 49 N 0.28 0.96 -0.59 0.00 2.07 -0.57 -1.72 116.25 116.68 3gtz h VAL 49 Ca 0.17 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3gtz h VAL 49 Cb 0.15 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3gtz h VAL 49 CO -0.17 0.04 0.15 -0.07 0.02 0.00 0.00 177.57 177.54 3gtz h LEU 50 N 0.21 0.86 0.00 2.57 3.38 0.31 -3.16 115.31 119.49 3gtz h LEU 50 Ca 0.10 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3gtz h LEU 50 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3gtz h LEU 50 CO -0.09 0.83 -0.62 1.05 0.09 0.00 0.00 178.44 179.70 3gtz h GLU 51 N 0.88 0.00 -0.06 1.13 4.11 -0.65 0.34 114.58 120.34 3gtz h GLU 51 Ca 0.19 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.64 3gtz h GLU 51 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gtz h GLU 51 CO -0.00 0.43 0.04 -0.22 0.07 0.00 0.00 179.01 179.33 3gtz h LYS 52 N 0.00 0.00 -0.58 1.06 1.63 -1.28 -0.00 116.57 117.40 3gtz h LYS 52 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3gtz h LYS 52 Cb 1.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 3gtz h LYS 52 CO 0.06 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.10 3gtz n GLN 53 N -4.45 2.40 -0.99 1.90 1.13 -1.10 -4.94 117.38 111.34 3gtz n GLN 53 Ca -0.02 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.87 3gtz n GLN 53 Cb 0.15 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 1.47 0.57 0.00 1.08 0.00 -0.01 -5.03 105.19 103.27 3gtz n GLY 54 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.06 0.00 -3.16 1.61 2.88 0.12 -4.95 113.62 110.06 3gtz n SER 55 Ca 0.00 -0.92 -0.10 0.00 -1.33 0.00 0.00 58.87 56.52 3gtz n SER 55 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.00 0.16 0.25 -3.46 1.04 -1.26 -3.39 113.70 106.04 3gtz s SER 56 Ca 0.00 -1.15 0.24 0.00 0.48 0.00 0.00 55.95 55.53 3gtz s SER 56 Cb 0.00 0.79 0.94 0.00 0.10 0.00 0.00 66.02 67.84 3gtz s SER 56 CO 0.00 -1.54 1.73 2.29 0.98 0.00 0.00 173.24 176.70 3gtz n LYS 57 N -0.52 0.22 0.06 4.02 2.85 -1.26 -1.74 118.16 121.79 3gtz n LYS 57 Ca -0.06 0.37 0.11 0.00 -1.05 0.00 0.00 58.31 57.68 3gtz n LYS 57 Cb 0.60 -1.86 0.44 0.00 -0.65 0.00 0.00 35.03 33.56 3gtz n LYS 57 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3gtz n SER 58 N -2.26 0.36 -1.03 -5.58 7.64 -1.26 -3.40 113.62 108.09 3gtz n SER 58 Ca 0.03 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.56 3gtz n SER 58 Cb 0.29 -0.65 0.25 0.00 -1.01 0.00 0.00 64.21 63.09 3gtz n SER 58 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gtz n ARG 59 N -1.88 3.18 -2.87 1.43 5.12 -0.71 -4.87 116.66 116.07 3gtz n ARG 59 Ca 0.04 -2.57 -0.40 0.00 -1.93 0.00 0.00 57.85 52.99 3gtz n ARG 59 Cb 0.26 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 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 -1.83 4.34 -0.26 0.55 1.01 -1.22 -1.43 121.20 122.37 3gtz s ILE 60 Ca 0.38 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 62.80 3gtz s ILE 60 Cb 