#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 -7.83 -3.09 6.12 4.13 -1.26 -4.93 115.26 108.40 2a55 n ASN 1 Ca 0.00 1.08 -0.10 0.00 1.68 0.00 0.00 54.58 57.24 2a55 n ASN 1 Cb 0.00 -3.92 0.05 0.00 -1.54 0.00 0.00 39.78 34.37 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 s GLY 3 N -3.59 1.61 -0.29 0.00 0.00 -1.26 -3.91 107.32 99.87 2a55 s GLY 3 Ca 0.29 -0.56 -0.43 0.00 0.00 0.00 0.00 44.72 44.02 2a55 s GLY 3 CO 0.19 -0.26 1.50 -1.05 0.00 0.00 0.00 173.10 173.49 2a55 n PRO 4 N -2.70 0.38 -1.66 2.90 -0.02 -0.96 -4.75 135.00 128.19 2a55 n PRO 4 Ca 0.05 0.14 -0.60 0.00 -2.02 0.00 0.00 63.50 61.07 2a55 n PRO 4 Cb 0.57 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.28 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 3.68 0.60 -0.68 0.52 -0.02 -1.26 -4.95 135.00 132.89 2a55 n PRO 5 Ca 0.27 0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 2a55 n PRO 5 Cb 0.04 -1.80 0.23 0.00 -0.02 0.00 0.00 33.50 31.94 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 3.67 -3.33 -2.81 0.52 -0.04 -1.26 -4.96 135.00 126.79 2a55 n PRO 6 Ca 0.25 -1.42 -0.39 0.00 -0.04 0.00 0.00 63.50 61.90 2a55 n PRO 6 Cb 0.08 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2a55 n PRO 6 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2a55 n THR 7 N -4.79 5.34 -1.70 0.52 -1.04 -1.26 -4.97 114.28 106.39 2a55 n THR 7 Ca 0.13 -5.89 -0.55 0.00 -2.04 0.00 0.00 64.05 55.69 2a55 n THR 7 Cb 0.51 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 8 N 0.29 2.48 0.27 -4.42 4.32 -1.26 -4.81 117.00 113.86 2a55 n LEU 8 Ca 0.39 1.06 0.15 0.00 -0.02 0.00 0.00 56.01 57.60 2a55 n LEU 8 Cb 0.30 -1.18 0.66 0.00 -1.62 0.00 0.00 43.42 41.58 2a55 n LEU 8 CO 0.54 -0.44 0.95 0.28 -1.22 0.00 0.00 177.39 177.51 2a55 h SER 9 N 7.21 0.00 1.33 -1.43 0.02 -2.01 -2.29 113.55 116.38 2a55 h SER 9 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2a55 h SER 9 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2a55 h SER 9 CO 0.94 0.07 0.00 -0.26 -1.14 0.00 0.00 176.83 176.44 2a55 h PHE 10 N 0.00 0.00 -0.98 3.45 -1.00 -1.95 -3.44 116.94 113.02 2a55 h PHE 10 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2a55 h PHE 10 Cb 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2a55 h PHE 10 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 2a55 n ALA 11 N -1.88 0.00 -3.63 2.45 0.00 -0.86 -3.30 120.51 113.28 2a55 n ALA 11 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2a55 n ALA 11 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.63 -1.89 0.36 0.00 0.00 0.10 -4.66 121.76 114.05 2a55 s ALA 12 Ca 0.00 2.06 -0.25 0.00 0.00 0.00 0.00 51.96 53.77 2a55 s ALA 12 Cb 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 23.12 21.66 2a55 s ALA 12 CO 0.00 -0.32 0.88 -2.30 0.00 0.00 0.00 175.76 174.02 2a55 n PRO 13 N 2.87 1.10 0.00 0.00 -0.02 -1.26 -0.51 135.00 137.18 2a55 n PRO 13 Ca -0.15 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2a55 n PRO 13 Cb 0.56 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N 0.50 0.18 -3.00 -0.52 1.56 -1.26 -4.74 117.12 109.84 2a55 n MET 14 Ca 0.10 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.38 2a55 n MET 14 Cb 0.36 -0.01 -0.00 0.00 2.15 0.00 0.00 33.22 35.71 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2a55 n ASP 15 N 0.00 -0.91 0.00 6.12 2.03 -1.26 -4.88 116.55 117.66 2a55 n ASP 15 Ca 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.20 2a55 n ASP 15 Cb 0.00 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 1.01 0.00 -1.15 5.18 3.06 -1.26 -4.58 119.36 121.62 2a55 n ILE 16 Ca 0.16 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.36 2a55 n ILE 16 Cb 0.62 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.78 2a55 n ILE 16 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2a55 n THR 17 N -0.71 0.00 -2.94 9.51 -1.04 -1.26 -3.86 114.28 113.98 2a55 n THR 17 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2a55 n THR 17 Cb 0.00 -1.09 0.03 0.00 -1.82 0.00 0.00 70.33 67.45 2a55 n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2a55 n LEU 18 N -0.58 -1.98 0.00 -4.42 -0.00 -1.26 -4.88 117.00 103.89 2a55 n LEU 18 Ca -0.05 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2a55 