#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s n SER 35 N 0.00 4.08 0.00 6.43 7.64 -1.26 -4.51 113.62 126.01 3g4s n SER 35 Ca 0.00 -3.49 0.13 0.00 1.01 0.00 0.00 58.87 56.53 3g4s n SER 35 Cb 0.00 -0.83 0.70 0.00 -1.01 0.00 0.00 64.21 63.07 3g4s n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g4s n GLY 36 N -0.97 -1.06 0.03 0.23 0.00 -1.26 -2.55 105.19 99.61 3g4s n GLY 36 Ca 0.55 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.56 3g4s n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g4s n ARG 37 N -1.20 0.11 0.25 1.61 1.85 -1.26 -3.63 116.66 114.38 3g4s n ARG 37 Ca 0.15 0.06 0.15 0.00 -1.00 0.00 0.00 57.85 57.20 3g4s n ARG 37 Cb 0.17 -1.59 0.47 0.00 -1.05 0.00 0.00 32.46 30.46 3g4s n ARG 37 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3g4s h PHE 38 N 0.00 0.00 0.00 2.89 0.05 -1.85 -3.49 116.94 114.54 3g4s h PHE 38 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3g4s h PHE 38 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.54 3g4s h PHE 38 CO 0.00 0.02 0.00 0.41 -0.18 0.00 0.00 178.31 178.56 3g4s n GLY 39 N 0.46 1.71 0.00 -1.45 0.00 -1.24 -2.87 105.19 101.81 3g4s n GLY 39 Ca 0.02 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.60 3g4s n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s n ALA 40 N 7.13 2.39 -1.98 4.61 0.00 -1.26 -4.85 120.51 126.55 3g4s n ALA 40 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 3g4s n ALA 40 Cb 0.00 -1.47 0.12 0.00 0.00 0.00 0.00 19.45 18.10 3g4s n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3g4s s ARG 41 N -2.71 1.54 0.00 0.00 0.52 -1.14 -4.82 118.95 112.34 3g4s s ARG 41 Ca 0.23 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 3g4s s ARG 41 Cb 0.19 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.40 3g4s s ARG 41 CO 0.47 -1.58 0.00 0.66 0.02 0.00 0.00 175.30 174.87 3g4s n TYR 42 N -2.96 0.00 0.00 -0.53 4.02 -1.26 -4.93 117.16 111.50 3g4s n TYR 42 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 3g4s n TYR 42 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3g4s n TYR 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g4s n GLY 43 N 0.00 1.50 0.11 2.72 0.00 -1.26 -4.84 105.19 103.42 3g4s n GLY 43 Ca 0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 3g4s n GLY 43 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g4s h ARG 44 N 0.00 0.26 0.00 1.61 3.08 -1.97 -2.81 114.38 114.54 3g4s h ARG 44 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3g4s h ARG 44 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3g4s h ARG 44 CO 0.00 0.50 0.00 0.28 -1.07 0.00 0.00 179.97 179.68 3g4s h VAL 45 N -0.02 0.00 0.23 2.04 2.07 -1.98 -0.11 116.25 118.48 3g4s h VAL 45 Ca 0.04 -0.32 -0.34 0.00 0.82 0.00 0.00 66.70 66.90 3g4s h VAL 45 Cb 0.39 1.19 0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3g4s h VAL 45 CO 0.01 0.00 -1.57 0.28 0.02 0.00 0.00 177.57 176.31 3g4s h SER 46 N 0.00 0.78 -0.55 0.57 0.02 -1.87 -3.06 113.55 109.44 3g4s h SER 46 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 3g4s h SER 46 Cb 0.36 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3g4s h SER 46 CO 0.00 1.73 0.00 -2.11 -1.14 0.00 0.00 176.83 175.31 3g4s n ARG 47 N -3.68 2.49 -0.06 3.45 1.85 -0.93 -3.47 116.66 116.31 3g4s n ARG 47 Ca -0.19 -2.29 -0.11 0.00 -1.00 0.00 0.00 57.85 54.25 3g4s n ARG 47 Cb 1.10 -1.51 -0.04 0.00 -1.05 0.00 0.00 32.46 30.96 3g4s n ARG 47 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3g4s n ARG 48 N 1.41 0.35 0.27 2.89 0.63 -0.10 -4.40 116.66 117.71 3g4s n ARG 48 Ca 0.21 0.14 -0.14 0.00 -0.92 0.00 0.00 57.85 57.15 3g4s n ARG 48 Cb 0.56 -1.10 -0.07 0.00 0.45 0.00 0.00 32.46 32.30 