#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2of9 s SER 5 N 1.68 4.74 0.30 0.00 0.15 -1.26 -4.72 113.70 114.59 2of9 s SER 5 Ca 0.05 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 56.86 2of9 s SER 5 Cb -0.19 -1.61 1.02 0.00 -1.71 0.00 0.00 66.02 63.53 2of9 s SER 5 CO 0.10 0.23 1.76 -0.07 1.20 0.00 0.00 173.24 176.46 2of9 h LEU 6 N 6.25 0.00 -9.23 3.45 4.07 -1.97 -3.45 115.31 114.44 2of9 h LEU 6 Ca -0.36 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 56.90 2of9 h LEU 6 Cb 1.19 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.98 2of9 h LEU 6 CO 0.59 0.00 0.43 0.35 -1.08 0.00 0.00 178.44 178.73 2of9 n THR 7 N -2.39 0.02 0.00 0.22 -2.24 -1.26 -4.56 114.28 104.06 2of9 n THR 7 Ca 0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2of9 n THR 7 Cb 0.27 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2of9 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2of9 n GLY 8 N 2.49 0.57 3.62 3.38 0.00 -0.27 -4.95 105.19 110.04 2of9 n GLY 8 Ca 0.19 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 2of9 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2of9 s LYS 9 N -0.87 3.02 0.04 1.61 1.02 -1.26 -0.69 119.74 122.62 2of9 s LYS 9 Ca 0.00 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2of9 s LYS 9 Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2of9 s LYS 9 CO 0.00 0.61 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.36 2of9 s TRP 10 N -0.65 0.86 0.20 3.18 0.52 -0.08 -1.16 118.94 121.81 2of9 s TRP 10 Ca 0.10 -0.42 0.11 0.00 0.02 0.00 0.00 56.10 55.91 2of9 s TRP 10 Cb -0.12 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.65 2of9 s TRP 10 CO 0.02 -0.03 -0.21 0.95 0.02 0.00 0.00 176.95 177.70 2of9 s THR 11 N -1.14 2.49 0.52 2.01 -4.23 -0.23 -1.12 115.64 113.94 2of9 s THR 11 Ca -0.05 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 2of9 s THR 11 Cb -0.09 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 2of9 s THR 11 CO 0.01 -0.16 0.05 0.54 -0.54 0.00 0.00 174.62 174.52 2of9 s ASN 12 N -2.82 4.20 0.22 3.99 2.20 -0.56 -1.38 114.94 120.78 2of9 s ASN 12 Ca 0.23 -1.61 0.21 0.00 -0.94 0.00 0.00 52.86 50.75 2of9 s ASN 12 Cb -0.08 0.52 0.91 0.00 -2.00 0.00 0.00 41.25 40.61 2of9 s ASN 12 CO 0.11 -0.89 1.63 -0.46 -2.94 0.00 0.00 177.10 174.56 2of9 n ASN 13 N -1.33 0.52 -0.39 3.54 6.94 -0.96 -1.14 115.26 122.43 2of9 n ASN 13 Ca -0.17 0.65 0.12 0.00 -0.02 0.00 0.00 54.58 55.15 2of9 n ASN 13 Cb 0.67 -0.75 0.18 0.00 -2.36 0.00 0.00 39.78 37.52 2of9 n ASN 13 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2of9 n LEU 14 N -2.09 1.58 0.00 -4.53 4.77 -1.26 -4.97 117.00 110.50 2of9 n LEU 14 Ca 0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2of9 n LEU 14 Cb 0.18 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2of9 n LEU 14 CO 0.16 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2of9 n GLY 15 N 1.38 0.59 3.78 -0.72 0.00 -0.30 -4.74 105.19 105.17 2of9 n GLY 15 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2of9 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2of9 s SER 16 N -2.95 5.06 -0.00 1.61 0.01 -1.26 -4.68 113.70 111.49 2of9 s SER 16 Ca 0.00 1.92 0.04 0.00 1.31 0.00 0.00 55.95 59.22 2of9 s SER 16 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2of9 s SER 16 CO 0.00 -1.66 -0.11 0.27 0.41 0.00 0.00 173.24 172.15 2of9 s ILE 17 N -2.51 0.89 0.07 1.44 -4.36 -0.56 -1.50 121.20 114.67 2of9 s ILE 17 Ca 0.65 -0.52 0.03 0.00 -0.26 0.00 0.00 60.65 60.54 2of9 s ILE 17 Cb -0.19 -0.75 -0.03 0.00 1.25 0.00 0.00 42.46 42.74 2of9 s ILE 17 CO 0.45 0.22 -0.09 0.00 0.24 0.00 0.00 174.94 175.76 2of9 s MET 18 N -0.34 0.68 -0.14 0.37 0.23 -0.28 -0.49 119.30 119.33 2of9 s MET 18 Ca 0.04 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 53.74 2of9 s MET 18 Cb -0.05 -0.41 0.03 0.00 -1.53 0.00 0.00 34.83 32.87 2of9 s MET 18 CO -0.00 0.07 -0.11 0.99 -2.03 0.00 0.00 175.02 173.93 2of9 s THR 19 N -1.92 1.35 -0.13 3.16 2.01 -0.01 -0.90 115.64 119.21 2of9 s THR 19 Ca -0.02 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2of9 s THR 19 Cb -0.06 