#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s GLU 2 N 0.00 4.50 0.39 0.03 2.12 -1.26 -4.97 118.70 119.51 3g4s s GLU 2 Ca 0.00 1.86 -0.24 0.00 0.36 0.00 0.00 54.97 56.94 3g4s s GLU 2 Cb 0.00 -3.24 -0.12 0.00 0.26 0.00 0.00 34.13 31.03 3g4s s GLU 2 CO 0.00 -0.07 0.86 0.00 -0.54 0.00 0.00 175.26 175.51 3g4s n ALA 3 N 2.48 -0.50 0.09 6.30 0.00 -1.26 -4.93 120.51 122.69 3g4s n ALA 3 Ca 0.04 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 3g4s n ALA 3 Cb 0.45 -1.96 -0.13 0.00 0.00 0.00 0.00 19.45 17.80 3g4s n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g4s h LEU 4 N 1.37 0.28 0.00 0.00 3.38 -1.93 -3.46 115.31 114.95 3g4s h LEU 4 Ca -0.42 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3g4s h LEU 4 Cb 1.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3g4s h LEU 4 CO 0.56 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.95 3g4s n GLY 5 N 1.49 0.74 3.63 0.83 0.00 -1.26 -4.72 105.19 105.89 3g4s n GLY 5 Ca -0.07 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 3g4s n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 6 N -2.00 -2.03 -0.24 4.61 0.00 -1.26 -4.32 121.76 116.51 3g4s s ALA 6 Ca 0.00 1.77 -0.20 0.00 0.00 0.00 0.00 51.96 53.54 3g4s s ALA 6 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3g4s s ALA 6 CO 0.00 -0.22 0.59 -0.51 0.00 0.00 0.00 175.76 175.62 3g4s s ASP 7 N -0.17 6.55 0.15 0.00 -0.00 -0.51 -4.88 116.67 117.82 3g4s s ASP 7 Ca 0.04 0.67 0.03 0.00 -0.00 0.00 0.00 52.55 53.29 3g4s s ASP 7 Cb -0.04 -2.32 -0.04 0.00 -0.00 0.00 0.00 42.92 40.53 3g4s s ASP 7 CO -0.07 -0.31 0.23 -0.69 -0.00 0.00 0.00 175.17 174.33 3g4s s VAL 8 N 2.27 5.03 -0.29 -1.27 1.01 -1.26 0.59 120.40 126.47 3g4s s VAL 8 Ca 0.25 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3g4s s VAL 8 Cb -0.16 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.71 3g4s s VAL 8 CO 0.09 -0.10 -0.04 -0.89 0.00 0.00 0.00 175.10 174.17 3g4s s THR 9 N -1.75 2.49 -0.71 3.92 2.01 -1.26 -4.97 115.64 115.37 3g4s s THR 9 Ca 0.33 -1.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.34 3g4s s THR 9 Cb -0.11 -2.53 -0.15 0.00 0.01 0.00 0.00 72.50 69.73 3g4s s THR 9 CO 0.27 -0.18 2.52 0.00 -0.69 0.00 0.00 174.62 176.54 3g4s n GLN 10 N 4.47 0.53 -0.00 4.92 3.00 -1.26 -4.84 117.38 124.20 3g4s n GLN 10 Ca -0.10 0.03 0.15 0.00 -0.01 0.00 0.00 57.00 57.07 3g4s n GLN 10 Cb 0.42 -2.38 0.78 0.00 0.00 0.00 0.00 30.24 29.06 3g4s n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g4s n GLY 11 N 6.33 -0.60 3.41 1.08 0.00 -0.99 -4.75 105.19 109.68 3g4s n GLY 11 Ca 0.51 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3g4s n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g4s s LEU 12 N -2.00 2.37 0.00 0.99 1.43 -0.19 -4.87 118.68 116.41 3g4s s LEU 12 Ca 0.44 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3g4s s LEU 12 Cb 0.22 -0.51 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 3g4s s LEU 12 CO 0.36 -0.44 0.13 -0.62 0.23 0.00 0.00 176.35 176.01 3g4s n GLU 13 N -0.58 0.62 -2.94 1.70 1.02 -1.26 -0.81 120.64 118.40 3g4s n GLU 13 Ca -0.05 -3.01 -0.40 0.00 -0.02 0.00 0.00 57.16 53.68 3g4s n GLU 13 Cb 0.64 1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 33.67 3g4s n GLU 13 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3g4s s LYS 14 N -3.36 4.49 0.00 3.49 2.20 -0.93 -3.13 119.74 122.51 3g4s s LYS 14 Ca 0.18 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 3g4s s LYS 14 Cb 0.01 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3g4s s LYS 14 CO 0.13 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 3g4s n GLY 15 N 2.79 0.59 3.70 5.54 0.00 -0.12 -4.96 105.19 112.74 3g4s n GLY 15 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3g4s n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g4s s SER 16 N -2.97 7.05 -0.47 1.61 0.01 -1.18 -4.75 113.70 112.99 3g4s s SER 16 Ca 0.00 1.91 -0.24 0.00 1.31 0.00 0.00 55.95 58.93 3g4s s SER 16 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 3g4s s SER 16 CO 0.00 -0.55 0.84 -0.76 0.41 0.00 0.00 173.24 173.18 3g4s s LEU 17 N 1.80 4.18 0.44 2.44 1.43 -1.26 -1.34 118.68 126.36 3g4s s LEU 17 Ca 0.58 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3g4s s LEU 17 Cb -0.27 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 3g4s s LEU 17 CO 0.25 -1.00 0.07 0.27 0.23 0.00 0.00 176.35 176.17 3g4s s ILE 18 N 3.50 1.91 0.19 -0.59 -4.36 0.18 -4.96 121.20 117.08 3g4s s ILE 18 Ca 0.32 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.73 