#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s SER 2 N 0.00 3.84 0.07 8.00 1.04 -1.26 -4.97 113.70 120.42 3g4s s SER 2 Ca 0.00 1.46 -0.23 0.00 0.48 0.00 0.00 55.95 57.67 3g4s s SER 2 Cb 0.00 -2.16 -0.14 0.00 0.10 0.00 0.00 66.02 63.81 3g4s s SER 2 CO 0.00 -2.40 1.62 0.50 0.98 0.00 0.00 173.24 173.94 3g4s h LYS 3 N -1.39 0.07 -0.22 4.02 3.64 -2.07 -2.95 116.57 117.67 3g4s h LYS 3 Ca -0.48 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3g4s h LYS 3 Cb 1.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3g4s h LYS 3 CO 0.56 0.18 0.16 0.87 -2.27 0.00 0.00 179.45 178.95 3g4s h LYS 4 N -0.06 0.00 -0.01 1.90 1.57 -2.01 -1.47 116.57 116.50 3g4s h LYS 4 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3g4s h LYS 4 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3g4s h LYS 4 CO -0.00 0.00 -0.64 -0.22 -0.57 0.00 0.00 179.45 178.02 3g4s h LYS 5 N 0.00 0.02 -0.19 3.15 1.63 -1.90 -3.10 116.57 116.18 3g4s h LYS 5 Ca 0.11 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 3g4s h LYS 5 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3g4s h LYS 5 CO -0.00 0.65 0.00 0.54 -3.45 0.00 0.00 179.45 177.19 3g4s n ARG 6 N -3.79 1.88 0.00 1.90 1.74 -0.56 -4.29 116.66 113.54 3g4s n ARG 6 Ca -0.01 -1.32 0.14 0.00 -0.77 0.00 0.00 57.85 55.89 3g4s n ARG 6 Cb 0.63 -1.42 0.68 0.00 -1.02 0.00 0.00 32.46 31.34 3g4s n ARG 6 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3g4s n GLN 7 N 0.55 0.20 -2.69 5.56 1.13 -1.17 -4.79 117.38 116.16 3g4s n GLN 7 Ca 0.17 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.80 3g4s n GLN 7 Cb 0.39 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 3g4s n GLN 7 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3g4s s ARG 8 N -2.80 4.34 0.00 -1.09 1.81 -1.26 -3.06 118.95 116.89 3g4s s ARG 8 Ca 0.21 1.34 0.00 0.00 -1.72 0.00 0.00 55.73 55.56 3g4s s ARG 8 Cb 0.20 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 3g4s s ARG 8 CO 0.50 -0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.07 3g4s n GLY 9 N 3.23 0.46 0.10 -3.53 0.00 -1.26 -4.94 105.19 99.25 3g4s n GLY 9 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3g4s n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g4s n SER 10 N 0.00 0.73 0.00 1.61 3.41 -1.17 -4.99 113.62 113.21 3g4s n SER 10 Ca 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3g4s n SER 10 Cb 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3g4s n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3g4s n ARG 11 N -1.16 0.00 0.00 4.33 0.63 -1.26 -4.01 116.66 115.20 3g4s n ARG 11 Ca 0.08 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.16 3g4s n ARG 11 Cb 0.34 0.00 0.68 0.00 0.45 0.00 0.00 32.46 33.93 3g4s n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3g4s n THR 12 N 0.00 0.00 -2.76 5.15 -2.24 -1.26 -4.96 114.28 108.21 3g4s n THR 12 Ca 0.00 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 3g4s n THR 12 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3g4s n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3g4s n HIS 13 N -1.28 -1.55 -0.60 4.78 8.25 -1.26 -1.26 115.22 122.30 3g4s n HIS 13 Ca 0.12 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 3g4s n HIS 13 Cb 0.27 -3.29 0.00 0.00 1.12 0.00 0.00 29.99 28.09 3g4s n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4s n GLY 14 N -1.05 0.72 0.66 -1.41 0.00 -1.26 -4.95 105.19 97.90 3g4s n GLY 14 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3g4s n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 15 N -2.47 0.55 6.45 -0.02 0.00 -0.39 -5.04 105.19 104.27 3g4s n GLY 15 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3g4s n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 16 N 1.19 1.95 3.88 -0.02 0.00 -1.26 -4.65 105.19 106.28 3g4s n GLY 16 Ca 0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3g4s n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4s s SER 17 N -4.00 6.52 0.00 1.61 0.15 -1.26 -4.82 113.70 111.90 3g4s s SER 17 Ca 0.00 1.00 0.14 0.00 0.70 0.00 0.00 55.95 57.80 3g4s s SER 17 Cb 0.00 -2.27 0.74 0.00 -1.71 0.00 0.00 66.02 62.79 3g4s s SER 17 CO 0.00 -0.30 1.36 0.00 1.20 0.00 0.00 173.24 175.50 3g4s n HIS 18 N -1.05 0.00 1.21 3.44 -0.00 -1.26 -1.85 115.22 115.71 3g4s n HIS 18 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.85 3g4s n HIS 18 Cb 0.54 -0.23 0.39 0.00 -0.00 0.00 0.00 29.99 30.69 3g4s n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3g4s n LYS 19 N -1.23 1.82 -0.03 -1.40 5.02 -1.26 -4.57 118.16 116.51 3g4s n LYS 19 Ca 0.08 -1.21 -0.02 0.00 -2.02 0.00 0.00 58.31 55.13 3g4s n LYS 19 Cb 0.10 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3g4s n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3g4s n ASN 20 N 0.44 0.89 -3.77 4.39 4.13 -0.77 -4.78 115.26 115.79 3g4s n ASN 20 Ca 0.17 0.43 -0.42 0.00 1.68 0.00 0.00 54.58 56.45 3g4s n ASN 20 Cb 0.38 -0.68 -0.04 0.00 -1.54 0.00 0.00 39.78 37.89 3g4s n ASN 20 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3g4s n ARG 21 N -3.42 1.84 0.00 3.52 1.74 -1.26 -4.69 116.66 114.39 3g4s n ARG 21 Ca -0.04 -2.