3g4s n ARG 48 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g4s h ARG 49 N -0.63 -0.70 -0.83 -0.14 3.08 -1.74 -2.09 114.38 111.33 3g4s h ARG 49 Ca -0.18 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3g4s h ARG 49 Cb 0.94 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 3g4s h ARG 49 CO -0.11 -0.40 0.46 0.28 -1.07 0.00 0.00 179.97 179.13 3g4s h VAL 50 N -1.05 1.24 -0.12 2.04 2.07 -1.75 -0.85 116.25 117.82 3g4s h VAL 50 Ca -0.07 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 3g4s h VAL 50 Cb 0.63 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3g4s h VAL 50 CO 0.12 0.27 -0.39 0.00 0.02 0.00 0.00 177.57 177.59 3g4s h ALA 51 N 1.34 1.11 0.11 1.67 0.00 -1.75 -1.71 119.26 120.03 3g4s h ALA 51 Ca 0.29 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3g4s h ALA 51 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3g4s h ALA 51 CO -0.05 0.58 -0.05 1.49 0.00 0.00 0.00 179.25 181.22 3g4s h GLU 52 N 0.22 -0.14 0.00 0.00 4.81 -0.99 -2.34 114.58 116.14 3g4s h GLU 52 Ca 0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3g4s h GLU 52 Cb 0.80 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3g4s h GLU 52 CO 0.06 0.37 0.00 -0.89 -0.73 0.00 0.00 179.01 177.82 3g4s n ILE 53 N -4.87 0.20 -0.07 2.32 5.41 -0.36 -1.49 119.36 120.50 3g4s n ILE 53 Ca -0.08 0.05 -0.08 0.00 1.00 0.00 0.00 62.75 63.64 3g4s n ILE 53 Cb 0.28 -0.75 -0.11 0.00 -0.71 0.00 0.00 39.64 38.36 3g4s n ILE 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3g4s n GLU 54 N -1.12 1.45 0.20 0.38 2.13 -0.65 -3.77 120.64 119.26 3g4s n GLU 54 Ca 0.12 0.02 0.10 0.00 0.66 0.00 0.00 57.16 58.05 3g4s n GLU 54 Cb 0.10 -1.36 0.20 0.00 0.27 0.00 0.00 31.44 30.65 3g4s n GLU 54 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3g4s h SER 55 N 0.00 0.00 0.96 4.31 0.87 -1.13 -2.70 113.55 115.85 3g4s h SER 55 Ca -0.39 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.96 3g4s h SER 55 Cb 1.82 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.75 3g4s h SER 55 CO 0.00 0.15 -1.08 -0.33 -0.53 0.00 0.00 176.83 175.04 3g4s h GLU 56 N 0.00 0.00 0.00 2.24 5.08 -1.46 -3.36 114.58 117.08 3g4s h GLU 56 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g4s h GLU 56 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3g4s h GLU 56 CO 0.02 0.82 -1.70 0.00 -1.00 0.00 0.00 179.01 177.15 3g4s n MET 57 N -3.26 0.64 -0.31 2.33 0.00 -1.20 -4.09 117.12 111.23 3g4s n MET 57 Ca -0.03 -0.10 0.05 0.00 0.00 0.00 0.00 57.70 57.62 3g4s n MET 57 Cb 0.93 -1.61 0.18 0.00 0.00 0.00 0.00 33.22 32.72 3g4s n MET 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3g4s n ASN 58 N -2.39 2.64 -4.08 3.17 3.02 -1.02 -4.51 115.26 112.08 3g4s n ASN 58 Ca -0.03 -2.22 -0.18 0.00 -0.03 0.00 0.00 54.58 52.13 3g4s n ASN 58 Cb 0.57 -0.41 0.09 0.00 -0.61 0.00 0.00 39.78 39.42 3g4s n ASN 58 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3g4s n GLU 59 N 0.47 0.18 -3.54 3.52 2.13 -1.26 -5.06 120.64 117.08 3g4s n GLU 59 Ca 0.13 -2.22 -0.40 0.00 0.66 0.00 0.00 57.16 55.34 3g4s n GLU 59 Cb 0.51 -0.45 -0.11 0.00 0.27 0.00 0.00 31.44 31.66 3g4s n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3g4s s ASP 60 N -4.13 6.06 0.24 4.31 1.01 -1.26 -4.73 116.67 118.16 3g4s s ASP 60 Ca 0.51 -0.30 0.11 0.00 0.71 0.00 0.00 52.55 53.58 3g4s s ASP 60 Cb -0.03 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 3g4s s ASP 60 CO 0.34 -0.19 -0.20 -1.00 0.21 0.00 0.00 175.17 174.33 3g4s s HIS 61 N 1.75 2.18 0.34 4.23 3.76 -0.91 -4.97 115.29 121.67 3g4s s HIS 61 Ca 0.07 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.32 3g4s s HIS 61 Cb -0.17 -1.00 -0.10 0.00 1.11 0.00 0.00 32.58 