3g4s s ILE 18 Cb -0.12 -2.81 -0.07 0.00 1.25 0.00 0.00 42.46 40.72 3g4s s ILE 18 CO 0.23 0.00 0.49 0.42 0.24 0.00 0.00 174.94 176.32 3g4s s THR 19 N -2.71 5.00 -0.55 8.37 -4.23 -0.38 0.05 115.64 121.19 3g4s s THR 19 Ca 0.31 0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 61.04 3g4s s THR 19 Cb 0.06 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.41 3g4s s THR 19 CO 0.17 -0.01 0.49 0.00 -0.54 0.00 0.00 174.62 174.72 3g4s n ALA 21 N 5.06 6.58 -3.02 0.00 0.00 0.57 -4.77 120.51 124.93 3g4s n ALA 21 Ca -0.10 -3.72 -0.00 0.00 0.00 0.00 0.00 53.44 49.62 3g4s n ALA 21 Cb 0.41 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3g4s n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3g4s n ASP 22 N 4.74 -0.05 -0.69 0.00 5.68 -1.26 -2.58 116.55 122.38 3g4s n ASP 22 Ca 0.65 -1.04 0.06 0.00 -0.50 0.00 0.00 54.79 53.97 3g4s n ASP 22 Cb 0.31 0.09 0.18 0.00 -1.14 0.00 0.00 41.12 40.56 3g4s n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3g4s n ASN 23 N -1.11 3.22 0.07 -1.12 0.23 -1.16 -4.73 115.26 110.66 3g4s n ASN 23 Ca -0.00 -2.37 0.07 0.00 -0.53 0.00 0.00 54.58 51.74 3g4s n ASN 23 Cb 0.01 -0.33 0.32 0.00 -2.08 0.00 0.00 39.78 37.70 3g4s n ASN 23 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3g4s n THR 24 N 0.09 1.30 0.00 5.53 -2.24 -1.26 -4.80 114.28 112.90 3g4s n THR 24 Ca 0.15 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 3g4s n THR 24 Cb 0.59 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 3g4s n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g4s n GLY 25 N -0.85 0.38 3.66 3.38 0.00 -1.26 -4.97 105.19 105.53 3g4s n GLY 25 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3g4s n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 26 N -2.00 3.55 -0.17 4.61 0.00 -1.26 -2.59 121.76 123.90 3g4s s ALA 26 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 3g4s s ALA 26 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 3g4s s ALA 26 CO 0.00 -0.43 -0.32 0.54 0.00 0.00 0.00 175.76 175.55 3g4s n ARG 27 N 4.77 0.51 -4.76 0.00 1.74 -0.70 -4.59 116.66 113.62 3g4s n ARG 27 Ca -0.06 0.25 -0.33 0.00 -0.77 0.00 0.00 57.85 56.94 3g4s n ARG 27 Cb 0.51 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 3g4s n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3g4s s GLU 28 N -2.78 3.16 0.05 5.56 2.12 -0.99 -1.43 118.70 124.39 3g4s s GLU 28 Ca -0.27 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.48 3g4s s GLU 28 Cb 0.04 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 3g4s s GLU 28 CO 0.39 0.34 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.75 3g4s s LEU 29 N 0.02 2.55 -0.17 2.70 1.43 0.11 -1.02 118.68 124.28 3g4s s LEU 29 Ca -0.04 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3g4s s LEU 29 Cb -0.14 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3g4s s LEU 29 CO 0.04 0.25 -0.19 -0.75 0.23 0.00 0.00 176.35 175.93 3g4s s LYS 30 N -1.47 2.90 0.28 1.70 2.20 -0.42 0.49 119.74 125.42 3g4s s LYS 30 Ca 0.14 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 3g4s s LYS 30 Cb -0.10 -2.50 -0.10 0.00 -1.51 0.00 0.00 37.83 33.61 3g4s s LYS 30 CO 0.05 -0.21 1.39 0.08 -0.36 0.00 0.00 175.35 176.31 3g4s s VAL 31 N 1.30 2.65 -0.03 4.02 1.01 -0.45 -1.75 120.40 127.16 3g4s s VAL 31 Ca 0.05 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3g4s s VAL 31 Cb -0.13 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3g4s s VAL 31 CO -0.12 0.11 -0.05 -0.38 0.00 0.00 0.00 175.10 174.66 3g4s n ILE 32 N 1.71 0.39 -4.12 2.22 5.41 0.28 -0.94 119.36 124.30 3g4s n ILE 32 Ca 0.04 0.01 -0.10 0.00 1.00 0.00 0.00 62.75 63.70 3g4s n ILE 32 Cb 0.41 -1.58 -0.09 0.00 -0.71 0.00 0.00 39.64 37.67 3g4s n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3g4s s SER 33 N -5.46 0.18 -0.28 4.38 0.01 -1.00 -4.76 113.70 106.76 3g4s s SER 33 Ca -0.06 -1.19 0.03 0.00 1.31 0.00 0.00 55.95 56.04 3g4s s SER 33 Cb 0.02 0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.69 3g4s s SER 33 CO 0.07 -0.82 -0.07 -0.69 0.41 0.00 0.00 173.24 172.14 3g4s s VAL 34 N -4.07 2.17 -0.20 3.43 1.01 -1.26 -0.77 120.40 120.71 3g4s s VAL 34 Ca 0.28 -1.81 -0.39 0.00 0.00 0.00 0.00 61.98 60.06 3g4s s VAL 34 Cb 0.06 -2.36 -0.16 0.00 0.00 0.00 0.00 36.38 33.92 3g4s s VAL 34 CO 0.05 -0.18 1.67 1.57 0.00 0.00 0.00 175.10 178.21 3g4s n HIS 35 N 4.40 1.95 -0.33 5.22 -0.00 -0.60 -1.73 115.22 124.12 3g4s n HIS 35 Ca -0.09 0.54 0.00 0.00 0.46 0.00 0.00 57.72 58.63 3g4s n HIS 35 Cb 0.42 