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.94 3g4s n ARG 21 Cb 0.13 -3.09 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 3g4s n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g4s n ARG 22 N 7.01 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 124.56 3g4s n ARG 22 Ca 0.50 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3g4s n ARG 22 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 3g4s n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 23 N 5.00 1.57 0.03 -0.13 0.00 -1.26 -4.94 105.19 105.46 3g4s n GLY 23 Ca 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.34 3g4s n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s n ALA 24 N -3.00 1.41 -0.05 4.61 0.00 -1.26 -2.72 120.51 119.50 3g4s n ALA 24 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3g4s n ALA 24 Cb 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 3g4s n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g4s h GLY 25 N 1.49 0.84 2.00 0.00 0.00 -1.93 0.28 103.07 105.75 3g4s h GLY 25 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 3g4s h GLY 25 CO 0.00 0.90 -0.16 0.84 0.00 0.00 0.00 176.54 178.11 3g4s h HIS 26 N 0.58 0.00 0.04 5.60 6.17 -1.79 -2.51 115.15 123.24 3g4s h HIS 26 Ca 0.01 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.78 3g4s h HIS 26 Cb 1.16 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.06 3g4s h HIS 26 CO 0.06 0.16 -1.73 0.00 0.71 0.00 0.00 177.93 177.14 3g4s h ARG 27 N 0.00 0.08 0.00 5.26 3.08 -1.65 -3.49 114.38 117.67 3g4s h ARG 27 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3g4s h ARG 27 Cb 0.54 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3g4s h ARG 27 CO 0.02 0.73 0.00 0.41 -1.07 0.00 0.00 179.97 180.06 3g4s n GLY 28 N 1.66 1.23 0.00 0.04 0.00 0.47 -4.96 105.19 103.62 3g4s n GLY 28 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3g4s n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 29 N -1.60 0.80 3.09 -0.02 0.00 0.69 -4.63 105.19 103.53 3g4s n GLY 29 Ca 0.00 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 3g4s n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s s ARG 30 N -1.40 2.62 6.61 1.61 1.81 -1.26 -4.67 118.95 124.27 3g4s s ARG 30 Ca 0.00 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 3g4s s ARG 30 Cb 0.00 -2.24 0.00 0.00 -0.45 0.00 0.00 34.95 32.26 3g4s s ARG 30 CO 0.00 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 174.90 3g4s n GLY 31 N 4.43 2.11 0.54 -3.53 0.00 -1.26 -2.29 105.19 105.20 3g4s n GLY 31 Ca -0.19 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3g4s n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4s n ASP 32 N 10.63 1.69 -4.58 1.61 10.43 -1.26 -5.01 116.55 130.06 3g4s n ASP 32 Ca 0.00 -1.59 -0.43 0.00 2.57 0.00 0.00 54.79 55.34 3g4s n ASP 32 Cb 0.00 -0.02 -0.01 0.00 1.84 0.00 0.00 41.12 42.93 3g4s n ASP 32 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g4s n ALA 33 N 0.32 -0.29 -1.21 2.24 0.00 -0.97 -3.29 120.51 117.31 3g4s n ALA 33 Ca 0.18 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.93 3g4s n ALA 33 Cb 0.37 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 3g4s n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 34 N 1.28 0.45 0.26 0.00 0.00 -1.26 -4.75 105.19 101.17 3g4s n GLY 34 Ca 0.10 -1.00 0.18 0.00 0.00 0.00 0.00 46.02 45.30 3g4s n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g4s h ARG 35 N 0.00 0.00 0.00 1.61 -0.00 -1.74 -2.27 114.38 111.98 3g4s h ARG 35 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.75 3g4s h ARG 35 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.18 3g4s h ARG 35 CO 0.04 0.00 -1.79 -0.40 -0.00 0.00 0.00 179.97 177.82 3g4s n ASP 36 N -2.73 2.39 0.00 0.08 5.75 -1.26 -3.96 116.55 116.82 3g4s n ASP 36 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 3g4s n ASP 36 Cb 0.06 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3g4s n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3g4s n LYS 37 N -2.55 0.00 0.27 0.11 4.76 -1.15 -4.43 118.16 115.17 3g4s n LYS 37 Ca -0.20 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.41 3g4s n LYS 37 Cb 0.84 0.00 0.70 0.00 -1.84 0.00 0.00 35.03 34.73 3g4s n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3g4s h HIS 38 N 0.00 0.00 -1.53 2.13 2.07 -1.95 -3.26 115.15 112.61 3g4s h HIS 38 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 3g4s h HIS 38 Cb 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 3g4s h HIS 38 CO 0.00 0.00 -0.64 0.39 -3.07 0.00 0.00 177.93 174.61 3g4s n GLU 39 N -3.00 3.40 0.08 5.12 1.02 -0.87 -4.72 120.64 121.68 3g4s n GLU 39 Ca 0.01 -4.45 0.13 0.00 -0.02 0.00 0.00 57.16 52.82 3g4s n GLU 39 Cb 0.28 -2.25 0.37 0.00 -0.02 