0.26 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 38.35 3gtz s ILE 60 CO 0.17 0.46 -0.21 0.18 0.00 0.00 0.00 174.94 175.54 3gtz n LEU 61 N 1.92 2.22 -3.80 2.97 4.77 0.01 -4.05 117.00 121.04 3gtz n LEU 61 Ca -0.03 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3gtz n LEU 61 Cb 0.48 -0.88 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 3gtz n LEU 61 CO 0.48 0.64 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.41 3gtz s ASP 62 N -7.16 -0.20 -0.03 -1.43 2.15 -0.98 -2.09 116.67 106.92 3gtz s ASP 62 Ca -0.36 0.39 0.02 0.00 0.43 0.00 0.00 52.55 53.03 3gtz s ASP 62 Cb 0.12 0.39 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 3gtz s ASP 62 CO 0.55 -0.07 -0.06 0.00 -0.17 0.00 0.00 175.17 175.42 3gtz s ALA 63 N 0.13 0.64 -0.14 3.66 0.00 0.01 -2.00 121.76 124.06 3gtz s ALA 63 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3gtz s ALA 63 Cb -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3gtz s ALA 63 CO 0.00 0.06 -0.18 0.99 0.00 0.00 0.00 175.76 176.63 3gtz s THR 64 N 0.47 1.78 -0.23 0.00 2.01 -0.44 -1.91 115.64 117.32 3gtz s THR 64 Ca -0.06 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 3gtz s THR 64 Cb -0.10 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3gtz s THR 64 CO 0.00 0.49 0.05 -0.63 -0.69 0.00 0.00 174.62 173.85 3gtz s ILE 65 N 1.16 4.25 -0.21 1.82 1.01 0.50 -1.15 121.20 128.58 3gtz s ILE 65 Ca -0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 3gtz s ILE 65 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3gtz s ILE 65 CO -0.07 0.37 0.06 -0.36 0.00 0.00 0.00 174.94 174.94 3gtz s PHE 66 N 1.37 3.15 -0.03 3.97 0.08 -0.31 -1.43 117.98 124.77 3gtz s PHE 66 Ca 0.05 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.95 3gtz s PHE 66 Cb -0.15 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 3gtz s PHE 66 CO 0.03 -0.11 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.43 3gtz s LEU 67 N 0.97 2.97 0.50 -0.37 1.43 -0.55 -1.28 118.68 122.35 3gtz s LEU 67 Ca 0.04 -0.15 0.29 0.00 -1.03 0.00 0.00 54.13 53.28 3gtz s LEU 67 Cb -0.14 -1.66 0.98 0.00 0.03 0.00 0.00 46.19 45.40 3gtz s LEU 67 CO 0.03 0.33 1.84 0.77 0.23 0.00 0.00 176.35 179.55 3gtz h SER 68 N 5.03 0.00 -3.62 2.29 4.64 -1.45 0.21 113.55 120.65 3gtz h SER 68 Ca -0.48 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.61 3gtz h SER 68 Cb 1.16 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 3gtz h SER 68 CO 0.52 0.03 -0.62 -0.62 -0.87 0.00 0.00 176.83 175.27 3gtz s ASP 69 N -5.92 -0.09 0.44 4.97 -1.08 -1.26 -4.66 116.67 109.08 3gtz s ASP 69 Ca 0.03 0.22 0.23 0.00 -0.52 0.00 0.00 52.55 52.51 3gtz s ASP 69 Cb 0.08 0.17 0.99 0.00 -1.46 0.00 0.00 42.92 42.69 3gtz s ASP 69 CO 0.60 -0.09 1.87 0.50 0.52 0.00 0.00 175.17 178.57 3gtz h LYS 70 N 6.60 0.00 0.00 4.34 3.64 -1.99 -2.51 116.57 126.66 3gtz h LYS 70 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3gtz h LYS 70 