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.85 3g4s n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3g4s n GLY 36 N 3.86 1.91 3.82 1.57 0.00 -1.26 -4.82 105.19 110.27 3g4s n GLY 36 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3g4s n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g4s s TYR 37 N -3.18 3.75 -0.08 1.61 5.04 -0.71 -5.08 117.35 118.71 3g4s s TYR 37 Ca 0.00 1.10 -0.00 0.00 -2.44 0.00 0.00 57.07 55.72 3g4s s TYR 37 Cb 0.00 -2.38 0.02 0.00 0.35 0.00 0.00 41.96 39.96 3g4s s TYR 37 CO 0.00 0.61 -0.04 0.45 -1.34 0.00 0.00 175.55 175.23 3g4s s SER 38 N -1.03 1.66 0.00 4.32 0.15 -1.26 -4.89 113.70 112.65 3g4s s SER 38 Ca 0.26 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.73 3g4s s SER 38 Cb -0.18 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 3g4s s SER 38 CO 0.15 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.08 3g4s n GLY 39 N 4.76 1.41 3.26 9.45 0.00 -1.26 -5.15 105.19 117.66 3g4s n GLY 39 Ca -0.14 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 3g4s n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g4s s THR 40 N 2.08 0.26 0.24 2.61 -1.32 -1.26 -5.12 115.64 113.12 3g4s s THR 40 Ca 0.00 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.18 3g4s s THR 40 Cb 0.00 -2.56 -0.10 0.00 -1.51 0.00 0.00 72.50 68.33 3g4s s THR 40 CO 0.00 0.00 1.50 -0.75 -2.21 0.00 0.00 174.62 173.16 3g4s s LYS 41 N -4.06 4.23 -0.82 7.08 2.20 -1.26 -3.56 119.74 123.56 3g4s s LYS 41 Ca 0.38 2.37 -0.02 0.00 -0.36 0.00 0.00 55.97 58.35 3g4s s LYS 41 Cb 0.07 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 3g4s s LYS 41 CO 0.14 -0.50 0.75 0.09 -0.36 0.00 0.00 175.35 175.46 3g4s n ASN 42 N 2.67 -7.48 -3.66 1.43 3.02 -1.26 -5.06 115.26 104.93 3g4s n ASN 42 Ca 0.09 -0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 3g4s n ASN 42 Cb 0.39 -5.23 -0.08 0.00 -0.61 0.00 0.00 39.78 34.25 3g4s n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3g4s s ARG 43 N -3.38 0.62 -0.11 3.52 3.52 -1.23 -5.13 118.95 116.75 3g4s s ARG 43 Ca 0.11 1.04 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 3g4s s ARG 43 Cb -0.02 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 3g4s s ARG 43 CO 0.75 -0.14 1.09 -1.01 -0.81 0.00 0.00 175.30 175.18 3g4s s HIS 44 N 1.35 3.34 -0.27 5.12 3.76 -1.26 -4.82 115.29 122.51 3g4s s HIS 44 Ca -0.08 1.41 -0.29 0.00 -0.15 0.00 0.00 55.06 55.95 3g4s s HIS 44 Cb -0.06 -3.30 -0.06 0.00 1.11 0.00 0.00 32.58 30.27 3g4s s HIS 44 CO -0.14 -0.72 2.25 -0.35 -0.85 0.00 0.00 174.74 174.92 3g4s n PRO 45 N 5.37 1.75 -2.58 8.40 -0.04 -1.26 -4.82 135.00 141.82 3g4s n PRO 45 Ca 0.10 0.45 -0.40 0.00 -0.04 0.00 0.00 63.50 63.61 3g4s n PRO 45 Cb 0.47 -3.16 -0.05 0.00 -0.04 0.00 0.00 33.50 30.72 3g4s n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3g4s s LYS 46 N 6.57 4.72 0.08 0.54 -2.85 -1.26 -2.20 119.74 125.33 3g4s s LYS 46 Ca 1.02 1.68 0.09 0.00 -1.00 0.00 0.00 55.97 57.75 3g4s s LYS 46 Cb -0.39 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.12 3g4s s LYS 46 CO 0.36 0.31 -0.24 0.00 0.10 0.00 0.00 175.35 175.89 3g4s s ALA 47 N -1.07 2.03 0.40 0.59 0.00 0.01 -4.92 121.76 118.80 3g4s s ALA 47 Ca 0.44 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 51.20 3g4s s ALA 47 Cb -0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3g4s s ALA 47 CO 0.37 0.45 0.18 0.20 0.00 0.00 0.00 175.76 176.97 3g4s s GLY 48 N -1.55 2.63 0.01 0.00 0.00 -1.26 -1.02 107.32 106.13 3g4s s GLY 48 Ca 0.10 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.13 3g4s s GLY 48 CO 0.03 -1.74 1.56 -2.27 0.00 0.00 0.00 173.10 170.68 3g4s s LEU 49 N -3.57 4.33 0.00 0.66 0.20 -1.26 -2.91 118.68 116.13 3g4s s LEU 49 Ca 0.27 2.27 0.00 0.00 0.69 0.00 0.00 54.13 57.36 3g4s s LEU 49 Cb 0.02 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 3g4s s LEU 49 CO 0.18 -0.84 0.00 0.61 -0.29 0.00 0.00 176.35 176.02 3g4s n GLY 50 N 3.90 1.25 3.45 7.98 0.00 -0.15 -5.01 105.19 116.61 3g4s n GLY 50 Ca 0.15 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3g4s n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g4s s ASP 51 N -2.46 4.10 -0.35 1.61 1.01 -1.15 -4.91 116.67 114.53 3g4s s ASP 51 Ca 0.00 -0.22 -0.26 0.00 0.71 0.00 0.00 52.55 52.78 3g4s s ASP 51 Cb 0.00 -1.16 0.01 0.00 1.01 0.00 0.00 42.92 42.78 3g4s s ASP 51 CO 0.00 0.28 0.91 -0.75 0.21 0.00 0.00 175.17 175.82 3g4s s LYS 52 N -0.34 3.89 0.15 8.23 2.20 -1.26 -1.68 119.74 130.92 3g4s s LYS 52 Ca 0.03 0.63 0.10 0.00 -0.36 0.00 0.00 55.97 