0.00 0.00 31.44 29.82 3g4s n GLU 39 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3g4s n PHE 40 N -0.49 0.72 -1.89 -0.32 1.16 -1.23 -4.34 117.46 111.07 3g4s n PHE 40 Ca 0.40 0.21 -0.42 0.00 -1.87 0.00 0.00 57.45 55.77 3g4s n PHE 40 Cb 0.64 -0.81 -0.03 0.00 -1.61 0.00 0.00 39.48 37.68 3g4s n PHE 40 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 3g4s s HIS 41 N -3.10 2.68 -1.50 2.97 0.09 -1.26 -3.20 115.29 111.97 3g4s s HIS 41 Ca 0.10 0.40 -0.12 0.00 -0.00 0.00 0.00 55.06 55.44 3g4s s HIS 41 Cb 0.13 -3.99 0.07 0.00 -0.00 0.00 0.00 32.58 28.80 3g4s s HIS 41 CO 0.62 -3.84 0.99 0.09 -0.00 0.00 0.00 174.74 172.60 3g4s n ASN 42 N 4.84 -4.76 -4.20 1.40 4.13 -1.26 -5.00 115.26 110.40 3g4s n ASN 42 Ca 0.15 -0.75 -0.23 0.00 1.68 0.00 0.00 54.58 55.43 3g4s n ASN 42 Cb 0.39 -4.03 -0.14 0.00 -1.54 0.00 0.00 39.78 34.46 3g4s n ASN 42 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3g4s s HIS 43 N -3.33 1.54 0.35 3.10 3.76 -1.19 -5.14 115.29 114.37 3g4s s HIS 43 Ca 0.61 -0.36 -0.25 0.00 -0.15 0.00 0.00 55.06 54.91 3g4s s HIS 43 Cb -0.30 -0.92 -0.10 0.00 1.11 0.00 0.00 32.58 32.37 3g4s s HIS 43 CO 0.82 0.06 0.96 -1.21 -0.85 0.00 0.00 174.74 174.52 3g4s s GLU 44 N -1.11 4.48 1.02 1.40 2.02 -1.26 -5.04 118.70 120.21 3g4s s GLU 44 Ca 0.05 1.33 -0.13 0.00 0.02 0.00 0.00 54.97 56.24 3g4s s GLU 44 Cb -0.08 -2.69 0.15 0.00 0.10 0.00 0.00 34.13 31.61 3g4s s GLU 44 CO 0.01 0.18 0.74 -0.35 0.02 0.00 0.00 175.26 175.86 3g4s n PRO 45 N 0.32 -1.08 -2.48 0.39 -0.04 -1.26 -4.96 135.00 125.88 3g4s n PRO 45 Ca 0.03 -0.27 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 3g4s n PRO 45 Cb 0.50 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 3g4s n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g4s s LEU 46 N -4.44 4.40 0.00 1.53 1.43 -1.26 -4.95 118.68 115.39 3g4s s LEU 46 Ca 0.63 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 3g4s s LEU 46 Cb -0.21 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3g4s s LEU 46 CO 0.64 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3g4s n GLY 47 N 2.84 2.81 3.81 -3.19 0.00 -1.26 -5.12 105.19 105.09 3g4s n GLY 47 Ca 0.07 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 3g4s n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4s s LYS 48 N -1.84 3.20 -0.10 1.61 1.02 -1.26 -5.12 119.74 117.25 3g4s s LYS 48 Ca 0.00 -0.37 -0.00 0.00 0.02 0.00 0.00 55.97 55.62 3g4s s LYS 48 Cb 0.00 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3g4s s LYS 48 CO 0.00 0.69 -0.08 0.45 -0.92 0.00 0.00 175.35 175.49 3g4s s SER 49 N -1.51 2.03 0.89 2.83 0.15 -1.26 -5.11 113.70 111.71 3g4s s SER 49 Ca 0.21 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3g4s s SER 49 Cb -0.12 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 3g4s s SER 49 CO 0.11 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3g4s n GLY 50 N 4.76 0.78 3.30 9.45 0.00 -1.26 -4.98 105.19 117.25 3g4s n GLY 50 Ca -0.14 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 3g4s n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g4s s PHE 51 N 0.00 0.34 0.07 1.61 -0.12 -1.26 -5.17 117.98 113.44 3g4s s PHE 51 Ca 0.00 -0.72 0.10 0.00 -0.05 0.00 0.00 56.93 56.26 3g4s s PHE 51 Cb 0.00 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3g4s s PHE 51 CO 0.00 -0.68 -0.26 0.15 -0.05 0.00 0.00 175.22 174.38 3g4s s LYS 52 N -3.94 1.69 -0.02 1.99 1.02 -1.26 -5.14 119.74 114.08 3g4s s LYS 52 Ca 0.14 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.94 3g4s s LYS 52 Cb 0.04 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3g4s s LYS 52 CO -0.03 0.49 0.12 1.03 -0.92 0.00 0.00 175.35 176.05 3g4s s ARG 53 N -1.46 3.24 0.09 1.68 0.52 -1.26 -5.05 118.95 116.71 3g4s s ARG 53 Ca 0.12 -0.39 -0.36 0.00 -0.52 0.00 0.00 55.73 54.58 3g4s s ARG 53 Cb -0.10 -2.98 -0.17 0.00 0.52 0.00 0.00 34.95 32.23 3g4s s ARG 53 CO 0.03 0.67 1.30 -0.35 0.02 0.00 0.00 175.30 176.97 3g4s n PRO 54 N 1.19 1.09 -0.05 3.54 -0.04 -1.26 -4.86 135.00 134.60 3g4s n PRO 54 Ca -0.13 0.39 0.25 0.00 -0.04 0.00 0.00 63.50 63.97 3g4s n PRO 54 Cb 0.53 -2.01 0.72 0.00 -0.04 0.00 0.00 33.50 32.70 3g4s n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3g4s h GLN 55 N 4.30 0.00 -0.00 0.54 4.20 -1.97 -0.77 115.11 121.41 3g4s h GLN 55 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3g4s h GLN 55 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 3g4s h GLN 55 CO 0.76 0.00 -0.28 0.36 -0.67 0.00 0.00 178.83 179.00 3g4s n LYS 56 N -3.98 0.43 -0.27 1.46 2.85 -1.26 -3.30 118.16 114.09 3g4s n LYS 56 Ca 0.13 -0.21 0.08 0.00 -1.05 0.00 0.00 58.31 57.26 3g4s n LYS 56 Cb 0.83 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.94 3g4s n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3g4s n VAL 57 N -1.10 1.05 -3.70 0.58 0.31 -0.31 -4.94 118.33 110.22 3g4s n VAL 57 Ca 0.10 -1.02 -0.36 0.00 -0.01 0.00 0.00 64.34 63.05 3g4s n