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2of9 s THR 19 CO -0.00 0.38 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.65 2of9 s ILE 20 N 1.57 3.93 0.00 1.82 1.01 0.14 -0.85 121.20 128.81 2of9 s ILE 20 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2of9 s ILE 20 Cb -0.13 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2of9 s ILE 20 CO -0.09 0.53 0.00 0.54 0.00 0.00 0.00 174.94 175.92 2of9 n ARG 21 N 3.03 0.79 -1.73 2.79 1.74 -0.14 -1.11 116.66 122.04 2of9 n ARG 21 Ca -0.18 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 2of9 n ARG 21 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.95 2of9 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2of9 n ALA 22 N -3.00 2.09 -2.67 7.54 0.00 -1.26 -4.28 120.51 118.93 2of9 n ALA 22 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2of9 n ALA 22 Cb 0.00 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 2of9 n ALA 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2of9 s VAL 23 N -0.42 5.03 0.86 0.00 1.01 -1.26 -4.54 120.40 121.08 2of9 s VAL 23 Ca 0.61 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.67 2of9 s VAL 23 Cb -0.53 -3.94 0.19 0.00 0.00 0.00 0.00 36.38 32.10 2of9 s VAL 23 CO 0.54 0.13 1.18 -0.46 0.00 0.00 0.00 175.10 176.49 2of9 n ASN 24 N 4.88 0.41 0.15 3.32 0.23 -0.39 -4.86 115.26 119.00 2of9 n ASN 24 Ca -0.02 -1.62 0.13 0.00 -0.53 0.00 0.00 54.58 52.54 2of9 n ASN 24 Cb 0.50 -0.87 0.50 0.00 -2.08 0.00 0.00 39.78 37.83 2of9 n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2of9 h SER 25 N -1.37 0.00 0.71 0.53 4.64 -1.98 -0.74 113.55 115.35 2of9 h SER 25 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2of9 h SER 25 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2of9 h SER 25 CO 0.30 0.00 -0.28 0.54 -0.87 0.00 0.00 176.83 176.52 2of9 n ARG 26 N -2.40 0.00 -0.34 4.77 5.12 -1.26 -4.94 116.66 117.61 2of9 n ARG 26 Ca 0.02 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2of9 n ARG 26 Cb 0.28 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2of9 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2of9 n GLY 27 N 1.50 0.73 3.77 -0.13 0.00 -0.28 -4.80 105.19 105.98 2of9 n GLY 27 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2of9 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2of9 s GLU 28 N -0.66 4.40 0.04 1.61 2.02 -1.26 -0.47 118.70 124.37 2of9 s GLU 28 Ca 0.00 1.57 -0.11 0.00 0.02 0.00 0.00 54.97 56.46 2of9 s GLU 28 Cb 0.00 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.43 2of9 s GLU 28 CO 0.00 0.06 0.23 -0.59 0.02 0.00 0.00 175.26 174.97 2of9 s PHE 29 N -1.48 0.01 0.36 1.61 -0.12 -0.26 -1.27 117.98 116.83 2of9 s PHE 29 Ca 0.52 -0.20 0.04 0.00 -0.05 0.00 0.00 56.93 57.24 2of9 s PHE 29 Cb -0.25 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.09 2of9 s PHE 29 CO 0.31 -0.45 0.06 -0.08 -0.05 0.00 0.00 175.22 175.01 2of9 s THR 30 N -2.54 1.20 -1.64 -4.49 -1.32 -1.26 -1.11 115.64 104.47 2of9 s THR 30 Ca -0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 2of9 s THR 30 Cb -0.01 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2of9 s THR 30 CO -0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 2of9 n GLY 31 N -0.78 -0.92 3.21 6.08 0.00 -0.93 -0.96 105.19 110.88 2of9 n GLY 31 Ca -0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 2of9 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2of9 s THR 32 N -3.00 1.11 -0.06 2.61 -4.23 -0.03 -1.59 115.64 110.45 2of9 s THR 32 Ca 0.00 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2of9 s THR 32 Cb 0.00 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.37 2of9 s THR 32 CO 0.00 -0.54 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.05 2of9 s TYR 33 N -2.49 0.69 -0.38 3.99 6.14 0.57 -0.83 117.35 125.04 2of9 s TYR 33 Ca 0.09 -0.18 -0.02 0.00 0.64 0.00 0.00 57.07 57.59 2of9 s TYR 33 Cb -0.03 -0.73 0.09 0.00 0.42 0.00 0.00 41.96 41.72 2of9 s TYR 33 CO 0.01 -0.26 0.15 -1.17 0.64 0.00 0.00 175.55 174.92 2of9 s LEU 34 N 1.48 4.92 0.27 6.97 2.96 0.36 -1.69 118.68 133.95 2of9 s LEU 34 Ca -0.02 -1.85 -0.29 0.00 -0.22 0.00 0.00 54.13 51.75 