56.37 3g4s s LYS 52 Cb -0.13 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 3g4s s LYS 52 CO 0.02 -0.88 -0.20 0.96 -0.36 0.00 0.00 175.35 174.89 3g4s s ILE 53 N 3.37 2.65 -0.08 5.43 -4.36 0.12 -1.56 121.20 126.78 3g4s s ILE 53 Ca 0.37 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.85 3g4s s ILE 53 Cb -0.12 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 3g4s s ILE 53 CO 0.17 0.02 0.60 -0.89 0.24 0.00 0.00 174.94 175.08 3g4s s THR 54 N -1.32 5.08 0.13 8.37 2.01 0.05 -1.02 115.64 128.94 3g4s s THR 54 Ca 0.19 1.23 0.03 0.00 0.31 0.00 0.00 61.69 63.45 3g4s s THR 54 Cb -0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3g4s s THR 54 CO 0.10 0.31 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.55 3g4s s VAL 55 N 0.58 0.99 -0.04 3.82 1.01 -0.10 -0.55 120.40 126.11 3g4s s VAL 55 Ca 0.32 -1.99 0.04 0.00 0.00 0.00 0.00 61.98 60.34 3g4s s VAL 55 Cb -0.17 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 3g4s s VAL 55 CO 0.15 -0.78 -0.14 -0.94 0.00 0.00 0.00 175.10 173.38 3g4s s SER 56 N -3.08 1.86 -0.25 3.32 1.04 -0.72 -0.97 113.70 114.89 3g4s s SER 56 Ca 0.14 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 3g4s s SER 56 Cb 0.03 -0.53 -0.00 0.00 0.10 0.00 0.00 66.02 65.62 3g4s s SER 56 CO -0.01 0.12 1.28 -0.69 0.98 0.00 0.00 173.24 174.92 3g4s s VAL 57 N 0.12 4.20 -0.09 5.02 1.01 -0.99 -1.31 120.40 128.36 3g4s s VAL 57 Ca -0.04 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 3g4s s VAL 57 Cb -0.11 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3g4s s VAL 57 CO 0.02 -0.35 -0.04 0.74 0.00 0.00 0.00 175.10 175.46 3g4s h THR 58 N 5.80 0.00 -3.92 3.92 2.02 -1.42 -3.18 112.91 116.13 3g4s h THR 58 Ca -0.26 -0.84 -0.69 0.00 0.77 0.00 0.00 66.41 65.39 3g4s h THR 58 Cb 1.10 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.27 3g4s h THR 58 CO 1.01 0.00 -0.77 -0.54 0.37 0.00 0.00 175.52 175.59 3g4s s LYS 59 N -1.62 2.65 0.00 6.66 1.02 -1.15 -4.87 119.74 122.42 3g4s s LYS 59 Ca -0.03 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3g4s s LYS 59 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3g4s s LYS 59 CO 0.05 0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 3g4s n GLY 60 N 2.52 -0.53 3.77 -3.33 0.00 -1.26 -1.71 105.19 104.65 3g4s n GLY 60 Ca -0.17 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 3g4s n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g4s s THR 61 N -3.24 4.23 0.48 2.61 -4.23 -1.07 -4.84 115.64 109.59 3g4s s THR 61 Ca 0.00 1.83 0.36 0.00 -1.18 0.00 0.00 61.69 62.70 3g4s s THR 61 Cb 0.00 -4.12 0.56 0.00 1.34 0.00 0.00 72.50 70.28 3g4s s THR 61 CO 0.00 0.34 1.64 -0.65 -0.54 0.00 0.00 174.62 175.41 3g4s h PRO 62 N 3.73 0.06 0.00 3.99 0.11 -1.94 0.11 132.00 138.05 3g4s h PRO 62 Ca -0.46 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3g4s h PRO 62 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3g4s h PRO 62 CO 0.66 0.04 -0.92 0.93 -0.21 0.00 0.00 178.00 178.50 3g4s h GLU 63 N 0.07 0.00 0.00 1.05 4.39 -1.99 -3.34 114.58 114.75 3g4s h GLU 63 Ca 0.81 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 60.25 3g4s h GLU 63 Cb 2.81 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 31.42 3g4s h GLU 63 CO -0.25 0.70 -1.53 0.52 -1.16 0.00 0.00 179.01 177.29 3g4s h MET 64 N 0.00 0.00 -7.18 2.33 2.86 -1.23 -3.48 114.93 108.23 3g4s h MET 64 Ca -0.05 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.07 3g4s h MET 64 Cb 1.63 0.00 0.13 0.00 0.06 0.00 0.00 31.60 33.43 3g4s h MET 64 CO 0.09 0.52 0.39 1.03 1.06 0.00 0.00 176.91 180.01 3g4s s ARG 65 N -2.68 2.42 -0.87 1.72 0.52 -0.31 -3.54 118.95 116.21 3g4s s ARG 65 Ca -0.03 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.80 3g4s s ARG 65 Cb 0.08 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.67 3g4s s ARG 65 CO 0.82 -1.59 0.00 0.54 0.02 0.00 0.00 175.30 175.09 3g4s n ARG 66 N -2.55 -1.20 -3.75 3.54 1.74 -1.20 -5.00 116.66 108.25 3g4s n ARG 66 Ca 0.12 0.72 -0.36 0.00 -0.77 0.00 0.00 57.85 57.57 3g4s n ARG 66 Cb 0.51 -4.82 -0.06 0.00 -1.02 0.00 0.00 32.46 27.08 3g4s n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g4s s GLN 67 N -2.43 3.60 -0.67 5.56 -0.21 -1.23 -4.93 119.66 119.34 3g4s s GLN 67 Ca 0.00 -0.00 -0.12 0.00 0.02 0.00 0.00 55.36 55.26 3g4s s GLN 67 Cb 0.00 -3.13 0.17 0.00 1.00 0.00 0.00 33.01 31.05 3g4s s GLN 67 CO 0.00 0.69 0.58 0.08 -2.12 0.00 0.00 175.29 174.53 3g4s s VAL 68 N -1.18 4.95 0.25 1.09 1.01 -1.26 -2.35 120.40 122.90 3g4s s VAL 68 Ca 