32.43 3g4s s HIS 61 CO 0.11 0.59 1.22 0.00 -0.85 0.00 0.00 174.74 175.81 3g4s s ALA 62 N -2.31 3.39 -0.13 -1.40 0.00 -1.26 -3.27 121.76 116.77 3g4s s ALA 62 Ca 0.25 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 3g4s s ALA 62 Cb -0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3g4s s ALA 62 CO 0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 175.76 175.32 3g4s n PRO 64 N 3.27 0.77 -0.06 0.00 -0.02 -1.26 -2.04 135.00 135.66 3g4s n PRO 64 Ca -0.18 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.36 3g4s n PRO 64 Cb 0.53 -1.44 0.08 0.00 -0.02 0.00 0.00 33.50 32.65 3g4s n PRO 64 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3g4s n ASN 65 N -0.94 2.23 0.15 2.55 5.15 -1.26 -4.87 115.26 118.26 3g4s n ASN 65 Ca 0.16 -1.64 0.00 0.00 -0.60 0.00 0.00 54.58 52.50 3g4s n ASN 65 Cb 0.07 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3g4s n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g4s n GLY 67 N -1.29 1.70 3.96 0.00 0.00 -0.86 -5.05 105.19 103.65 3g4s n GLY 67 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3g4s n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 68 N 0.00 3.45 0.00 1.61 8.01 -1.26 -4.70 118.70 125.81 3g4s s GLU 68 Ca 0.00 -0.68 0.23 0.00 0.01 0.00 0.00 54.97 54.53 3g4s s GLU 68 Cb 0.00 -2.85 1.36 0.00 -4.31 0.00 0.00 34.13 28.33 3g4s s GLU 68 CO 0.00 0.38 1.76 -0.25 0.01 0.00 0.00 175.26 177.16 3g4s n ASP 69 N -1.47 0.00 -0.63 -0.19 8.00 -1.25 -1.74 116.55 119.27 3g4s n ASP 69 Ca -0.08 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3g4s n ASP 69 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3g4s n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g4s n ARG 70 N -0.96 0.50 -2.87 -1.24 1.74 -1.25 -2.13 116.66 110.45 3g4s n ARG 70 Ca 0.17 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 3g4s n ARG 70 Cb 0.08 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3g4s n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3g4s s VAL 71 N -0.62 4.70 0.40 1.55 1.01 -1.20 -1.50 120.40 124.74 3g4s s VAL 71 Ca 0.00 1.25 0.08 0.00 0.00 0.00 0.00 61.98 63.31 3g4s s VAL 71 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3g4s s VAL 71 CO 0.00 -0.36 0.09 -1.81 0.00 0.00 0.00 175.10 173.02 3g4s s ASP 72 N 1.69 4.18 0.29 3.32 1.01 0.16 -4.10 116.67 123.23 3g4s s ASP 72 Ca 0.36 -1.17 -0.02 0.00 0.71 0.00 0.00 52.55 52.43 3g4s s ASP 72 Cb -0.13 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.30 3g4s s ASP 72 CO 0.14 -0.45 0.52 -0.60 0.21 0.00 0.00 175.17 174.99 3g4s s ARG 73 N -3.80 3.55 0.00 8.23 3.52 -1.26 -0.40 118.95 128.78 3g4s s ARG 73 Ca 0.38 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 3g4s s ARG 73 Cb 0.05 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3g4s s ARG 73 CO 0.20 0.22 0.10 1.04 -0.81 0.00 0.00 175.30 176.05 3g4s n GLN 74 N -1.22 1.90 -1.67 5.12 1.13 -0.62 -4.74 117.38 117.28 3g4s n GLN 74 Ca -0.04 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3g4s n GLN 74 Cb 0.55 -0.44 0.00 0.00 0.11 0.00 0.00 30.24 30.45 3g4s n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g4s n GLY 75 N 0.30 -0.17 3.55 1.08 0.00 -1.23 -4.95 105.19 103.77 3g4s n GLY 75 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 3g4s n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 76 N -3.45 3.58 0.00 2.61 2.01 -1.26 -3.64 115.64 115.49 3g4s s THR 76 Ca 0.00 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3g4s s THR 76 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 68.02 3g4s s THR 76 CO 0.00 -1.44 0.00 0.61 -0.69 0.00 0.00 174.62 173.10 3g4s n GLY 77 N 5.78 3.01 3.68 4.40 0.00 -1.21 -4.96 105.19 115.89 3g4s n GLY 