2of9 s LEU 34 Cb -0.13 -1.80 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 2of9 s LEU 34 CO -0.03 -0.47 0.99 0.28 -1.32 0.00 0.00 176.35 175.80 2of9 s THR 35 N 1.16 3.90 -0.46 3.68 -1.32 -1.26 -1.49 115.64 119.85 2of9 s THR 35 Ca 0.05 1.87 0.23 0.00 -1.21 0.00 0.00 61.69 62.63 2of9 s THR 35 Cb -0.22 -4.17 0.30 0.00 -1.51 0.00 0.00 72.50 66.90 2of9 s THR 35 CO -0.03 0.41 1.58 0.00 -2.21 0.00 0.00 174.62 174.36 2of9 h ALA 36 N 3.90 0.95 -3.85 11.08 0.00 -1.85 -3.47 119.26 126.02 2of9 h ALA 36 Ca -0.46 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.04 2of9 h ALA 36 Cb 1.20 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.73 2of9 h ALA 36 CO 0.67 0.00 -0.79 0.14 0.00 0.00 0.00 179.25 179.28 2of9 s VAL 37 N -3.21 0.92 0.25 0.00 -7.23 -1.26 -5.01 120.40 104.86 2of9 s VAL 37 Ca 0.07 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.28 2of9 s VAL 37 Cb 0.06 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.21 2of9 s VAL 37 CO 0.67 0.07 0.67 0.00 -0.31 0.00 0.00 175.10 176.20 2of9 s ALA 38 N -0.62 -1.18 0.17 1.32 0.00 -1.26 -5.02 121.76 115.17 2of9 s ALA 38 Ca 0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2of9 s ALA 38 Cb -0.06 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.04 2of9 s ALA 38 CO 0.00 -0.97 1.71 0.00 0.00 0.00 0.00 175.76 176.51 2of9 h ALA 39 N 2.04 0.40 -3.27 0.00 0.00 -2.02 -3.34 119.26 113.07 2of9 h ALA 39 Ca -0.23 0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.15 2of9 h ALA 39 Cb 1.26 0.14 -0.41 0.00 0.00 0.00 0.00 17.79 18.78 2of9 h ALA 39 CO 0.27 -0.36 -0.65 -0.80 0.00 0.00 0.00 179.25 177.72 2of9 s ASN 40 N -5.29 4.20 0.59 0.00 -0.87 -1.26 -4.99 114.94 107.32 2of9 s ASN 40 Ca -0.13 -3.02 0.32 0.00 -1.57 0.00 0.00 52.86 48.46 2of9 s ASN 40 Cb 0.14 -1.51 1.83 0.00 -0.02 0.00 0.00 41.25 41.69 2of9 s ASN 40 CO 0.71 -0.22 2.23 1.55 -2.57 0.00 0.00 177.10 178.80 2of9 h PRO 41 N 6.44 0.00 0.00 -0.60 0.13 -1.96 -1.95 132.00 134.05 2of9 h PRO 41 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2of9 h PRO 41 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2of9 h PRO 41 CO 0.65 0.03 -0.06 0.78 -0.23 0.00 0.00 178.00 179.16 2of9 h GLY 42 N 0.23 0.00 0.79 1.56 0.00 -1.95 -2.38 103.07 101.32 2of9 h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2of9 h GLY 42 CO 0.00 0.00 -0.29 0.70 0.00 0.00 0.00 176.54 176.95 2of9 n ASN 43 N -3.59 0.64 -4.73 0.19 3.02 -0.73 -4.99 115.26 105.07 2of9 n ASN 43 Ca -0.02 -0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 53.63 2of9 n ASN 43 Cb 0.18 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 2of9 n ASN 43 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2of9 s ILE 44 N -2.71 2.28 0.10 2.41 1.01 -0.90 -4.79 121.20 118.60 2of9 s ILE 44 Ca 0.20 0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.10 2of9 s ILE 44 Cb 0.19 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2of9 s ILE 44 CO 0.57 0.03 -0.09 0.42 0.00 0.00 0.00 174.94 175.87 2of9 s THR 45 N 0.57 0.86 0.24 2.92 -4.23 -1.26 -5.09 115.64 109.63 2of9 s THR 45 Ca 0.67 -1.78 -0.31 0.00 -1.18 0.00 0.00 61.69 59.09 2of9 s THR 45 Cb -0.46 -1.51 -0.13 0.00 1.34 0.00 0.00 72.50 71.74 2of9 s THR 45 CO 0.39 -0.70 1.44 -0.11 -0.54 0.00 0.00 174.62 175.10 2of9 n LEU 46 N 0.27 3.19 -4.15 4.79 7.94 -1.26 -4.68 117.00 123.09 2of9 n LEU 46 Ca -0.14 1.14 -0.19 0.00 -1.11 0.00 0.00 56.01 55.70 2of9 n LEU 46 Cb 0.59 -1.44 -0.13 0.00 0.53 0.00 0.00 43.42 42.97 2of9 n LEU 46 CO 0.28 -0.43 -0.46 -0.44 -1.11 0.00 0.00 177.39 175.24 2of9 s SER 47 N 0.36 1.65 0.41 1.96 0.01 -0.68 -4.69 113.70 112.72 2of9 s SER 47 Ca 0.69 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.23 2of9 s SER 47 Cb -0.64 -0.09 -0.11 0.00 0.21 0.00 0.00 66.02 65.39 2of9 s SER 47 CO 0.48 0.00 0.96 -2.16 0.41 0.00 0.00 173.24 172.93 2of9 s PRO 48 N -1.29 4.28 0.15 12.44 0.04 -1.25 -0.32 135.00 149.06 2of9 s PRO 48 Ca 0.01 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.31 2of9 s PRO 48 Cb -0.08 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2of9 s PRO 48 CO 0.01 0.01 -0.16 -0.48 0.04 