0.23 -2.25 0.10 0.00 0.00 0.00 0.00 61.98 60.07 3g4s s VAL 68 Cb -0.13 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3g4s s VAL 68 CO 0.12 -0.93 -0.08 -0.76 0.00 0.00 0.00 175.10 173.45 3g4s s LEU 69 N 0.62 2.96 0.22 3.92 1.43 -0.15 -4.94 118.68 122.75 3g4s s LEU 69 Ca 0.13 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 3g4s s LEU 69 Cb -0.19 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 3g4s s LEU 69 CO -0.04 0.04 0.55 -1.61 0.23 0.00 0.00 176.35 175.52 3g4s s GLU 70 N -3.40 3.82 0.18 1.70 2.02 -1.26 -0.92 118.70 120.85 3g4s s GLU 70 Ca 0.29 0.30 -0.11 0.00 0.02 0.00 0.00 54.97 55.47 3g4s s GLU 70 Cb -0.07 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.50 3g4s s GLU 70 CO 0.17 0.33 0.36 0.00 0.02 0.00 0.00 175.26 176.14 3g4s s ALA 71 N -1.79 -0.23 -0.07 5.21 0.00 -0.19 -1.08 121.76 123.60 3g4s s ALA 71 Ca 0.47 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.73 3g4s s ALA 71 Cb -0.11 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3g4s s ALA 71 CO 0.21 -0.71 -0.22 0.08 0.00 0.00 0.00 175.76 175.12 3g4s s VAL 72 N -3.95 2.35 -0.38 0.00 1.01 -0.74 0.15 120.40 118.83 3g4s s VAL 72 Ca 0.16 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3g4s s VAL 72 Cb 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3g4s s VAL 72 CO 0.01 0.56 1.44 -0.69 0.00 0.00 0.00 175.10 176.42 3g4s s VAL 73 N -0.09 3.89 -0.18 2.92 1.01 -0.68 -2.29 120.40 124.98 3g4s s VAL 73 Ca -0.05 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 3g4s s VAL 73 Cb -0.14 -4.13 -0.21 0.00 0.00 0.00 0.00 36.38 31.89 3g4s s VAL 73 CO 0.04 -0.68 0.27 0.58 0.00 0.00 0.00 175.10 175.32 3g4s h VAL 74 N 6.42 0.86 -3.54 2.92 2.07 -1.25 -0.37 116.25 123.36 3g4s h VAL 74 Ca -0.28 -2.23 -0.44 0.00 0.82 0.00 0.00 66.70 64.57 3g4s h VAL 74 Cb 1.11 2.32 -0.18 0.00 -1.52 0.00 0.00 31.29 33.02 3g4s h VAL 74 CO 1.07 0.47 -0.77 -0.13 0.02 0.00 0.00 177.57 178.23 3g4s s ARG 75 N -2.41 1.08 0.07 1.57 0.52 -0.04 -4.11 118.95 115.62 3g4s s ARG 75 Ca -0.27 -1.27 -0.14 0.00 -0.52 0.00 0.00 55.73 53.54 3g4s s ARG 75 Cb 0.06 -1.02 0.02 0.00 0.52 0.00 0.00 34.95 34.53 3g4s s ARG 75 CO 0.64 0.20 0.31 1.14 0.02 0.00 0.00 175.30 177.61 3g4s s GLN 76 N -2.65 0.88 0.07 3.54 -2.07 -1.18 -1.17 119.66 117.08 3g4s s GLN 76 Ca 0.10 -0.62 0.06 0.00 -1.82 0.00 0.00 55.36 53.09 3g4s s GLN 76 Cb -0.05 0.38 -0.23 0.00 -1.09 0.00 0.00 33.01 32.02 3g4s s GLN 76 CO 0.04 -0.30 1.11 0.00 -1.32 0.00 0.00 175.29 174.82 3g4s h ARG 77 N 2.94 0.05 -6.51 9.60 3.08 -1.78 -2.14 114.38 119.61 3g4s h ARG 77 Ca -0.33 -0.08 -0.53 0.00 0.07 0.00 0.00 59.98 59.11 3g4s h ARG 77 Cb 1.21 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3g4s h ARG 77 CO 0.48 0.93 0.52 0.21 -1.07 0.00 0.00 179.97 181.04 3g4s s LYS 78 N -2.67 4.48 0.22 0.04 2.47 -1.26 -4.38 119.74 118.63 3g4s s LYS 78 Ca -0.01 1.72 -0.32 0.00 -1.56 0.00 0.00 55.97 55.80 3g4s s LYS 78 Cb 0.09 -3.35 -0.14 0.00 -1.46 0.00 0.00 37.83 32.98 3g4s s LYS 78 CO 0.83 -0.17 1.43 -2.30 0.16 0.00 0.00 175.35 175.29 3g4s n PRO 79 N 3.62 2.01 -4.15 4.03 -0.02 -1.26 -4.80 135.00 134.44 3g4s n PRO 79 Ca 0.07 0.72 -0.25 0.00 -2.02 0.00 0.00 63.50 62.03 3g4s n PRO 79 Cb 0.47 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 3g4s n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3g4s s ILE 80 N 0.09 4.16 -0.30 4.25 -4.36 -0.03 -4.11 121.20 120.90 3g4s s ILE 80 Ca 0.70 -1.36 -0.06 0.00 -0.26 0.00 0.00 60.65 59.67 3g4s s ILE 80 Cb -0.66 -3.16 0.02 0.00 1.25 0.00 0.00 42.46 39.91 3g4s s ILE 80 CO 0.48 -0.21 0.07 -0.60 0.24 0.00 0.00 174.94 174.91 3g4s s ARG 81 N -3.34 2.87 0.42 0.37 3.52 0.20 -1.52 118.95 121.47 3g4s s ARG 81 Ca 0.31 -1.00 -0.22 0.00 -0.13 0.00 0.00 55.73 54.68 3g4s s ARG 81 Cb -0.09 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3g4s s ARG 81 CO 0.22 -0.52 1.01 1.03 -0.81 0.00 0.00 175.30 176.23 3g4s s ARG 82 N 1.43 4.12 0.49 5.12 1.81 -0.58 -1.42 118.95 129.92 3g4s s ARG 82 Ca 0.00 1.35 0.29 0.00 -1.72 0.00 0.00 55.73 55.66 3g4s s ARG 82 Cb -0.18 -2.36 1.38 0.00 -0.45 0.00 0.00 34.95 33.35 3g4s s ARG 82 CO 0.01 -0.15 1.81 -1.35 -0.68 0.00 0.00 175.30 174.94 3g4s h PRO 83 N 2.16 0.14 -0.23 3.54 0.11 -1.87 -0.13 132.00 135.71 3g4s h PRO 83 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3g4s h PRO 83 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3g4s h PRO 83 CO 0.61 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3g4s n ASP 84 N -4.35 0.23 0.00 -2.05 5.75 -1.26 -4.85 