VAL 57 Cb 0.33 0.48 -0.09 0.00 -0.91 0.00 0.00 33.84 33.64 3g4s n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3g4s s GLN 58 N -1.06 4.07 -0.18 5.55 -0.21 -1.16 -4.96 119.66 121.72 3g4s s GLN 58 Ca 0.34 -0.27 -0.15 0.00 0.02 0.00 0.00 55.36 55.30 3g4s s GLN 58 Cb 0.18 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 3g4s s GLN 58 CO 0.23 0.11 0.35 -1.21 -2.12 0.00 0.00 175.29 172.65 3g4s s GLU 59 N 0.91 4.22 -0.27 2.91 2.02 -1.26 -5.04 118.70 122.19 3g4s s GLU 59 Ca 0.07 0.16 -0.01 0.00 0.02 0.00 0.00 54.97 55.20 3g4s s GLU 59 Cb -0.13 -3.48 0.04 0.00 0.10 0.00 0.00 34.13 30.66 3g4s s GLU 59 CO 0.03 0.10 -0.03 -2.00 0.02 0.00 0.00 175.26 173.37 3g4s s GLU 60 N 0.89 2.60 0.43 1.61 2.12 -1.26 -5.03 118.70 120.06 3g4s s GLU 60 Ca 0.18 -1.14 -0.06 0.00 0.36 0.00 0.00 54.97 54.31 3g4s s GLU 60 Cb -0.14 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3g4s s GLU 60 CO 0.06 -0.52 0.74 0.00 -0.54 0.00 0.00 175.26 175.01 3g4s s ALA 61 N 1.28 3.43 -0.56 6.30 0.00 -1.26 -1.36 121.76 129.59 3g4s s ALA 61 Ca -0.03 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 3g4s s ALA 61 Cb -0.18 -2.56 0.12 0.00 0.00 0.00 0.00 23.12 20.50 3g4s s ALA 61 CO -0.03 -0.16 0.55 0.00 0.00 0.00 0.00 175.76 176.13 3g4s s ALA 62 N -2.52 3.60 0.06 0.00 0.00 -0.85 -4.95 121.76 117.10 3g4s s ALA 62 Ca 0.48 -2.48 -0.27 0.00 0.00 0.00 0.00 51.96 49.69 3g4s s ALA 62 Cb -0.10 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3g4s s ALA 62 CO 0.38 -2.10 0.86 0.95 0.00 0.00 0.00 175.76 175.85 3g4s s THR 63 N 1.84 4.66 -0.22 0.00 -4.23 -1.26 -2.50 115.64 113.93 3g4s s THR 63 Ca 0.05 1.83 -0.11 0.00 -1.18 0.00 0.00 61.69 62.28 3g4s s THR 63 Cb -0.28 -4.21 0.07 0.00 1.34 0.00 0.00 72.50 69.42 3g4s s THR 63 CO 0.04 0.33 0.51 -0.51 -0.54 0.00 0.00 174.62 174.45 3g4s s ILE 64 N 0.08 -0.17 0.43 2.99 2.07 -1.22 -5.03 121.20 120.35 3g4s s ILE 64 Ca 0.43 0.07 -0.14 0.00 -1.41 0.00 0.00 60.65 59.60 3g4s s ILE 64 Cb -0.22 -0.77 -0.08 0.00 0.13 0.00 0.00 42.46 41.53 3g4s s ILE 64 CO 0.26 0.03 0.85 -1.81 -1.91 0.00 0.00 174.94 172.36 3g4s s ASP 65 N 1.74 6.62 0.50 4.50 1.01 -1.26 -0.23 116.67 129.55 3g4s s ASP 65 Ca -0.08 1.34 0.33 0.00 0.71 0.00 0.00 52.55 54.84 3g4s s ASP 65 Cb -0.08 -2.41 1.47 0.00 1.01 0.00 0.00 42.92 42.91 3g4s s ASP 65 CO -0.15 -0.44 1.98 -0.37 0.21 0.00 0.00 175.17 176.40 3g4s h VAL 66 N 1.20 0.00 -0.20 -1.27 -1.51 -1.37 -2.48 116.25 110.62 3g4s h VAL 66 Ca -0.47 -0.32 -0.15 0.00 -1.23 0.00 0.00 66.70 64.52 3g4s h VAL 66 Cb 1.18 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3g4s h VAL 66 CO 0.63 0.00 -0.51 -0.09 -1.23 0.00 0.00 177.57 176.37 3g4s h ARG 67 N 0.00 0.55 -0.15 5.19 2.43 -1.73 -2.35 114.38 118.32 3g4s h ARG 67 Ca 0.00 -0.33 -0.19 0.00 -0.81 0.00 0.00 59.98 58.65 3g4s h ARG 67 Cb 0.35 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3g4s h ARG 67 CO 0.00 0.93 -0.68 1.49 -1.51 0.00 0.00 179.97 180.20 3g4s h GLU 68 N 0.43 0.62 -0.36 0.20 4.81 -1.75 -1.61 114.58 116.92 3g4s h GLU 68 Ca 0.02 -0.47 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 3g4s h GLU 68 Cb 1.04 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3g4s h GLU 68 CO 0.10 1.09 -0.34 0.82 -0.73 0.00 0.00 179.01 179.94 3g4s h ILE 69 N 0.44 1.28 0.01 2.32 2.04 -1.53 -3.02 117.51 119.05 3g4s h ILE 69 Ca -0.02 -1.51 -0.27 0.00 1.00 0.00 0.00 64.86 64.06 3g4s h ILE 69 Cb 1.27 1.37 0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3g4s h ILE 69 CO 0.13 0.50 -1.05 -0.78 0.00 0.00 0.00 178.15 176.95 3g4s h ASP 70 N 0.68 0.90 -0.10 1.72 3.58 -1.40 -3.25 116.42 118.54 3g4s h ASP 70 Ca 0.07 -0.73 -0.04 0.00 0.42 0.00 0.00 57.03 56.75 3g4s h ASP 70 Cb 0.90 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 3g4s h ASP 70 CO 0.08 1.53 -0.06 -0.33 -2.88 0.00 0.00 179.24 177.58 3g4s h GLU 71 N 0.39 0.35 -2.68 0.28 5.08 -1.34 -3.29 114.58 113.36 3g4s h GLU 71 Ca -0.13 -0.07 -0.69 0.00 -1.00 0.00 0.00 59.36 57.46 3g4s h GLU 71 Cb 1.71 -0.05 -0.36 0.00 0.50 0.00 0.00 28.75 30.54 3g4s h GLU 71 CO 0.21 0.43 -0.03 0.09 -1.00 0.00 0.00 179.01 178.71 3g4s n ASN 72 N -4.30 4.73 -0.05 1.42 3.02 -1.14 -4.69 115.26 114.26 3g4s n ASN 72 Ca 0.00 -3.37 -0.07 0.00 -0.03 0.00 0.00 54.58 51.12 3g4s n ASN 72 Cb 0.24 -0.95 -0.04 0.00 -0.61 0.00 0.00 39.78 38.42 3g4s n ASN 72 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3g4s n VAL 73 N 1.32 0.55 0.15 2.41 0.24 -1.24 -4.18 118.33 117.58 3g4s n VAL 73 Ca 0.27 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3g4s n VAL 73 Cb 0.37 -0.84 0.24 0.00 -1.47 0.00 0.00 33.84 32.15 3g4s n VAL 73 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3g4s h THR 74 N 0.00 1.37 0.00 3.34 1.35 -1.88 -2.78 112.91 114.32 3g4s h THR 74 Ca -0.21 -1.77 -0.06 0.00 -0.55 0.00 0.00 66.41 63.81 3g4s h THR 74 Cb 1.34 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 3g4s h THR 74 CO -0.03 0.51 -0.54 -0.07 -0.25 0.00 0.00 175.52 175.13 3g4s h LEU 75 N 0.01 0.00 -6.61 3.87 3.38 -1.89 -3.38 115.31 110.70 3g4s h LEU 75 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 3g4s h LEU 75 Cb 0.92 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.34 3g4s h LEU 75 CO 0.07 0.25 0.35 0.18 0.09 0.00 0.00 178.44 179.37 3g4s n LEU 76 N -3.04 5.64 -1.11 1.67 4.77 -1.05 -4.76 117.00 119.12 3g4s n LEU 76 Ca 0.01 -5.31 0.12 0.00 -0.03 0.00 0.00 56.01 50.79 3g4s n LEU 76 Cb 0.64 -1.06 0.25 0.00 -2.33 0.00 0.00 43.42 40.92 3g4s n LEU 76 CO 0.38 1.85 0.72 0.00 -1.33 0.00 0.00 177.39 179.02 3g4s n ALA 77 N 1.04 2.43 1.32 -1.18 0.00 -1.26 -4.08 120.51 118.77 3g4s n ALA 77 Ca 0.29 -0.98 0.14 0.00 0.00 0.00 0.00 53.44 52.88 3g4s n ALA 77 Cb 0.35 -0.92 0.53 0.00 0.00 0.00 0.00 19.45 19.42 3g4s n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g4s n ALA 78 N 1.37 2.86 -2.36 0.00 0.00 -1.26 -4.84 120.51 116.28 3g4s n ALA 78 Ca 0.20 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 3g4s n ALA 78 Cb 0.57 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3g4s n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g4s s ASP 79 N -2.54 5.16 0.31 0.00 -0.00 -1.26 -5.09 116.67 113.25 3g4s s ASP 79 Ca 0.26 -0.62 -0.29 0.00 -0.00 0.00 0.00 52.55 51.89 3g4s s ASP 79 Cb 0.20 -0.77 -0.12 0.00 -0.00 0.00 0.00 42.92 42.23 3g4s s ASP 79 CO 0.50 -0.50 1.47 0.47 -0.00 0.00 0.00 175.17 177.10 3g4s n ASP 80 N -1.46 3.35 -4.13 0.27 9.92 -1.09 -4.97 116.55 118.44 3g4s n ASP 80 Ca 0.01 1.17 -0.34 0.00 -0.53 0.00 0.00 54.79 55.10 3g4s n ASP 80 Cb 0.61 -1.54 -0.14 0.00 -0.64 0.00 0.00 41.12 39.41 3g4s n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3g4s s VAL 81 N -0.45 2.84 0.00 2.53 1.01 -1.26 -1.89 120.40 123.18 3g4s s VAL 81 Ca 0.61 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3g4s s VAL 81 Cb -0.54 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3g4s s VAL 81 CO 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.41 3g4s n ALA 82 N 4.55 0.00 0.82 5.51 0.00 -1.26 -4.90 120.51 125.23 3g4s n ALA 82 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.45 3g4s n ALA 82 Cb 0.43 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.37 3g4s n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3g4s n GLU 83 N 0.00 0.05 -4.12 0.00 0.28 -1.26 -5.00 120.64 110.59 3g4s n GLU 83 Ca 0.00 0.11 -0.34 0.00 -0.16 0.00 0.00 57.16 56.77 3g4s n GLU 83 Cb 0.00 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.22 3g4s n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3g4s s PHE 89 N -2.93 2.86 -0.37 -1.84 0.40 -0.45 -5.15 117.98 110.50 3g4s s PHE 89 Ca 0.12 -1.19 -0.18 0.00 -0.60 0.00 0.00 56.93 55.09 3g4s s PHE 89 Cb 0.15 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.69 3g4s s PHE 89 CO 0.40 -0.61 0.49 0.50 0.70 0.00 0.00 175.22 176.70 3g4s s ARG 90 N 1.26 3.46 -0.04 0.44 3.52 -0.79 0.66 118.95 127.45 3g4s s ARG 90 Ca 0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 3g4s s ARG 90 Cb -0.14 -3.86 0.03 0.00 -1.56 0.00 0.00 34.95 29.42 3g4s s ARG 90 CO -0.06 -0.72 -0.01 0.54 -0.81 0.00 0.00 175.30 174.25 3g4s s VAL 91 N 2.34 0.28 -0.48 7.11 0.11 -0.07 -2.66 120.40 127.02 3g4s s VAL 91 Ca 0.17 0.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.03 3g4s s VAL 91 Cb -0.16 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.35 3g4s s VAL 91 CO 0.14 0.18 0.90 -0.62 -3.33 0.00 0.00 175.10 172.37 3g4s s ASP 92 N 1.19 6.43 0.54 3.54 2.15 -1.26 -1.98 116.67 127.28 3g4s s ASP 92 Ca -0.07 -0.07 0.24 0.00 0.43 0.00 0.00 52.55 53.08 3g4s s ASP 92 Cb -0.13 -2.43 1.50 0.00 -0.30 0.00 0.00 42.92 41.56 3g4s s ASP 92 CO -0.02 -1.07 2.16 0.58 -0.17 0.00 0.00 175.17 176.65 3g4s h VAL 93 N 6.04 0.73 0.00 1.11 2.07 -1.39 -2.46 116.25 122.36 3g4s h VAL 93 Ca -0.25 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3g4s h VAL 93 Cb 1.08 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3g4s h VAL 93 CO 1.03 0.05 -0.06 0.03 0.02 0.00 0.00 177.57 178.64 3g4s h ARG 94 N 0.00 0.00 -0.72 1.57 3.08 -1.92 -1.67 114.38 114.72 3g4s h ARG 94 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g4s h ARG 94 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3g4s h ARG 94 CO 0.01 0.06 0.00 -0.25 -1.07 0.00 0.00 179.97 178.72 3g4s n ASP 95 N -4.06 3.93 -0.09 7.04 8.00 -0.93 -4.41 116.55 126.04 3g4s n ASP 95 Ca -0.03 -2.00 -0.15 0.00 0.71 0.00 0.00 54.79 53.32 3g4s n ASP 95 Cb 0.14 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 3g4s n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3g4s n VAL 96 N 1.62 0.96 -2.29 2.53 0.31 -0.65 -5.01 118.33 115.80 3g4s n VAL 96 Ca 0.24 -0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 3g4s n VAL 96 Cb 0.62 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 3g4s n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3g4s s VAL 97 N -2.33 3.28 0.49 2.52 1.01 -1.11 -5.04 120.40 119.23 3g4s s VAL 97 Ca -0.24 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 3g4s s VAL 97 Cb 0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3g4s s VAL 97 CO 0.34 0.20 0.83 -1.61 0.00 0.00 0.00 175.10 174.87 3g4s s GLU 98 N -0.62 3.61 -1.09 2.72 2.02 -1.26 -4.11 118.70 119.97 3g4s s GLU 98 Ca 0.52 0.37 -0.01 0.00 0.02 0.00 0.00 54.97 55.88 3g4s s GLU 98 Cb -0.35 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3g4s s GLU 98 CO 0.40 -0.24 0.10 0.39 0.02 0.00 0.00 175.26 175.94 3g4s n GLU 99 N -2.13 -1.59 0.00 1.61 1.02 -1.26 -4.93 120.64 113.36 3g4s n GLU 99 Ca 0.02 0.62 0.16 0.00 -0.02 0.00 0.00 57.16 57.94 3g4s n GLU 99 Cb 0.55 -4.84 0.85 0.00 -0.02 0.00 0.00 31.44 27.98 3g4s n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g4s n ALA 100 N -1.97 2.66 -0.10 0.62 0.00 -1.26 -3.96 120.51 116.51 3g4s n ALA 100 Ca -0.13 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 3g4s n ALA 100 Cb 0.61 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 3g4s n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g4s n ASP 101 N -0.80 1.85 -1.25 0.00 8.00 -1.26 -4.40 116.55 118.70 3g4s n ASP 101 Ca 0.22 0.47 -0.01 0.00 0.71 0.00 0.00 54.79 56.18 3g4s n ASP 101 Cb 0.17 -0.95 0.16 0.00 -0.02 0.00 0.00 41.12 40.48 3g4s n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3g4s n ASP 102 N -4.47 3.21 -4.59 -2.24 5.75 -1.26 -4.89 116.55 108.07 3g4s n ASP 102 Ca -0.27 -2.51 -0.30 0.00 -0.01 0.00 0.00 54.79 51.70 3g4s n ASP 102 Cb 0.60 -0.60 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 3g4s n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g4s s ALA 103 N -1.71 2.98 0.00 2.12 0.00 -1.25 -5.00 121.76 118.90 3g4s s ALA 103 Ca 0.25 -1.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 3g4s s ALA 103 Cb 0.20 -0.97 -0.14 0.00 0.00 0.00 0.00 23.12 22.20 3g4s s ALA 103 CO 0.07 0.64 1.08 -0.44 0.00 0.00 0.00 175.76 177.10 3g4s h ASP 104 N 3.88 -0.60 -5.10 0.00 3.32 -1.56 -3.48 116.42 112.88 3g4s h ASP 104 Ca -0.48 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 3g4s h ASP 104 Cb 1.17 0.16 -0.16 0.00 0.22 0.00 0.00 39.33 40.71 3g4s h ASP 104 CO 0.53 -0.22 -0.34 -0.72 -1.72 0.00 0.00 179.24 176.78 3g4s s TYR 105 N -4.46 0.05 -0.42 4.55 -0.85 -1.26 -5.07 117.35 109.89 3g4s s TYR 105 Ca -0.13 -0.34 -0.20 0.00 -0.52 0.00 0.00 57.07 55.88 3g4s s TYR 105 Cb 0.02 -0.00 0.02 0.00 0.38 0.00 0.00 41.96 42.37 3g4s s TYR 105 CO 0.44 -0.50 0.60 0.08 -1.52 0.00 0.00 175.55 174.64 3g4s s VAL 106 N -3.15 4.89 -0.16 -3.49 1.01 -1.26 -2.00 120.40 116.23 3g4s s VAL 106 Ca -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3g4s s VAL 106 Cb 0.02 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3g4s s VAL 106 CO -0.07 -0.51 -0.03 -0.75 0.00 0.00 0.00 175.10 173.74 3g4s s LYS 107 N 2.66 3.67 -0.29 2.72 2.20 -1.04 -1.82 119.74 127.84 3g4s s LYS 107 Ca 0.21 -0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 55.16 3g4s s LYS 107 Cb -0.15 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.19 3g4s s LYS 107 CO 0.17 0.21 0.34 0.08 -0.36 0.00 0.00 175.35 175.79 3g4s s VAL 108 N 0.46 5.19 0.13 4.02 1.01 -0.39 -3.43 120.40 127.40 3g4s s VAL 108 Ca -0.03 0.39 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 3g4s s VAL 108 Cb -0.14 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3g4s s VAL 108 CO 0.03 0.12 0.41 -0.76 0.00 0.00 0.00 175.10 174.90 3g4s s LEU 109 N 2.01 4.28 -1.06 3.92 1.43 0.68 -3.33 118.68 126.62 3g4s s LEU 109 Ca 0.13 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 53.89 3g4s s LEU 109 Cb -0.16 -3.24 0.27 0.00 0.03 0.00 0.00 46.19 43.09 3g4s s LEU 109 CO 0.11 0.08 1.06 0.61 0.23 0.00 0.00 176.35 178.44 3g4s n GLY 110 N 0.39 4.27 2.91 -3.19 0.00 -1.26 -1.53 105.19 106.78 3g4s n GLY 110 Ca -0.04 -2.60 -0.23 0.00 0.00 0.00 0.00 46.02 43.14 3g4s n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 111 N -1.44 1.01 0.00 4.61 0.00 -1.26 -4.66 121.76 120.02 3g4s s ALA 111 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3g4s s ALA 111 Cb -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3g4s s ALA 111 CO -0.08 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3g4s n GLY 112 N 4.40 -0.08 3.56 0.00 0.00 -1.26 -2.89 105.19 108.92 3g4s n GLY 112 Ca -0.18 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.45 3g4s n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g4s s GLN 113 N 0.00 2.00 -0.36 1.61 -0.21 -1.26 -4.92 119.66 116.51 3g4s s GLN 113 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 55.36 53.85 3g4s s GLN 113 Cb 0.00 -2.00 0.11 0.00 1.00 0.00 0.00 33.01 32.12 3g4s s GLN 113 CO 0.00 0.36 0.15 0.08 -2.12 0.00 0.00 175.29 173.76 3g4s s VAL 114 N -2.28 1.17 -2.00 1.09 1.01 -1.26 -4.36 120.40 113.77 3g4s s VAL 114 Ca 0.29 -1.93 0.29 0.00 0.00 0.00 0.00 61.98 60.63 3g4s s VAL 114 Cb -0.06 -1.86 0.57 0.00 0.00 0.00 0.00 36.38 