0.00 0.00 177.00 176.42 2of9 s LEU 49 N -2.94 2.44 -0.13 -3.56 0.05 -0.62 -1.99 118.68 111.93 2of9 s LEU 49 Ca 0.60 -0.86 -0.08 0.00 0.05 0.00 0.00 54.13 53.84 2of9 s LEU 49 Cb -0.12 -0.71 0.05 0.00 -2.05 0.00 0.00 46.19 43.36 2of9 s LEU 49 CO 0.16 -0.09 0.32 -0.22 -0.55 0.00 0.00 176.35 175.97 2of9 s LEU 50 N -2.65 0.29 0.00 1.48 2.96 -0.50 -2.19 118.68 118.07 2of9 s LEU 50 Ca 0.14 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.65 2of9 s LEU 50 Cb -0.05 1.02 0.03 0.00 0.50 0.00 0.00 46.19 47.69 2of9 s LEU 50 CO 0.05 -0.17 0.42 0.61 -1.32 0.00 0.00 176.35 175.95 2of9 n GLY 51 N 4.02 1.51 2.89 7.98 0.00 -0.27 -1.12 105.19 120.20 2of9 n GLY 51 Ca -0.23 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 2of9 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2of9 s ILE 52 N -2.52 0.27 0.25 -0.61 1.01 -0.48 -1.10 121.20 118.03 2of9 s ILE 52 Ca 0.09 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.76 2of9 s ILE 52 Cb -0.03 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 2of9 s ILE 52 CO 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 174.94 175.09 2of9 s GLN 53 N 0.34 2.22 0.55 2.79 -2.07 0.38 -1.49 119.66 122.38 2of9 s GLN 53 Ca -0.03 -1.40 -0.18 0.00 -1.82 0.00 0.00 55.36 51.92 2of9 s GLN 53 Cb -0.06 -2.14 -0.06 0.00 -1.09 0.00 0.00 33.01 29.66 2of9 s GLN 53 CO -0.01 0.38 1.08 -1.01 -1.32 0.00 0.00 175.29 174.41 2of9 s HIS 54 N -2.21 2.84 -0.18 9.60 3.76 -0.64 -4.29 115.29 124.17 2of9 s HIS 54 Ca 0.30 1.55 -0.01 0.00 -0.15 0.00 0.00 55.06 56.75 2of9 s HIS 54 Cb -0.07 -3.14 -0.11 0.00 1.11 0.00 0.00 32.58 30.37 2of9 s HIS 54 CO 0.19 -1.23 -0.17 1.63 -0.85 0.00 0.00 174.74 174.30 2of9 n LYS 55 N -1.47 0.44 0.09 1.40 4.76 -1.26 -4.67 118.16 117.44 2of9 n LYS 55 Ca 0.10 0.12 -0.17 0.00 -2.87 0.00 0.00 58.31 55.49 2of9 n LYS 55 Cb 0.52 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.29 2of9 n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2of9 h ARG 56 N -0.13 0.45 -6.90 1.97 3.08 -1.98 -3.46 114.38 107.42 2of9 h ARG 56 Ca -0.42 -0.59 -0.52 0.00 0.07 0.00 0.00 59.98 58.52 2of9 h ARG 56 Cb 1.58 0.19 0.07 0.00 0.08 0.00 0.00 29.97 31.90 2of9 h ARG 56 CO -0.10 1.23 0.64 0.00 -1.07 0.00 0.00 179.97 180.67 2of9 s ALA 57 N -3.01 3.45 0.29 0.04 0.00 -1.26 -4.93 121.76 116.35 2of9 s ALA 57 Ca -0.07 1.27 0.15 0.00 0.00 0.00 0.00 51.96 53.32 2of9 s ALA 57 Cb 0.07 -3.49 0.69 0.00 0.00 0.00 0.00 23.12 20.40 2of9 s ALA 57 CO 0.89 -0.70 1.77 0.66 0.00 0.00 0.00 175.76 178.39 2of9 h SER 58 N 3.22 0.00 -2.43 0.00 4.64 -1.95 -3.33 113.55 113.69 2of9 h SER 58 Ca -0.49 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.23 2of9 h SER 58 Cb 1.23 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.91 2of9 h SER 58 CO 0.65 0.41 -0.69 0.00 -0.87 0.00 0.00 176.83 176.32 2of9 n GLN 59 N -3.81 1.87 -2.36 4.77 6.02 -1.26 -2.14 117.38 120.47 2of9 n GLN 59 Ca -0.01 -4.28 -0.37 0.00 -0.01 0.00 0.00 57.00 52.32 2of9 n GLN 59 Cb 0.47 -2.06 -0.02 0.00 1.02 0.00 0.00 30.24 29.65 2of9 n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2of9 s PRO 60 N -1.79 3.99 0.65 -1.09 0.04 -1.25 -4.60 135.00 130.95 2of9 s PRO 60 Ca 0.34 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 2of9 s PRO 60 Cb 0.09 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 2of9 s PRO 60 CO -0.09 -0.34 1.05 0.99 0.04 0.00 0.00 177.00 178.65 2of9 s THR 61 N -1.53 4.31 0.25 1.26 2.01 -1.26 -1.45 115.64 119.23 2of9 s THR 61 Ca 0.59 0.75 -0.21 0.00 0.31 0.00 0.00 61.69 63.13 2of9 s THR 61 Cb -0.27 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.55 2of9 s THR 61 CO 0.34 -0.98 0.68 0.72 -0.69 0.00 0.00 174.62 174.69 2of9 s PHE 62 N -3.22 -0.23 0.04 4.92 -0.12 -0.46 -1.62 117.98 117.28 2of9 s PHE 62 Ca 0.56 -0.18 -0.11 0.00 -0.05 0.00 0.00 56.93 57.16 2of9 s PHE 62 Cb -0.11 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 2of9 s PHE 62 CO 0.54 -1.15 0.22 0.20 -0.05 0.00 0.00 175.22 174.98 2of9 s GLY 63 N -2.89 -0.01 0.08 1.99 0.00 -0.56 -1.98 107.32 103.96 2of9 s GLY 63 Ca 0.10 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.48 