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3gtz h LYS 70 CO 0.44 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 3gtz n ALA 71 N -2.26 1.49 1.20 5.00 0.00 -1.26 -2.88 120.51 121.79 3gtz n ALA 71 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3gtz n ALA 71 Cb 0.40 -1.30 0.26 0.00 0.00 0.00 0.00 19.45 18.81 3gtz n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gtz n ASP 72 N -2.01 1.68 -0.27 0.00 8.00 -0.94 -4.45 116.55 118.56 3gtz n ASP 72 Ca 0.02 -1.34 0.09 0.00 0.71 0.00 0.00 54.79 54.26 3gtz n ASP 72 Cb 0.16 0.18 0.23 0.00 -0.02 0.00 0.00 41.12 41.67 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 2.28 0.40 -0.20 1.24 0.04 -1.70 -2.01 116.94 117.00 3gtz h PHE 73 Ca 0.00 0.04 -0.21 0.00 2.80 0.00 0.00 57.97 60.60 3gtz h PHE 73 Cb 0.64 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.75 3gtz h PHE 73 CO 0.00 -0.08 -0.71 0.00 -0.60 0.00 0.00 178.31 176.91 3gtz h ALA 74 N 1.66 0.35 -0.73 2.45 0.00 -1.86 -1.73 119.26 119.40 3gtz h ALA 74 Ca 0.48 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gtz h ALA 74 Cb 0.86 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3gtz h ALA 74 CO -0.53 0.68 0.37 0.00 0.00 0.00 0.00 179.25 179.77 3gtz h ALA 75 N 0.59 0.94 0.00 0.00 0.00 -1.74 -2.01 119.26 117.04 3gtz h ALA 75 Ca -0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3gtz h ALA 75 Cb 1.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3gtz h ALA 75 CO 0.15 0.49 -0.74 0.00 0.00 0.00 0.00 179.25 179.14 3gtz h MET 76 N 1.02 0.00 -0.36 0.00 -0.00 -1.29 -2.75 114.93 111.56 3gtz h MET 76 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.86 3gtz h MET 76 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 3gtz h MET 76 CO -0.04 0.74 -0.18 -0.91 -0.00 0.00 0.00 176.91 176.53 3gtz h ASN 77 N 0.00 0.67 -0.37 -0.10 2.35 -1.19 -0.88 115.58 116.06 3gtz h ASN 77 Ca -0.01 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 3gtz h ASN 77 Cb 1.32 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3gtz h ASN 77 CO 0.10 0.86 0.14 0.50 -1.65 0.00 0.00 177.43 177.37 3gtz h LYS 78 N 0.60 0.55 -0.14 0.81 3.64 -1.27 0.27 116.57 121.03 3gtz h LYS 78 Ca 0.10 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3gtz h LYS 78 Cb 0.64 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3gtz h LYS 78 CO 0.04 0.54 0.04 0.00 -2.27 0.00 0.00 179.45 177.81 3gtz h ALA 79 N 0.98 0.19 -0.51 5.00 0.00 -1.41 -2.43 119.26 121.08 3gtz h ALA 79 Ca 0.12 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3gtz h ALA 79 Cb 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3gtz h ALA 79 CO -0.01 -0.19 0.19 2.35 0.00 0.00 0.00 179.25 181.59 3gtz h TRP 80 N 0.05 0.33 0.00 0.00 2.91 -1.06 -2.41 115.95 115.76 3gtz h TRP 80 Ca 0.05 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 3gtz h TRP 80 Cb 0.23 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 3gtz h TRP 80 CO 0.00 0.10 -0.21 -0.44 -1.03 0.00 