35.03 3g4s s VAL 114 CO 0.17 -0.76 1.88 0.54 0.00 0.00 0.00 175.10 176.92 3g4s n ARG 115 N 4.27 1.08 -4.56 2.72 1.74 -1.26 -4.88 116.66 115.77 3g4s n ARG 115 Ca 0.03 -0.43 -0.26 0.00 -0.77 0.00 0.00 57.85 56.42 3g4s n ARG 115 Cb 0.39 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 3g4s n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3g4s s HIS 116 N -2.22 2.06 -0.26 -1.55 3.76 -1.26 -5.13 115.29 110.69 3g4s s HIS 116 Ca 0.36 -0.94 -0.14 0.00 -0.15 0.00 0.00 55.06 54.18 3g4s s HIS 116 Cb 0.21 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 3g4s s HIS 116 CO 0.41 0.10 0.33 -1.83 -0.85 0.00 0.00 174.74 172.91 3g4s s GLU 117 N -3.81 4.04 -0.00 1.40 -1.05 -1.26 -4.81 118.70 113.21 3g4s s GLU 117 Ca 0.29 -0.01 0.04 0.00 -0.15 0.00 0.00 54.97 55.14 3g4s s GLU 117 Cb 0.07 -3.62 -0.01 0.00 -0.44 0.00 0.00 34.13 30.12 3g4s s GLU 117 CO 0.14 -0.19 -0.14 -0.51 0.95 0.00 0.00 175.26 175.51 3g4s s LEU 118 N 1.79 2.05 -0.48 1.83 1.43 -1.26 -1.34 118.68 122.70 3g4s s LEU 118 Ca 0.14 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3g4s s LEU 118 Cb -0.15 -0.70 0.13 0.00 0.03 0.00 0.00 46.19 45.49 3g4s s LEU 118 CO 0.09 0.15 0.26 -0.89 0.23 0.00 0.00 176.35 176.20 3g4s s THR 119 N -0.39 3.24 -0.08 5.49 2.01 0.21 -3.11 115.64 123.00 3g4s s THR 119 Ca 0.05 -2.47 -0.19 0.00 0.31 0.00 0.00 61.69 59.38 3g4s s THR 119 Cb -0.06 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3g4s s THR 119 CO -0.00 -0.75 0.52 -0.76 -0.69 0.00 0.00 174.62 172.94 3g4s s LEU 120 N 0.62 4.32 -0.25 4.42 1.43 -1.07 -0.90 118.68 127.25 3g4s s LEU 120 Ca 0.12 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 3g4s s LEU 120 Cb -0.22 -2.78 0.06 0.00 0.03 0.00 0.00 46.19 43.29 3g4s s LEU 120 CO -0.04 0.02 -0.10 -0.63 0.23 0.00 0.00 176.35 175.84 3g4s s ILE 121 N 0.40 2.02 0.28 -0.59 1.01 -0.84 -1.34 121.20 122.15 3g4s s ILE 121 Ca 0.28 -1.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 3g4s s ILE 121 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3g4s s ILE 121 CO 0.13 -0.05 0.50 0.00 0.00 0.00 0.00 174.94 175.52 3g4s s ALA 122 N 1.17 -0.01 -0.05 9.38 0.00 -1.22 -0.87 121.76 130.15 3g4s s ALA 122 Ca -0.08 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 3g4s s ALA 122 Cb -0.20 1.06 -0.21 0.00 0.00 0.00 0.00 23.12 23.78 3g4s s ALA 122 CO -0.05 -0.85 1.09 -0.44 0.00 0.00 0.00 175.76 175.51 3g4s h ASP 123 N 2.20 -0.04 -4.24 0.00 3.32 -1.84 -2.54 116.42 113.27 3g4s h ASP 123 Ca -0.27 -0.56 -0.38 0.00 0.02 0.00 0.00 57.03 55.84 3g4s h ASP 123 Cb 1.25 0.01 -0.26 0.00 0.22 0.00 0.00 39.33 40.55 3g4s h ASP 123 CO 0.37 0.56 -0.77 -0.62 -1.72 0.00 0.00 179.24 177.06 3g4s s ASP 124 N -5.75 1.15 0.12 6.45 2.15 -0.75 -4.21 116.67 115.83 3g4s s ASP 124 Ca -0.16 -0.32 0.06 0.00 0.43 0.00 0.00 52.55 52.57 3g4s s ASP 124 Cb 0.00 -0.08 -0.04 0.00 -0.30 0.00 0.00 42.92 42.51 3g4s s ASP 124 CO 0.64 0.02 -0.15 -0.36 -0.17 0.00 0.00 175.17 175.15 3g4s s PHE 125 N -0.62 1.47 0.55 -5.34 0.40 -1.26 -1.26 117.98 111.92 3g4s s PHE 125 Ca 0.00 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 3g4s s PHE 125 Cb -0.06 -0.77 0.05 0.00 0.51 0.00 0.00 43.02 42.75 3g4s s PHE 125 CO 0.00 0.16 0.77 -1.54 0.70 0.00 0.00 175.22 175.31 3g4s s SER 126 N -2.33 5.18 0.31 1.36 1.04 -1.21 -4.98 113.70 113.07 3g4s s SER 126 Ca 0.08 -0.31 0.11 0.00 0.48 0.00 0.00 55.95 56.31 3g4s s SER 126 Cb -0.06 -0.48 0.50 0.00 0.10 0.00 0.00 66.02 66.08 3g4s s SER 126 CO 0.03 -1.21 1.70 -0.08 0.98 0.00 0.00 173.24 174.67 3g4s h GLU 127 N 0.12 0.02 0.00 4.02 4.81 -2.00 -3.12 114.58 118.43 3g4s h GLU 127 Ca -0.39 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.68 3g4s h GLU 127 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3g4s h GLU 127 CO 0.46 0.52 -0.74 0.78 -0.73 0.00 0.00 179.01 179.31 3g4s h GLY 128 N 1.50 0.00 1.10 1.92 0.00 -1.94 -2.65 103.07 103.00 3g4s h GLY 128 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3g4s h GLY 128 CO 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.29 3g4s h ALA 129 N 1.26 0.58 0.44 3.60 0.00 -1.81 -2.99 119.26 120.35 3g4s h ALA 129 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3g4s h ALA 129 Cb 1.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3g4s h ALA 129 CO 0.10 0.64 -0.21 0.00 0.00 0.00 0.00 179.25 179.77 3g4s h ARG 130 N 0.75 -0.57 -0.71 0.00 3.08 -1.56 -2.99 114.38 112.38 3g4s h ARG 130 Ca 0.07 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.36 3g4s h ARG 130 Cb 0.90 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 3g4s h ARG 130 CO 0.08 -0.26 0.50 0.93 -1.07 0.00 0.00 179.97 180.15 3g4s h GLU 131 N -0.91 0.06 0.00 0.04 5.08 -1.55 0.21 114.58 117.52 3g4s h GLU 131 Ca -0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3g4s h GLU 131 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3g4s h GLU 131 CO 0.10 0.04 -0.38 0.87 -1.00 0.00 0.00 179.01 178.64 3g4s h LYS 132 N 0.06 0.00 0.00 2.33 1.57 -1.52 -2.82 116.57 116.20 3g4s h LYS 132 Ca 0.34 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.76 3g4s h LYS 132 Cb 1.