2of9 s GLY 63 CO 0.03 -0.38 0.35 -0.11 0.00 0.00 0.00 173.10 172.99 2of9 s PHE 64 N -2.50 -0.14 -0.11 1.90 -0.12 -0.08 -1.38 117.98 115.56 2of9 s PHE 64 Ca -0.05 -0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.72 2of9 s PHE 64 Cb -0.01 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2of9 s PHE 64 CO -0.03 -0.60 -0.08 0.99 -0.05 0.00 0.00 175.22 175.44 2of9 s THR 65 N -3.22 3.54 -0.24 -4.49 2.01 -0.27 -0.91 115.64 112.05 2of9 s THR 65 Ca -0.00 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 2of9 s THR 65 Cb 0.01 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 2of9 s THR 65 CO -0.08 0.55 0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 2of9 s VAL 66 N -0.19 3.73 -0.57 3.82 1.01 0.87 -1.41 120.40 127.66 2of9 s VAL 66 Ca 0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 2of9 s VAL 66 Cb -0.13 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.55 2of9 s VAL 66 CO 0.03 0.33 0.84 -2.28 0.00 0.00 0.00 175.10 174.02 2of9 s HIS 67 N 1.52 2.85 0.08 5.22 5.65 -0.84 -2.00 115.29 127.77 2of9 s HIS 67 Ca 0.05 -0.35 -0.31 0.00 0.25 0.00 0.00 55.06 54.70 2of9 s HIS 67 Cb -0.15 -3.97 -0.08 0.00 -1.18 0.00 0.00 32.58 27.20 2of9 s HIS 67 CO -0.00 -1.33 1.56 -1.58 -0.65 0.00 0.00 174.74 172.74 2of9 s TRP 68 N 3.52 2.74 -2.05 3.88 0.52 -1.22 -3.88 118.94 122.45 2of9 s TRP 68 Ca 0.23 0.55 0.30 0.00 0.02 0.00 0.00 56.10 57.20 2of9 s TRP 68 Cb -0.16 -3.87 1.46 0.00 -1.15 0.00 0.00 33.47 29.75 2of9 s TRP 68 CO 0.14 -3.33 1.98 0.09 0.02 0.00 0.00 176.95 175.85 2of9 n ASN 69 N 4.99 0.59 0.00 2.95 4.13 -1.26 -3.79 115.26 122.87 2of9 n ASN 69 Ca 0.14 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.38 2of9 n ASN 69 Cb 0.41 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 2of9 n ASN 69 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2of9 n PHE 70 N -0.63 0.00 -4.08 3.10 -1.74 -1.26 -5.00 117.46 107.86 2of9 n PHE 70 Ca 0.20 -0.17 -0.14 0.00 -0.56 0.00 0.00 57.45 56.77 2of9 n PHE 70 Cb 0.23 -0.02 -0.04 0.00 1.52 0.00 0.00 39.48 41.17 2of9 n PHE 70 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2of9 s SER 71 N -0.35 0.83 0.00 5.98 1.04 -1.25 -4.98 113.70 114.97 2of9 s SER 71 Ca 0.00 -1.45 0.19 0.00 0.48 0.00 0.00 55.95 55.17 2of9 s SER 71 Cb 0.00 0.66 0.63 0.00 0.10 0.00 0.00 66.02 67.41 2of9 s SER 71 CO 0.00 -1.29 1.47 -0.62 0.98 0.00 0.00 173.24 173.78 2of9 n GLU 72 N -0.55 1.80 -2.57 4.02 -0.58 -1.26 -4.73 120.64 116.77 2of9 n GLU 72 Ca 0.01 -1.22 -0.26 0.00 -0.42 0.00 0.00 57.16 55.27 2of9 n GLU 72 Cb 0.62 -1.38 0.02 0.00 -0.57 0.00 0.00 31.44 30.13 2of9 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2of9 s SER 73 N -1.42 5.74 -0.00 1.62 0.01 -1.26 -4.33 113.70 114.05 2of9 s SER 73 Ca 0.31 0.64 0.01 0.00 1.31 0.00 0.00 55.95 58.21 2of9 s SER 73 Cb 0.17 -1.73 -0.00 0.00 0.21 0.00 0.00 66.02 64.66 2of9 s SER 73 CO 0.24 -0.91 -0.03 -0.89 0.41 0.00 0.00 173.24 172.06 2of9 s THR 74 N -2.85 0.23 -0.00 1.44 2.01 -0.56 -3.43 115.64 112.47 2of9 s THR 74 Ca 0.52 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.42 2of9 s THR 74 Cb -0.10 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2of9 s THR 74 CO 0.43 0.03 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.25 2of9 s THR 75 N -0.15 2.16 -0.03 -0.82 2.01 -0.85 -0.31 115.64 117.66 2of9 s THR 75 Ca 0.00 -1.15 0.06 0.00 0.31 0.00 0.00 61.69 60.91 2of9 s THR 75 Cb -0.02 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2of9 s THR 75 CO -0.00 0.52 -0.22 0.68 -0.69 0.00 0.00 174.62 174.92 2of9 s VAL 76 N -0.67 2.43 -0.01 3.82 -7.23 -0.32 -0.09 120.40 118.32 2of9 s VAL 76 Ca 0.11 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.36 2of9 s VAL 76 Cb -0.10 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2of9 s VAL 76 CO -0.00 0.57 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.75 2of9 s PHE 77 N -0.67 2.38 0.02 2.82 0.40 -0.09 -1.26 117.98 121.57 2of9 s PHE 77 Ca 0.11 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2of9 s PHE 77 Cb -0.10 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 2of9 s PHE 77 CO -0.00 0.02 -0.02 -0.08 0.70 0.00 0.00 175.22 175.84 2of9 s THR 78 N -0.67 0.10 -0.16 0.64 -1.32 -0.35 -0.90 115.64 112.98 2of9 s THR 78 Ca 0.11 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 2of9 s THR 78 Cb -0.10 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2of9 s THR 78 CO -0.00 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 2of9 n GLY 79 N 1.65 -0.63 2.95 6.08 0.00 -0.83 -1.11 105.19 113.29 2of9 n GLY 79 Ca -0.23 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2of9 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2of9 s GLN 80 N -0.07 0.30 -0.25 1.61 0.74 -0.75 -1.36 119.66 119.89 2of9 s GLN 80 Ca 0.00 -0.23 -0.17 0.00 0.05 0.00 0.00 55.36 55.00 2of9 s GLN 80 Cb 0.00 -0.23 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 2of9 s GLN 80 CO 0.00 0.06 0.48 0.00 -0.55 0.00 0.00 175.29 175.28 2of9 s PHE 82 N 2.07 3.04 -0.19 0.00 0.08 -0.20 -3.81 117.98 118.97 2of9 s PHE 82 Ca 0.20 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 2of9 s PHE 82 Cb -0.16 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 2of9 s PHE 82 CO 0.09 0.45 -0.12 0.42 -0.10 0.00 0.00 175.22 175.97 2of9 s ILE 83 N -1.12 2.77 0.63 0.64 1.01 -1.26 -1.44 121.20 122.43 2of9 s ILE 83 Ca 0.20 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 2of9 s ILE 83 Cb -0.11 -2.21 0.14 0.00 0.01 0.00 0.00 42.46 40.28 2of9 s ILE 83 CO 0.12 0.48 0.86 -0.90 0.00 0.00 0.00 174.94 175.50 2of9 n ASP 84 N 4.61 0.43 0.13 3.58 5.68 -0.23 -4.89 116.55 125.85 2of9 n ASP 84 Ca -0.19 -1.53 0.12 0.00 -0.50 0.00 0.00 54.79 52.69 2of9 n ASP 84 Cb 0.51 -0.63 0.49 0.00 -1.14 0.00 0.00 41.12 40.35 2of9 n ASP 84 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2of9 n ARG 85 N -2.75 0.21 -0.14 0.11 1.85 -1.26 -1.16 116.66 113.52 2of9 n ARG 85 Ca 0.12 0.41 0.12 0.00 -1.00 0.00 0.00 57.85 57.49 2of9 n ARG 85 Cb 0.42 -1.88 0.23 0.00 -1.05 0.00 0.00 32.46 30.18 2of9 n ARG 85 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2of9 n ASN 86 N -2.27 3.10 0.00 2.89 5.03 -1.26 -4.96 115.26 117.79 2of9 n ASN 86 Ca 0.02 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.53 2of9 n ASN 86 Cb 0.25 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 2of9 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2of9 n GLY 87 N 1.43 0.73 3.73 7.41 0.00 -0.31 -5.04 105.19 113.14 2of9 n GLY 87 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2of9 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2of9 s LYS 88 N -0.32 4.73 -0.14 1.61 2.20 -1.26 -4.74 119.74 121.82 2of9 s LYS 88 Ca 0.00 1.44 -0.07 0.00 -0.36 0.00 0.00 55.97 56.98 2of9 s LYS 88 Cb 0.00 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2of9 s LYS 88 CO 0.00 0.29 0.13 -1.21 -0.36 0.00 0.00 175.35 174.20 2of9 s GLU 89 N -0.28 3.62 -0.02 4.03 2.02 -1.26 -1.06 118.70 125.75 2of9 s GLU 89 Ca 0.45 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.29 2of9 s GLU 89 Cb -0.24 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2of9 s GLU 89 CO 0.30 0.63 -0.08 0.14 0.02 0.00 0.00 175.26 176.27 2of9 s VAL 90 N -0.62 0.71 -0.30 2.63 -7.23 -0.52 -4.40 120.40 110.68 2of9 s VAL 90 Ca 0.13 -0.34 -0.15 0.00 -1.81 0.00 0.00 61.98 59.81 2of9 s VAL 90 Cb -0.12 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2of9 s VAL 90 CO 0.02 0.22 0.38 -0.76 -0.31 0.00 0.00 175.10 174.65 2of9 s LEU 91 N 0.11 4.19 -0.31 1.32 1.43 -0.13 -1.03 118.68 124.25 2of9 s LEU 91 Ca -0.01 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 2of9 s LEU 91 Cb -0.07 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2of9 s LEU 91 CO 0.00 -0.26 0.22 -0.54 0.23 0.00 0.00 176.35 176.00 2of9 s LYS 92 N 2.08 3.75 0.12 1.70 -0.14 -0.72 -0.83 119.74 125.71 2of9 s LYS 92 Ca 0.14 -0.46 0.05 0.00 -1.36 0.00 0.00 55.97 54.35 2of9 s LYS 92 Cb -0.16 -3.73 -0.04 0.00 -1.68 0.00 0.00 37.83 32.23 2of9 s LYS 92 CO 0.11 -0.30 -0.13 0.95 -0.76 0.00 0.00 175.35 175.22 2of9 s THR 93 N 1.75 1.24 0.18 2.17 -4.23 -0.39 -1.81 115.64 114.55 2of9 s THR 93 Ca 0.07 -1.78 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 2of9 s THR 93 Cb -0.17 