116.55 110.02 3g4s n ASP 84 Ca 0.24 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3g4s n ASP 84 Cb 1.06 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 3g4s n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g4s n GLY 85 N 0.31 2.65 3.77 6.12 0.00 -0.06 -5.03 105.19 112.95 3g4s n GLY 85 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3g4s n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 86 N -2.21 3.27 0.07 2.61 2.01 -1.24 -4.80 115.64 115.34 3g4s s THR 86 Ca 0.00 1.13 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 3g4s s THR 86 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3g4s s THR 86 CO 0.00 0.16 0.24 -0.13 -0.69 0.00 0.00 174.62 174.20 3g4s s ARG 87 N -2.04 3.48 -0.03 4.92 1.81 -1.26 -1.52 118.95 124.30 3g4s s ARG 87 Ca 0.53 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 54.21 3g4s s ARG 87 Cb -0.31 -3.01 0.01 0.00 -0.45 0.00 0.00 34.95 31.19 3g4s s ARG 87 CO 0.39 0.59 -0.05 0.08 -0.68 0.00 0.00 175.30 175.63 3g4s s VAL 88 N -1.51 0.51 0.01 3.52 1.01 -0.57 -4.94 120.40 118.43 3g4s s VAL 88 Ca 0.35 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3g4s s VAL 88 Cb -0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3g4s s VAL 88 CO 0.26 0.19 -0.04 -1.59 0.00 0.00 0.00 175.10 173.92 3g4s s LYS 89 N 0.52 0.31 0.46 2.72 -2.85 -1.26 -0.85 119.74 118.80 3g4s s LYS 89 Ca -0.07 -0.36 0.07 0.00 -1.00 0.00 0.00 55.97 54.62 3g4s s LYS 89 Cb -0.10 -0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.53 3g4s s LYS 89 CO -0.00 0.03 0.64 -0.06 0.10 0.00 0.00 175.35 176.06 3g4s s PHE 90 N -0.67 2.61 0.06 1.78 0.40 -0.81 -5.04 117.98 116.31 3g4s s PHE 90 Ca -0.05 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.70 3g4s s PHE 90 Cb -0.05 -2.43 -0.12 0.00 0.51 0.00 0.00 43.02 40.93 3g4s s PHE 90 CO -0.00 -0.61 1.43 1.49 0.70 0.00 0.00 175.22 178.23 3g4s h GLU 91 N 0.47 0.36 -4.97 0.44 4.22 -1.94 -3.40 114.58 109.76 3g4s h GLU 91 Ca -0.39 -0.15 -0.54 0.00 0.08 0.00 0.00 59.36 58.36 3g4s h GLU 91 Cb 1.28 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.39 3g4s h GLU 91 CO 0.45 0.65 -0.49 0.16 -2.18 0.00 0.00 179.01 177.61 3g4s s ASP 92 N -6.00 2.37 -0.32 1.04 -4.77 -1.26 -4.90 116.67 102.83 3g4s s ASP 92 Ca -0.14 -1.76 -0.07 0.00 -3.30 0.00 0.00 52.55 47.27 3g4s s ASP 92 Cb 0.06 0.60 0.02 0.00 -1.09 0.00 0.00 42.92 42.51 3g4s s ASP 92 CO 0.74 -1.04 0.11 0.54 0.70 0.00 0.00 175.17 176.23 3g4s s ASN 93 N -3.52 5.30 0.14 2.11 4.22 -1.26 -3.09 114.94 118.84 3g4s s ASN 93 Ca 0.31 -0.92 0.04 0.00 -2.14 0.00 0.00 52.86 50.15 3g4s s ASN 93 Cb 0.02 -1.90 -0.04 0.00 1.28 0.00 0.00 41.25 40.60 3g4s s ASN 93 CO 0.22 -0.28 -0.10 0.00 -2.04 0.00 0.00 177.10 174.90 3g4s s ALA 94 N 1.47 1.37 0.04 3.54 0.00 -0.31 -1.25 121.76 126.61 3g4s s ALA 94 Ca 0.01 -1.44 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 3g4s s ALA 94 Cb -0.18 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3g4s s ALA 94 CO 0.03 -0.10 0.19 0.00 0.00 0.00 0.00 175.76 175.88 3g4s s ALA 95 N -3.24 -0.35 -0.06 0.00 0.00 0.12 -0.68 121.76 117.55 3g4s s ALA 95 Ca 0.15 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3g4s s ALA 95 Cb 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 3g4s s ALA 95 CO -0.00 -0.36 -0.17 0.08 0.00 0.00 0.00 175.76 175.31 3g4s s VAL 96 N -2.55 2.76 0.52 0.00 1.01 -0.97 -0.32 120.40 120.85 3g4s s VAL 96 Ca -0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 3g4s s VAL 96 Cb -0.01 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 3g4s s VAL 96 CO -0.04 0.57 1.12 -0.63 0.00 0.00 0.00 175.10 176.12 3g4s s ILE 97 N -0.40 3.27 0.14 2.22 1.01 -1.26 -1.80 121.20 124.37 3g4s s ILE 97 Ca 0.04 0.82 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 3g4s s ILE 97 Cb -0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3g4s s ILE 97 CO 0.02 -0.14 0.03 -0.69 0.00 0.00 0.00 174.94 174.16 3g4s s VAL 98 N -1.77 0.30 0.00 2.92 1.01 -0.24 -2.38 120.40 120.25 3g4s s VAL 98 Ca 0.70 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3g4s s VAL 98 Cb -0.23 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3g4s s VAL 98 CO 0.27 -0.50 0.00 -0.90 0.00 0.00 0.00 175.10 173.97 3g4s n ASP 99 N -0.13 0.98 -0.17 3.32 5.68 -0.48 -4.28 116.55 121.47 3g4s n ASP 99 Ca -0.06 -0.47 -0.03 0.00 -0.50 0.00 0.00 54.79 53.72 3g4s n ASP 99 Cb 0.63 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.68 3g4s n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3g4s h GLU 100 N 0.00 