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 3g4s h LYS 132 CO -0.03 0.00 -2.38 0.28 -0.57 0.00 0.00 179.45 176.76 3g4s n VAL 133 N -2.63 1.38 0.02 0.50 0.31 -0.00 -3.99 118.33 113.91 3g4s n VAL 133 Ca 0.03 -0.66 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 3g4s n VAL 133 Cb 0.50 -1.00 0.07 0.00 -0.91 0.00 0.00 33.84 32.49 3g4s n VAL 133 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3g4s h GLU 134 N 0.00 0.51 -0.09 5.55 5.08 -0.82 -2.27 114.58 122.55 3g4s h GLU 134 Ca -0.54 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 3g4s h GLU 134 Cb 2.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.29 3g4s h GLU 134 CO -0.04 0.93 0.00 0.41 -1.00 0.00 0.00 179.01 179.31 3g4s n GLY 135 N 0.24 -0.25 1.01 -3.84 0.00 -1.06 -3.51 105.19 97.79 3g4s n GLY 135 Ca -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3g4s n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s n ALA 136 N -0.14 3.22 -2.22 4.61 0.00 -1.12 -5.02 120.51 119.83 3g4s n ALA 136 Ca 0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 53.44 50.58 3g4s n ALA 136 Cb 0.23 -0.50 0.02 0.00 0.00 0.00 0.00 19.45 19.20 3g4s n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 137 N -0.52 -0.10 3.87 0.00 0.00 -1.21 -4.14 105.19 103.10 3g4s n GLY 137 Ca 0.15 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 3g4s n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g4s s GLY 138 N -3.03 0.07 0.18 -0.02 0.00 -0.87 -4.34 107.32 99.31 3g4s s GLY 138 Ca 0.16 -0.26 0.09 0.00 0.00 0.00 0.00 44.72 44.71 3g4s s GLY 138 CO 0.31 2.37 -0.13 -1.35 0.00 0.00 0.00 173.10 174.31 3g4s s SER 139 N -3.38 4.06 -0.25 1.64 1.04 -1.18 -4.13 113.70 111.49 3g4s s SER 139 Ca 0.21 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 56.02 3g4s s SER 139 Cb -0.02 -0.61 0.07 0.00 0.10 0.00 0.00 66.02 65.55 3g4s s SER 139 CO 0.05 0.11 -0.04 -0.69 0.98 0.00 0.00 173.24 173.65 3g4s s VAL 140 N -1.68 1.62 -0.19 5.02 1.01 -1.26 -2.60 120.40 122.32 3g4s s VAL 140 Ca 0.24 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 3g4s s VAL 140 Cb -0.09 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3g4s s VAL 140 CO 0.14 -0.19 -0.02 -1.61 0.00 0.00 0.00 175.10 173.42 3g4s s GLU 141 N 1.33 3.60 0.47 2.72 2.02 -0.45 -5.00 118.70 123.38 3g4s s GLU 141 Ca -0.03 -0.54 -0.14 0.00 0.02 0.00 0.00 54.97 54.28 3g4s s GLU 141 Cb -0.19 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 30.96 3g4s s GLU 141 CO -0.08 0.05 0.89 -1.17 0.02 0.00 0.00 175.26 174.97 3g4s s LEU 142 N 0.87 3.71 0.50 1.80 2.96 -1.26 -3.38 118.68 123.88 3g4s s LEU 142 Ca 0.00 1.36 -0.04 0.00 -0.22 0.00 0.00 54.13 55.24 3g4s s LEU 142 Cb -0.14 -4.28 -0.01 0.00 0.50 0.00 0.00 46.19 42.25 3g4s s LEU 142 CO 0.02 -0.50 0.78 -0.89 -1.32 0.00 0.00 176.35 174.43 3g4s s THR 143 N -2.52 4.32 -0.07 3.68 2.01 -0.96 -4.89 115.64 117.22 3g4s s THR 143 Ca 0.55 -0.08 0.29 0.00 0.31 0.00 0.00 61.69 62.76 3g4s s THR 143 Cb -0.10 -3.65 0.30 0.00 0.01 0.00 0.00 72.50 69.07 3g4s s THR 143 CO 0.32 -0.59 1.87 0.44 -0.69 0.00 0.00 174.62 175.97 3g4s h ASP 144 N 0.18 0.00 0.77 3.53 3.32 -1.96 -1.24 116.42 121.02 3g4s h ASP 144 Ca -0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 3g4s h ASP 144 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3g4s h ASP 144 CO 0.60 0.00 -1.30 -0.11 -1.72 0.00 0.00 179.24 176.72 3g4s n LEU 145 N -2.56 0.81 0.00 1.55 7.94 -1.26 -3.89 117.00 119.59 3g4s n LEU 145 Ca -0.00 0.34 0.06 0.00 -1.11 0.00 0.00 56.01 55.29 3g4s n LEU 145 Cb 0.15 0.03 0.34 0.00 0.53 0.00 0.00 43.42 44.47 3g4s n LEU 145 CO 0.18 0.02 0.71 0.61 -1.11 0.00 0.00 177.39 177.80 3g4s n GLY 146 N 1.32 -0.99 0.00 -3.96 0.00 -0.47 -3.83 105.19 97.26 3g4s n GLY 146 Ca -0.06 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 45.99 3g4s n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g4s n GLU 147 N -0.68 0.62 -1.21 1.61 1.02 -1.24 -3.97 120.64 116.79 3g4s n GLU 147 Ca 0.09 0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 3g4s n GLU 147 Cb 0.04 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 3g4s n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g4s n GLU 148 N -1.02 2.11 -3.18 3.49 1.02 -1.25 -4.64 120.64 117.17 3g4s n GLU 148 Ca 0.15 -1.82 -0.24 0.00 -0.02 0.00 0.00 57.16 55.22 3g4s n GLU 148 Cb 0.08 -1.92 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 3g4s n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g4s n ARG 149 N 1.00 1.99 0.00 3.49 1.74 -1.26 -5.23 116.66 118.39 3g4s n ARG 149 Ca 0.41 -4.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.37 3g4s n ARG 149 Cb 0.61 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3g4s n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05