0.00 178.44 176.86 3gtz h ASP 81 N 0.37 0.00 1.79 2.65 3.32 -0.27 0.10 116.42 124.38 3gtz h ASP 81 Ca 0.25 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gtz h ASP 81 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gtz h ASP 81 CO -0.25 0.21 -0.01 0.00 -1.72 0.00 0.00 179.24 177.48 3gtz h ALA 82 N 1.79 1.00 0.00 3.45 0.00 -0.94 -3.37 119.26 121.18 3gtz h ALA 82 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3gtz h ALA 82 Cb 0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3gtz h ALA 82 CO 0.03 0.01 -2.03 1.87 0.00 0.00 0.00 179.25 179.13 3gtz n TRP 83 N -3.10 0.00 -1.58 0.00 -0.00 -0.77 -5.05 117.44 106.94 3gtz n TRP 83 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.13 3gtz n TRP 83 Cb 0.49 -0.68 0.02 0.00 -0.00 0.00 0.00 31.31 31.14 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 -3.38 2.63 -3.22 5.87 3.14 0.28 -4.93 118.33 118.72 3gtz n VAL 84 Ca -0.34 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.12 3gtz n VAL 84 Cb 0.80 -1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 32.46 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 -1.39 4.97 0.17 1.55 1.01 -1.26 -5.01 120.40 120.43 3gtz s VAL 85 Ca 0.66 0.04 -0.34 0.00 0.00 0.00 0.00 61.98 62.35 3gtz s VAL 85 Cb -0.52 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 31.64 3gtz s VAL 85 CO 0.55 -0.42 1.40 0.00 0.00 0.00 0.00 175.10 176.63 3gtz n ALA 86 N 5.89 0.37 -0.19 5.51 0.00 -1.26 -0.80 120.51 130.04 3gtz n ALA 86 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3gtz n ALA 86 Cb 0.48 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 2.62 2.22 0.89 0.00 0.00 -1.26 -4.77 105.19 104.89 3gtz n GLY 87 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.86 1.61 -0.00 0.02 -5.09 115.22 106.90 3gtz n HIS 88 Ca 0.00 -0.77 -0.35 0.00 -0.00 0.00 0.00 57.72 56.61 3gtz n HIS 88 Cb 0.00 -0.16 -0.07 0.00 -0.00 0.00 0.00 29.99 29.76 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 -1.30 3.16 0.85 -1.41 0.00 -1.06 -4.66 121.76 117.34 3gtz s ALA 89 Ca 0.29 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 3gtz s ALA 89 Cb 0.30 -3.09 0.12 0.00 0.00 0.00 0.00 23.12 20.45 3gtz s ALA 89 CO -0.09 0.18 1.21 -1.25 0.00 0.00 0.00 175.76 175.82 3gtz s PRO 90 N -2.67 1.52 0.34 0.00 0.04 -1.26 -5.01 135.00 127.97 3gtz s PRO 90 Ca 0.55 -0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.18 3gtz s PRO 90 Cb -0.13 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3gtz s PRO 90 CO 0.18 -1.85 1.54 0.08 0.04 0.00 0.00 177.00 176.99 3gtz s VAL 91 N -3.65 2.04 0.07 -0.36 1.01 -0.89 -4.88 120.40 113.73 3gtz s VAL 91 Ca 0.66 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.72 3gtz s VAL 91 Cb -0.08 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3gtz s VAL 91 CO 0.50 0.01 -0.13 -0.60 0.00 0.00 0.00 175.10 174.88 3gtz s ARG 92 N -1.42 0.77 -0.26 2.72 3.52 -1.26 -0.81 118.95 122.20 3gtz s ARG 92 Ca 0.57 -0.92 -0.09 0.00 -0.13 0.00 0.00 55.73 55.16 3gtz s ARG 92 Cb -0.47 -0.74 0.11 0.00 -1.56 0.00 0.00 34.95 32.29 3gtz s ARG 92 CO 0.57 0.16 0.57 0.00 -0.81 0.00 0.00 175.30 175.80 3gtz s THR 94 N 2.72 2.11 0.05 0.00 2.01 -1.26 -0.37 115.64 120.90 3gtz s THR 94 Ca -0.05 -0.99 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 3gtz s THR 94 Cb -0.12 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3gtz s THR 94 CO -0.17 0.55 -0.04 0.68 -0.69 0.00 0.00 174.62 174.96 3gtz s VAL 95 N 0.55 0.27 -0.18 3.82 -7.23 -0.52 -4.98 120.40 112.13 3gtz s VAL 95 Ca -0.13 -1.63 -0.08 0.00 -1.81 0.00 0.00 61.98 58.33 3gtz s VAL 95 Cb -0.17 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3gtz s VAL 95 CO 0.04 -0.87 0.09 -1.58 -0.31 0.00 0.00 175.10 172.47 3gtz s GLN 96 N -3.36 3.95 0.24 4.82 -0.44 -1.26 -1.48 119.66 122.13 3gtz s GLN 96 Ca 0.03 -0.28 -0.16 0.00 -2.50 0.00 0.00 55.36 52.44 3gtz s GLN 96 Cb 0.04 -3.26 0.01 0.00 -1.64 0.00 0.00 33.01 28.15 3gtz s GLN 96 CO -0.07 0.36 0.56 0.00 0.50 0.00 0.00 175.29 176.64 3gtz s ALA 97 N 0.15 -0.71 0.15 1.58 0.00 0.06 -4.90 121.76 118.10 3gtz s ALA 97 Ca 0.07 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3gtz s ALA 97 Cb -0.12 0.95 -0.07 0.00 0.00 0.00 0.00 23.12 23.88 3gtz s ALA 97 CO -0.00 -0.90 0.93 0.20 0.00 0.00 0.00 175.76 175.98 3gtz s GLY 98 N -2.95 3.02 0.21 0.00 0.00 -1.26 -3.84 107.32 102.49 3gtz s GLY 98 Ca 0.16 0.55 0.09 0.00 0.00 0.00 0.00 44.72 45.52 3gtz s GLY 98 CO 0.06 1.30 -0.04 1.08 0.00 0.00 0.00 173.10 175.50 3gtz s LEU 99 N -0.47 3.13 0.16 0.66 1.02 -1.26 -5.05 118.68 116.87 3gtz s LEU 99 Ca 0.44 -0.57 -0.15 0.00 0.02 0.00 0.00 54.13 53.87 3gtz s LEU 99 Cb -0.24 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.26 3gtz s LEU 99 CO 0.30 0.06 1.78 -0.03 0.02 0.00 0.00 176.35 178.48 3gtz h MET 100 N 2.47 0.66 -5.27 1.70 1.85 -1.96 -3.40 114.93 110.97 3gtz h MET 100 Ca -0.46 -0.07 -0.60 0.00 -0.61 0.00 0.00 59.70 57.96 3gtz h MET 100 Cb 1.22 -0.13 -0.12 0.00 0.43 0.00 0.00 31.60 33.00 3gtz h MET 100 CO 0.57 0.50 -0.48 1.21 -0.40 0.00 0.00 176.91 178.31 3gtz s ASN 101 N -5.74 6.22 0.00 1.39 3.84 -1.26 -4.99 114.94 114.40 3gtz s ASN 101 Ca -0.13 0.24 0.19 0.00 0.21 0.00 0.00 52.86 53.37 3gtz s ASN 101 Cb 0.11 -2.10 0.82 0.00 -0.55 0.00 0.00 41.25 39.54 3gtz s ASN 101 CO 0.75 0.16 1.62 -0.81 -2.79 0.00 0.00 177.10 176.02 3gtz n PRO 102 N 3.63 0.00 0.00 0.43 -0.04 -1.26 -1.99 135.00 135.77 3gtz n PRO 102 Ca -0.15 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 3gtz n PRO 102 Cb 0.52 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.01 3gtz n PRO 102 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gtz n LYS 103 N -1.50 0.61 -2.80 0.54 4.01 -1.26 -4.88 118.16 112.88 3gtz n LYS 103 Ca 0.05 -0.25 -0.42 0.00 -0.51 0.00 0.00 58.31 57.17 3gtz n LYS 103 Cb 0.23 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.22 3gtz n LYS 103 