0.43 -0.56 0.11 5.08 -2.00 -2.24 114.58 115.41 3g4s h GLU 100 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3g4s h GLU 100 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3g4s h GLU 100 CO 0.00 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.39 3g4s n ASN 101 N -4.94 2.64 -1.69 1.42 3.02 -1.26 -4.92 115.26 109.53 3g4s n ASN 101 Ca 0.05 -2.21 -0.15 0.00 -0.03 0.00 0.00 54.58 52.25 3g4s n ASN 101 Cb 0.18 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.94 3g4s n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g4s n GLU 102 N 0.49 -1.19 -3.73 3.52 1.02 -0.84 -5.04 120.64 114.88 3g4s n GLU 102 Ca 0.13 0.73 -0.37 0.00 -0.02 0.00 0.00 57.16 57.63 3g4s n GLU 102 Cb 0.50 -5.06 -0.06 0.00 -0.02 0.00 0.00 31.44 26.80 3g4s n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3g4s s ASP 103 N -2.33 6.50 0.26 1.62 1.01 -1.26 -4.68 116.67 117.79 3g4s s ASP 103 Ca 0.00 0.59 -0.30 0.00 0.71 0.00 0.00 52.55 53.55 3g4s s ASP 103 Cb 0.00 -2.13 -0.11 0.00 1.01 0.00 0.00 42.92 41.69 3g4s s ASP 103 CO 0.00 0.33 1.59 -2.16 0.21 0.00 0.00 175.17 175.14 3g4s s PRO 104 N -0.76 4.15 0.61 8.23 0.04 -1.26 -1.38 135.00 144.63 3g4s s PRO 104 Ca 0.17 2.52 0.37 0.00 0.04 0.00 0.00 61.00 64.10 3g4s s PRO 104 Cb -0.13 -3.05 1.98 0.00 0.04 0.00 0.00 34.50 33.34 3g4s s PRO 104 CO 0.06 -0.61 2.25 -0.09 0.04 0.00 0.00 177.00 178.64 3g4s h ARG 105 N 5.30 0.00 0.00 4.56 2.43 -1.77 -3.44 114.38 121.46 3g4s h ARG 105 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3g4s h ARG 105 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3g4s h ARG 105 CO 0.82 0.02 0.00 0.41 -1.51 0.00 0.00 179.97 179.72 3g4s n GLY 106 N -0.93 2.38 1.24 2.80 0.00 -1.26 -4.93 105.19 104.50 3g4s n GLY 106 Ca -0.02 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3g4s n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g4s n THR 107 N 0.00 0.00 -4.29 2.61 -1.04 -1.26 -5.07 114.28 105.23 3g4s n THR 107 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3g4s n THR 107 Cb 0.00 -0.52 -0.14 0.00 -1.82 0.00 0.00 70.33 67.85 3g4s n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3g4s s GLU 108 N -1.76 3.40 -0.18 -2.82 2.02 -1.26 -4.95 118.70 113.15 3g4s s GLU 108 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 3g4s s GLU 108 Cb 0.00 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3g4s s GLU 108 CO 0.00 0.00 0.10 -0.51 0.02 0.00 0.00 175.26 174.87 3g4s s LEU 109 N 0.93 4.02 0.34 1.80 1.43 -1.26 -2.99 118.68 122.95 3g4s s LEU 109 Ca -0.01 0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 3g4s s LEU 109 Cb -0.15 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.95 3g4s s LEU 109 CO 0.00 0.19 0.84 -0.54 0.23 0.00 0.00 176.35 177.07 3g4s s LYS 110 N 0.27 4.21 0.33 1.70 1.02 -1.07 -4.49 119.74 121.71 3g4s s LYS 110 Ca 0.06 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.00 3g4s s LYS 110 Cb -0.12 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3g4s s LYS 110 CO -0.01 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 3g4s n GLY 111 N -0.13 -2.49 3.78 -3.33 0.00 -1.26 -4.74 105.19 97.01 3g4s n GLY 111 Ca 0.03 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3g4s n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g4s s PRO 112 N -2.94 2.89 0.40 1.61 0.04 -1.26 -4.51 135.00 131.23 3g4s s PRO 112 Ca 0.00 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.46 3g4s s PRO 112 Cb 0.00 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3g4s s PRO 112 CO 0.00 -1.17 0.02 0.42 0.04 0.00 0.00 177.00 176.31 3g4s s ILE 113 N -2.36 1.82 0.00 0.56 1.01 -0.41 -4.82 121.20 117.00 3g4s s ILE 113 Ca 0.66 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.29 3g4s s ILE 113 Cb -0.20 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3g4s s ILE 113 CO 0.41 0.00 0.18 0.00 0.00 0.00 0.00 174.94 175.53 3g4s s ALA 114 N -2.82 3.95 -0.56 9.38 0.00 -1.26 -1.13 121.76 129.33 3g4s s ALA 114 Ca 0.34 -0.78 0.20 0.00 0.00 0.00 0.00 51.96 51.72 3g4s s ALA 114 Cb 0.09 -1.86 0.89 0.00 0.00 0.00 0.00 23.12 22.24 3g4s s ALA 114 CO 0.17 0.76 1.61 2.89 0.00 0.00 0.00 175.76 181.19 3g4s n ARG 115 N 0.84 0.14 0.10 0.00 1.85 0.06 -2.63 116.66 117.01 3g4s n ARG 115 Ca -0.10 0.43 -0.00 0.00 -1.00 0.00 0.00 57.85 57.19 3g4s n ARG 115 Cb 0.52 -1.80 -0.03 0.00 -1.05 0.00 0.00 32.46 30.11 3g4s n ARG 115 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3g4s h GLU 116 N 0.00 0.00 0.00 2.89 3.07 -1.84 -3.25 114.58 115.45 3g4s h GLU 116 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3g4s h GLU 116 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3g4s h GLU 116 CO 0.00 0.53 -0.24 0.28 -1.40 0.00 0.00 179.01 178.18 3g4s h VAL 117 N 0.00 0.46 -0.37 3.13 2.07 -1.84 -3.30 116.25 116.40 3g4s h VAL 117 Ca -0.05 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3g4s h VAL 117 Cb 1.52 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 3g4s h VAL 117 CO 0.07 0.24 0.19 0.00 0.02 0.00 0.00 177.57 178.09 3g4s h ALA 118 N 1.76 0.47 0.04 1.67 0.00 -1.65 -1.00 119.26 120.56 3g4s h ALA 118 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g4s h ALA 118 Cb 1.