77 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3g4s n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g4s s ILE 78 N -2.42 4.82 -0.06 -0.61 1.01 -1.24 -2.43 121.20 120.28 3g4s s ILE 78 Ca 0.00 1.87 0.05 0.00 0.00 0.00 0.00 60.65 62.57 3g4s s ILE 78 Cb 0.00 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3g4s s ILE 78 CO 0.00 0.01 -0.20 0.26 0.00 0.00 0.00 174.94 175.02 3g4s s TRP 79 N 2.07 2.57 0.03 3.97 0.52 -0.48 -1.59 118.94 126.02 3g4s s TRP 79 Ca 0.44 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 56.14 3g4s s TRP 79 Cb -0.17 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 3g4s s TRP 79 CO 0.15 -0.04 -0.12 -1.14 0.02 0.00 0.00 176.95 175.83 3g4s s GLN 80 N -0.38 0.82 0.08 4.98 0.74 0.46 0.64 119.66 127.00 3g4s s GLN 80 Ca 0.03 -0.64 -0.05 0.00 0.05 0.00 0.00 55.36 54.75 3g4s s GLN 80 Cb -0.12 -0.78 -0.05 0.00 1.10 0.00 0.00 33.01 33.16 3g4s s GLN 80 CO 0.02 0.19 0.32 0.00 -0.55 0.00 0.00 175.29 175.28 3g4s n SER 82 N 0.53 4.42 0.00 0.00 3.41 -0.56 -4.00 113.62 117.42 3g4s n SER 82 Ca -0.06 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 3g4s n SER 82 Cb 0.52 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3g4s n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s n TYR 83 N -0.23 0.00 -0.87 7.33 9.36 -1.26 -4.75 117.16 126.74 3g4s n TYR 83 Ca 0.29 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.33 3g4s n TYR 83 Cb 1.11 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 39.99 3g4s n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3g4s n ASP 85 N -0.81 -2.88 -4.55 0.00 8.00 -1.26 -4.87 116.55 110.18 3g4s n ASP 85 Ca 0.49 -0.91 -0.40 0.00 0.71 0.00 0.00 54.79 54.68 3g4s n ASP 85 Cb 1.47 -1.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 3g4s n ASP 85 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3g4s s TYR 86 N -3.91 2.20 -0.56 1.24 5.04 -1.26 -4.78 117.35 115.33 3g4s s TYR 86 Ca 0.33 -0.00 -0.23 0.00 -2.44 0.00 0.00 57.07 54.73 3g4s s TYR 86 Cb -0.19 -4.54 0.05 0.00 0.35 0.00 0.00 41.96 37.63 3g4s s TYR 86 CO 0.68 -2.09 0.89 0.21 -1.34 0.00 0.00 175.55 173.90 3g4s s LYS 87 N 5.88 3.27 0.22 4.97 2.20 -1.26 -1.52 119.74 133.50 3g4s s LYS 87 Ca 0.42 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 3g4s s LYS 87 Cb -0.08 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 3g4s s LYS 87 CO 0.12 -1.48 0.01 1.97 -0.36 0.00 0.00 175.35 175.61 3g4s n PHE 88 N 7.26 0.46 -3.77 4.03 -0.00 0.21 -4.99 117.46 120.65 3g4s n PHE 88 Ca -0.00 -1.09 -0.21 0.00 -0.00 0.00 0.00 57.45 56.15 3g4s n PHE 88 Cb 0.47 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.48 39.77 3g4s n PHE 88 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3g4s s THR 89 N -1.78 4.03 0.00 1.97 -4.23 -1.26 -1.38 115.64 112.99 3g4s s THR 89 Ca 0.00 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3g4s s THR 89 Cb -0.00 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3g4s s THR 89 CO 0.00 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3g4s n GLY 90 N -1.43 0.31 3.72 3.99 0.00 -1.02 -4.77 105.19 105.99 3g4s n GLY 90 Ca -0.03 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3g4s n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 91 N -0.40 1.56 0.00 -0.02 0.00 -1.04 -4.59 105.19 100.70 3g4s n GLY 91 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3g4s n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3g4s n SER 92 N 4.11 0.00 -0.00 1.61 7.64 -1.26 -2.19 113.62 123.52 3g4s n SER 92 Ca 0.16 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.04 3g4s n SER 92 Cb 0.35 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.54 3g4s n SER 92 