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3gtz s TYR 104 N -2.56 3.37 -0.19 2.13 2.02 -0.84 -4.78 117.35 116.50 3gtz s TYR 104 Ca 0.25 1.32 0.21 0.00 -0.37 0.00 0.00 57.07 58.48 3gtz s TYR 104 Cb 0.20 -3.12 -0.06 0.00 -0.40 0.00 0.00 41.96 38.58 3gtz s TYR 104 CO 0.51 -0.36 0.95 1.63 -1.57 0.00 0.00 175.55 176.71 3gtz n LYS 105 N 5.76 0.61 -3.80 -0.62 4.76 -1.26 -4.53 118.16 119.08 3gtz n LYS 105 Ca 0.07 0.14 -0.11 0.00 -2.87 0.00 0.00 58.31 55.55 3gtz n LYS 105 Cb 0.48 -1.81 -0.08 0.00 -1.84 0.00 0.00 35.03 31.78 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 -3.22 0.09 -0.02 -0.18 0.11 -1.26 -1.79 120.40 114.13 3gtz s VAL 106 Ca -0.02 -0.76 -0.15 0.00 -2.93 0.00 0.00 61.98 58.12 3gtz s VAL 106 Cb 0.09 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 3gtz s VAL 106 CO 0.80 -0.42 0.33 -0.70 -3.33 0.00 0.00 175.10 171.78 3gtz s GLU 107 N -2.47 0.67 -0.12 1.54 2.12 -0.40 -4.31 118.70 115.72 3gtz s GLU 107 Ca -0.06 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.12 3gtz s GLU 107 Cb -0.01 0.30 0.05 0.00 0.26 0.00 0.00 34.13 34.73 3gtz s GLU 107 CO -0.03 -0.18 0.10 0.42 -0.54 0.00 0.00 175.26 175.03 3gtz s ILE 108 N -1.21 -0.14 -0.09 -3.70 1.01 -0.21 -1.16 121.20 115.71 3gtz s ILE 108 Ca -0.12 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 3gtz s ILE 108 Cb -0.05 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3gtz s ILE 108 CO 0.04 -0.06 0.14 -1.59 0.00 0.00 0.00 174.94 173.48 3gtz s LYS 109 N 2.19 3.41 -0.05 2.79 -2.85 -0.30 0.28 119.74 125.20 3gtz s LYS 109 Ca 0.04 -0.20 0.01 0.00 -1.00 0.00 0.00 55.97 54.81 3gtz s LYS 109 Cb -0.14 -3.14 0.02 0.00 -2.06 0.00 0.00 37.83 32.52 3gtz s LYS 109 CO -0.07 0.75 -0.04 0.42 0.10 0.00 0.00 175.35 176.51 3gtz s ILE 110 N -1.10 0.52 -0.13 3.79 -1.09 -0.08 -1.33 121.20 121.78 3gtz s ILE 110 Ca 0.18 -0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 3gtz s ILE 110 Cb -0.12 -0.57 -0.02 0.00 -1.58 0.00 0.00 42.46 40.17 3gtz s ILE 110 CO 0.08 0.23 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.24 3gtz s VAL 111 N 1.10 3.39 0.12 2.92 1.01 -0.85 -2.00 120.40 126.10 3gtz s VAL 111 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3gtz s VAL 111 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3gtz s VAL 111 CO -0.01 0.53 -0.01 0.00 0.00 0.00 0.00 175.10 175.60 3gtz s ALA 112 N 0.17 1.02 0.07 5.51 0.00 -0.10 -0.81 121.76 127.61 3gtz s ALA 112 Ca -0.05 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 3gtz s ALA 112 Cb -0.15 0.44 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 3gtz s ALA 112 CO 0.04 -0.33 0.48 0.00 0.00 0.00 0.00 175.76 175.95 3gtz s ALA 113 N -3.76 3.65 0.00 0.00 0.00 -0.52 -0.99 121.76 120.14 3gtz s ALA 113 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3gtz s ALA 113 Cb 0.06 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3gtz s ALA 113 CO -0.01 0.48 0.00 1.55 0.00 0.00 0.00 175.76 177.77