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3g4s h ALA 118 CO 0.03 0.02 -0.15 1.96 0.00 0.00 0.00 179.25 181.11 3g4s h GLN 119 N 0.46 -0.26 0.28 0.00 4.20 -1.71 -3.07 115.11 115.02 3g4s h GLN 119 Ca 0.13 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3g4s h GLN 119 Cb 0.09 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3g4s h GLN 119 CO -0.02 -0.18 -0.14 0.00 -0.67 0.00 0.00 178.83 177.83 3g4s h ARG 120 N -0.27 -0.37 -3.34 1.46 3.08 -1.71 -3.39 114.38 109.84 3g4s h ARG 120 Ca 0.04 0.02 -0.78 0.00 0.07 0.00 0.00 59.98 59.33 3g4s h ARG 120 Cb 0.32 0.08 -0.30 0.00 0.08 0.00 0.00 29.97 30.15 3g4s h ARG 120 CO -0.12 -0.24 0.42 1.19 -1.07 0.00 0.00 179.97 180.14 3g4s n PHE 121 N -3.83 4.42 0.20 3.04 3.01 -0.38 -4.86 117.46 119.06 3g4s n PHE 121 Ca -0.05 -3.67 0.05 0.00 1.01 0.00 0.00 57.45 54.80 3g4s n PHE 121 Cb 0.15 -1.49 0.40 0.00 -0.01 0.00 0.00 39.48 38.53 3g4s n PHE 121 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3g4s h GLY 122 N 6.20 0.00 2.00 1.37 0.00 -1.73 -2.84 103.07 108.07 3g4s h GLY 122 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3g4s h GLY 122 CO 1.06 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.46 3g4s n SER 123 N -3.74 0.58 -0.06 0.19 3.41 -1.26 -1.13 113.62 111.61 3g4s n SER 123 Ca -0.01 0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 59.11 3g4s n SER 123 Cb 0.44 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 3g4s n SER 123 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3g4s n VAL 124 N -2.13 1.55 -0.11 -3.33 0.31 -1.09 -4.28 118.33 109.25 3g4s n VAL 124 Ca 0.03 -0.77 -0.13 0.00 -0.01 0.00 0.00 64.34 63.45 3g4s n VAL 124 Cb 0.25 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 3g4s n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g4s h ALA 125 N 0.77 0.50 -0.09 3.52 0.00 -1.18 -1.93 119.26 120.84 3g4s h ALA 125 Ca -0.42 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.02 3g4s h ALA 125 Cb 2.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 3g4s h ALA 125 CO 0.05 0.53 0.06 -1.13 0.00 0.00 0.00 179.25 178.76 3g4s n SER 126 N -4.19 3.53 0.00 0.00 3.41 -0.29 -1.36 113.62 114.73 3g4s n SER 126 Ca -0.03 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 3g4s n SER 126 Cb 0.49 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3g4s n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s n ALA 127 N 0.53 0.00 -1.79 7.33 0.00 -1.10 -5.03 120.51 120.44 3g4s n ALA 127 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3g4s n ALA 127 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 3g4s n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g4s s ALA 128 N 0.00 2.86 -0.05 0.00 0.00 -0.46 -4.24 121.76 119.87 3g4s s ALA 128 Ca 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 3g4s s ALA 128 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3g4s s ALA 128 CO 0.00 -0.38 -0.06 1.15 0.00 0.00 0.00 175.76 176.48 3g4s h THR 129 N 1.56 0.00 -4.19 0.00 2.02 -1.84 -3.48 112.91 106.97 3g4s h THR 129 Ca -0.49 -0.41 -0.69 0.00 0.77 0.00 0.00 66.41 65.58 3g4s h THR 129 Cb 1.23 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.39 3g4s h THR 129 CO 0.59 0.00 -0.86 -0.04 0.37 0.00 0.00 175.52 175.58 3g4s s MET 130 N -1.44 1.88 -0.14 6.66 -1.94 -1.26 -5.07 119.30 117.99 3g4s s MET 130 Ca -0.05 -1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 52.85 3g4s s MET 130 Cb 0.01 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.84 3g4s s MET 130 CO 0.07 0.52 -0.06 0.42 -0.01 0.00 0.00 175.02 175.96 3g4s s ILE 131 N -0.84 1.02 -0.98 2.53 1.01 -1.26 -1.29 121.20 121.38 3g4s s ILE 131 Ca 0.13 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.43 3g4s s ILE 131 Cb -0.10 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.30 3g4s s ILE 131 CO 0.03 0.24 0.75 0.52 0.00 0.00 0.00 174.94 176.48