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3g4s n TYR 93 N -3.63 0.00 -3.79 1.43 4.02 -1.26 -3.32 117.16 110.61 3g4s n TYR 93 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 3g4s n TYR 93 Cb 0.00 -0.06 -0.13 0.00 -0.02 0.00 0.00 39.34 39.13 3g4s n TYR 93 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3g4s s LYS 94 N -2.07 3.64 0.24 -0.72 2.20 -0.93 -4.44 119.74 117.66 3g4s s LYS 94 Ca -0.01 -0.49 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 3g4s s LYS 94 Cb 0.01 -3.29 0.36 0.00 -1.51 0.00 0.00 37.83 33.41 3g4s s LYS 94 CO 0.07 -0.17 1.62 -1.00 -0.36 0.00 0.00 175.35 175.50 3g4s h PRO 95 N 8.16 0.03 -4.50 4.03 0.13 -1.94 -2.76 132.00 135.16 3g4s h PRO 95 Ca -0.38 -0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 3g4s h PRO 95 Cb 1.17 -0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 3g4s h PRO 95 CO 0.58 0.02 -0.80 -1.21 -0.23 0.00 0.00 178.00 176.37 3g4s s GLU 96 N -6.19 1.84 0.36 0.86 2.02 -1.26 -2.84 118.70 113.49 3g4s s GLU 96 Ca -0.14 -0.98 -0.12 0.00 0.02 0.00 0.00 54.97 53.75 3g4s s GLU 96 Cb 0.22 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 3g4s s GLU 96 CO 0.75 -0.53 0.74 0.95 0.02 0.00 0.00 175.26 177.18 3g4s s THR 97 N 1.36 4.76 -1.10 3.63 -4.23 -1.26 -4.95 115.64 113.85 3g4s s THR 97 Ca -0.05 0.72 0.03 0.00 -1.18 0.00 0.00 61.69 61.22 3g4s s THR 97 Cb -0.18 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.02 3g4s s THR 97 CO -0.07 -0.36 1.07 -2.65 -0.54 0.00 0.00 174.62 172.07 3g4s n PRO 98 N -0.87 0.01 -0.02 3.99 -0.02 -1.26 -0.83 135.00 136.00 3g4s n PRO 98 Ca 0.03 0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.88 3g4s n PRO 98 Cb 0.54 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.39 3g4s n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g4s n GLY 99 N -1.11 -1.09 0.22 -1.23 0.00 -1.26 -3.83 105.19 96.90 3g4s n GLY 99 Ca 0.01 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3g4s n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 100 N 1.50 -0.66 0.01 -0.02 0.00 -0.01 -3.30 105.19 102.70 3g4s n GLY 100 Ca -0.16 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3g4s n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g4s n LYS 101 N -0.65 1.77 0.20 1.61 5.02 -0.97 -4.35 118.16 120.79 3g4s n LYS 101 Ca 0.15 -0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3g4s n LYS 101 Cb 0.30 -1.25 0.24 0.00 -0.02 0.00 0.00 35.03 34.31 3g4s n LYS 101 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3g4s h THR 102 N 0.04 0.00 0.00 -0.18 2.02 -1.65 -3.16 112.91 109.97 3g4s h THR 102 Ca 0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3g4s h THR 102 Cb 0.38 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3g4s h THR 102 CO 0.00 0.00 0.00 0.58 0.37 0.00 0.00 175.52 176.47 3g4s h VAL 103 N 0.00 0.00 0.01 3.16 2.07 -1.76 -3.12 116.25 116.61 3g4s h VAL 103 Ca 0.00 -0.49 -0.26 0.00 0.82 0.00 0.00 66.70 66.77 3g4s h VAL 103 Cb 0.92 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3g4s h VAL 103 CO 0.00 0.00 -1.41 0.03 0.02 0.00 0.00 177.57 176.21 3g4s h ARG 104 N 0.00 0.02 -0.52 1.57 3.08 -1.83 -3.36 114.38 113.34 3g4s h ARG 104 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3g4s h ARG 104 Cb 0.59 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3g4s h ARG 104 CO 0.00 0.75 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 3g4s h ARG 105 N 0.01 0.90 0.00 0.04 3.08 -1.68 -3.53 114.38 113.20 3g4s h ARG 105 Ca -0.17 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3g4s h ARG 105 Cb 1.92 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.88 3g4s h ARG 105 CO 0.11 0.91 0.00 -1.13 -1.07 0.00 0.00 179.97 178.79