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 2of9 s THR 93 CO 0.11 -0.51 -0.21 -0.04 -0.54 0.00 0.00 174.62 173.43 2of9 s MET 94 N -2.91 1.40 0.05 3.99 -1.94 -0.27 -1.61 119.30 118.02 2of9 s MET 94 Ca 0.10 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 2of9 s MET 94 Cb -0.03 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.16 2of9 s MET 94 CO 0.02 0.34 -0.04 1.67 -0.01 0.00 0.00 175.02 177.00 2of9 s TRP 95 N -1.82 0.57 -0.08 -0.03 1.48 -0.09 -1.21 118.94 117.76 2of9 s TRP 95 Ca 0.18 -0.87 0.03 0.00 -1.06 0.00 0.00 56.10 54.39 2of9 s TRP 95 Cb -0.07 -0.38 0.01 0.00 -1.16 0.00 0.00 33.47 31.86 2of9 s TRP 95 CO 0.08 -0.26 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.03 2of9 s LEU 96 N -2.52 1.86 -0.31 -4.66 1.43 -0.39 -1.97 118.68 112.13 2of9 s LEU 96 Ca 0.02 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 2of9 s LEU 96 Cb 0.02 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 45.16 2of9 s LEU 96 CO -0.06 0.10 0.07 -0.22 0.23 0.00 0.00 176.35 176.46 2of9 s LEU 97 N 0.49 3.94 -0.30 1.79 2.96 0.02 -1.18 118.68 126.41 2of9 s LEU 97 Ca -0.16 -0.93 -0.16 0.00 -0.22 0.00 0.00 54.13 52.66 2of9 s LEU 97 Cb -0.17 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2of9 s LEU 97 CO 0.06 -0.24 0.40 -0.60 -1.32 0.00 0.00 176.35 174.66 2of9 s ARG 98 N 1.43 3.85 0.34 1.98 6.06 0.58 -0.99 118.95 132.20 2of9 s ARG 98 Ca 0.00 -0.08 -0.11 0.00 -2.50 0.00 0.00 55.73 53.05 2of9 s ARG 98 Cb -0.18 -3.71 -0.07 0.00 0.06 0.00 0.00 34.95 31.05 2of9 s ARG 98 CO 0.01 -0.40 0.70 -1.12 -2.50 0.00 0.00 175.30 171.99 2of9 s SER 99 N 1.68 6.58 -0.05 -2.12 0.01 0.13 -1.50 113.70 118.43 2of9 s SER 99 Ca 0.15 1.07 -0.29 0.00 1.31 0.00 0.00 55.95 58.20 2of9 s SER 99 Cb -0.16 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2of9 s SER 99 CO 0.11 -0.28 0.95 -0.55 0.41 0.00 0.00 173.24 173.89 2of9 s SER 100 N -2.83 7.28 0.30 2.44 0.15 -1.26 -4.86 113.70 114.91 2of9 s SER 100 Ca 0.50 1.56 0.10 0.00 0.70 0.00 0.00 55.95 58.81 2of9 s SER 100 Cb -0.10 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2of9 s SER 100 CO 0.26 -0.31 -0.04 0.68 1.20 0.00 0.00 173.24 175.04 2of9 s VAL 101 N 1.34 2.87 -0.07 4.45 -7.23 -1.26 -5.05 120.40 115.44 2of9 s VAL 101 Ca 0.49 -2.05 0.19 0.00 -1.81 0.00 0.00 61.98 58.80 2of9 s VAL 101 Cb -0.20 -2.70 0.16 0.00 0.56 0.00 0.00 36.38 34.20 2of9 s VAL 101 CO 0.23 -0.30 1.61 -1.13 -0.31 0.00 0.00 175.10 175.20 2of9 h ASN 102 N 1.93 0.00 -5.27 4.85 -1.24 -1.97 -3.47 115.58 110.42 2of9 h ASN 102 Ca -0.43 0.00 0.13 0.00 0.71 0.00 0.00 56.30 56.72 2of9 h ASN 102 Cb 1.25 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.25 2of9 h ASN 102 CO 0.63 0.34 0.46 1.51 -1.29 0.00 0.00 177.43 179.08 2of9 s ASP 103 N -6.34 -0.11 0.54 1.15 1.47 -1.26 -5.05 116.67 107.08 2of9 s ASP 103 Ca 0.03 -0.61 0.31 0.00 1.18 0.00 0.00 52.55 53.45 2of9 s ASP 103 Cb 0.08 0.57 1.55 0.00 -0.34 0.00 0.00 42.92 44.79 2of9 s ASP 103 CO 0.70 -1.09 2.09 -0.29 0.68 0.00 0.00 175.17 177.26 2of9 h ILE 104 N 2.00 0.41 0.00 2.11 2.10 -2.02 -1.66 117.51 120.45 2of9 h ILE 104 Ca -0.26 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.21 2of9 h ILE 104 Cb 1.23 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 2of9 h ILE 104 CO 0.30 0.09 0.00 0.77 -1.08 0.00 0.00 178.15 178.23 2of9 h SER 105 N 0.00 0.00 -0.03 2.19 4.64 -2.00 -1.90 113.55 116.45 2of9 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2of9 h SER 105 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2of9 h SER 105 CO 0.01 0.00 -0.04 -1.22 -0.87 0.00 0.00 176.83 174.71 2of9 n TYR 106 N -2.99 0.00 -0.26 4.77 4.01 -0.62 -4.58 117.16 117.49 2of9 n TYR 106 Ca -0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.85 2of9 n TYR 106 Cb 0.17 -0.00 0.39 0.00 -0.31 0.00 0.00 39.34 39.59 2of9 n TYR 106 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2of9 h ASP 107 N 4.49 0.63 -0.49 7.72 3.58 -1.42 -2.60 116.42 128.34 2of9 h ASP 107 Ca 0.00 0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.63 2of9 h ASP 107 Cb 0.97 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2of9 h ASP 107 CO 0.00 0.32 0.37 4.11 -2.88 0.00 0.00 179.24 181.17 2of9 h TRP 108 N 0.67 0.00 -0.55 0.28 5.08 -1.81 -2.03 115.95 117.60 2of9 h TRP 108 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.41 2of9 h TRP 108 Cb 0.72 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.88 2of9 h TRP 108 CO -0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 2of9 n LYS 109 N -4.27 2.64 0.00 0.12 2.85 -0.98 -4.63 118.16 113.89 2of9 n LYS 109 Ca 0.09 -2.39 0.14 0.00 -1.05 0.00 0.00 58.31 55.10 2of9 n LYS 109 Cb 0.59 -1.47 0.51 0.00 -0.65 0.00 0.00 35.03 34.00 2of9 n LYS 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2of9 n ALA 110 N 1.31 2.87 -4.04 0.58 0.00 -0.76 -4.82 120.51 115.64 2of9 n ALA 110 Ca 0.20 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 2of9 n ALA 110 Cb 0.56 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 2of9 n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2of9 s THR 111 N -2.40 1.72 0.15 0.00 2.01 -1.26 -0.70 115.64 115.16 2of9 s THR 111 Ca 0.29 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2of9 s THR 111 Cb 0.20 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2of9 s THR 111 CO 0.47 0.40 0.29 -0.13 -0.69 0.00 0.00 174.62 174.96 2of9 s ARG 112 N 1.41 3.44 0.08 4.92 0.52 -0.16 -4.94 118.95 124.22 2of9 s ARG 112 Ca 0.03 -0.58 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 2of9 s ARG 112 Cb -0.14 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 2of9 s ARG 112 CO -0.11 0.52 -0.15 0.54 0.02 0.00 0.00 175.30 176.13 2of9 s VAL 113 N -1.75 1.16 0.00 3.52 0.11 -1.26 -0.80 120.40 121.38 2of9 s VAL 113 Ca 0.35 -1.34 -0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2of9 s VAL 113 Cb -0.11 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 2of9 s VAL 113 CO 0.29 -0.22 0.01 0.61 -3.33 0.00 0.00 175.10 172.45 2of9 n GLY 114 N 1.24 1.22 3.46 6.54 0.00 -0.83 -5.00 105.19 111.81 2of9 n GLY 114 Ca -0.21 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 2of9 n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2of9 s TYR 115 N -5.61 2.04 -0.19 1.61 -0.85 -1.26 -0.92 117.35 112.17 2of9 s TYR 115 Ca 0.00 -0.70 -0.21 0.00 -0.52 0.00 0.00 57.07 55.64 2of9 s TYR 115 Cb -0.00 -1.20 0.06 0.00 0.38 0.00 0.00 41.96 41.19 2of9 s TYR 115 CO 0.00 0.30 0.58 -0.80 -1.52 0.00 0.00 175.55 174.11 2of9 s ASN 116 N -3.48 -0.60 -0.15 -0.18 0.02 -0.64 -4.90 114.94 105.02 2of9 s ASN 116 Ca 0.31 1.08 -0.03 0.00 -1.02 0.00 0.00 52.86 53.20 2of9 s ASN 116 Cb 0.04 1.09 -0.03 0.00 0.02 0.00 0.00 41.25 42.38 2of9 s ASN 116 CO 0.13 -0.26 -0.05 0.20 0.02 0.00 0.00 177.10 177.15 2of9 s ASN 117 N 0.08 4.72 -0.01 -1.22 0.01 -1.26 -1.26 114.94 116.00 2of9 s ASN 117 Ca -0.02 -0.13 0.06 0.00 -0.71 0.00 0.00 52.86 52.06 2of9 s ASN 117 Cb -0.04 -1.72 -0.03 0.00 0.41 0.00 0.00 41.25 39.88 2of9 s ASN 117 CO 0.02 0.19 -0.20 -0.36 -1.51 0.00 0.00 177.10 175.23 2of9 s PHE 118 N 0.25 2.50 0.22 2.20 0.08 -0.01 -2.27 117.98 120.95 2of9 s PHE 118 Ca -0.03 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.75 2of9 s PHE 118 Cb -0.14 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2of9 s PHE 118 CO 0.03 0.12 -0.02 0.95 -0.10 0.00 0.00 175.22 176.19 2of9 s THR 119 N -0.74 1.12 0.41 0.64 -4.23 -0.48 -0.96 115.64 111.40 2of9 s THR 119 Ca 0.12 -2.05 -0.24 0.00 -1.18 0.00 0.00 61.69 58.33 2of9 s THR 119 Cb -0.10 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.37 2of9 s THR 119 CO 0.01 -0.38 1.12 -0.13 -0.54 0.00 0.00 174.62 174.70 2of9 s ARG 120 N -3.83 4.05 0.09 3.99 0.52 -1.26 -1.07 118.95 121.44 2of9 s ARG 120 Ca 0.27 1.70 -0.22 0.00 -0.52 0.00 0.00 55.73 56.96 2of9 s ARG 120 Cb 0.05 -2.59 -0.12 0.00 0.52 0.00 0.00 34.95 32.81 2of9 s ARG 120 CO 0.08 -0.28 1.67 1.25 0.02 0.00 0.00 175.30 178.04 2of9 h LEU 121 N 2.50 0.12 -1.49 2.53 5.85 -1.45 -3.44 115.31 119.94 2of9 h LEU 121 Ca -0.49 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2of9 h LEU 121 Cb 1.23 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2of9 h LEU 121 CO 0.62 0.18 0.00 -0.24 -0.34 0.00 0.00 178.44 178.66