n LEU 18 Cb 0.46 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 2a55 n LEU 18 CO 0.08 -0.07 0.00 1.07 -0.00 0.00 0.00 177.39 178.47 2a55 n THR 19 N -0.06 0.00 -1.25 1.96 5.66 -1.25 -5.12 114.28 114.23 2a55 n THR 19 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2a55 n THR 19 Cb 0.53 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2a55 n THR 19 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2a55 n GLU 20 N 0.00 0.17 0.00 1.09 2.13 -1.26 -5.07 120.64 117.69 2a55 n GLU 20 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2a55 n GLU 20 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2a55 n THR 21 N -1.82 0.00 -4.36 6.31 -2.24 -1.26 -4.98 114.28 105.94 2a55 n THR 21 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 21 Cb 0.00 -0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 67.42 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -1.83 1.34 -0.23 -0.78 0.52 -1.26 -2.27 118.95 114.44 2a55 s ARG 22 Ca 0.00 -1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 53.73 2a55 s ARG 22 Cb 0.00 -1.46 0.09 0.00 0.52 0.00 0.00 34.95 34.10 2a55 s ARG 22 CO 0.00 0.30 0.18 -0.06 0.02 0.00 0.00 175.30 175.74 2a55 s PHE 23 N -1.98 -0.07 1.10 -0.53 0.40 -1.25 -4.91 117.98 110.74 2a55 s PHE 23 Ca 0.17 -0.19 -0.18 0.00 -0.60 0.00 0.00 56.93 56.13 2a55 s PHE 23 Cb -0.06 -0.57 0.14 0.00 0.51 0.00 0.00 43.02 43.04 2a55 s PHE 23 CO 0.08 -0.68 0.12 0.36 0.70 0.00 0.00 175.22 175.80 2a55 n LYS 24 N 5.29 -2.03 -1.08 0.44 2.85 -1.26 -2.23 118.16 120.14 2a55 n LYS 24 Ca -0.05 -0.59 -0.29 0.00 -1.05 0.00 0.00 58.31 56.33 2a55 n LYS 24 Cb 0.47 -1.62 0.17 0.00 -0.65 0.00 0.00 35.03 33.40 2a55 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2a55 s THR 25 N -2.16 2.35 0.00 0.58 -4.23 -1.26 -2.95 115.64 107.97 2a55 s THR 25 Ca 0.49 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 2a55 s THR 25 Cb -0.09 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2a55 s THR 25 CO 0.54 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2a55 n GLY 26 N -0.78 0.66 0.70 3.99 0.00 -1.03 -4.76 105.19 103.97 2a55 n GLY 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2a55 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a55 n THR 27 N -1.98 0.14 -0.20 2.61 5.66 -1.15 -4.90 114.28 114.46 2a55 n THR 27 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 2a55 n THR 27 Cb 0.00 -0.37 -0.01 0.00 -1.55 0.00 0.00 70.33 68.40 2a55 n THR 27 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2a55 n THR 28 N 0.53 0.00 -3.01 1.09 -1.04 -1.26 -4.84 114.28 105.74 2a55 n THR 28 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a55 n THR 28 Cb 0.12 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 2a55 n THR 28 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 29 N 0.34 0.00 0.00 -4.42 4.32 0.11 -4.94 117.00 112.41 2a55 n LEU 29 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2a55 n LEU 29 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2a55 n LEU 29 CO 0.09 -0.40 0.00 0.29 -1.22 0.00 0.00 177.39 176.16 2a55 n LYS 30 N -0.79 0.00 -1.18 3.23 4.76 -1.26 -3.87 118.16 119.04 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2a55 n TYR 31 N -1.17 -3.21 -4.85 2.13 4.02 -1.26 -4.28 117.16 108.54 2a55 n TYR 31 Ca 0.00 1.70 -0.27 0.00 -0.01 0.00 0.00 57.90 59.32 2a55 n TYR 31 Cb 0.00 -2.87 -0.16 0.00 -0.02 0.00 0.00 39.34 36.28 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -2.63 1.49 0.11 -0.72 -1.32 0.34 -4.84 115.64 108.06 2a55 s THR 32 Ca 0.00 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.46 2a55 s THR 32 Cb 0.00 -1.30 -0.06 0.00 -1.51 0.00 0.00 72.50 69.62 2a55 s THR 32 CO 0.00 0.43 1.15 0.00 -2.21 0.00 0.00 174.62 173.99 2a55 n LEU 34 N 3.24 -0.04 -4.49 0.00 4.77 -1.21 -4.69 117.00 114.59 2a55 n LEU 34 Ca 0.06 0.35 -0.45 0.00 -0.03 0.00 0.00 56.01 55.94 2a55 n LEU 34 Cb 0.46 -1.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 2a55 n LEU 34 CO 0.55 -3.56 1.93 -2.65 -1.33 0.00 0.00 177.39 172.33 2a55 n PRO 35 N -1.73 0.98 0.00 3.23 -0.02 -1.26 -0.76 135.00 135.44 2a55 n PRO 35 Ca 0.07 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2a55 n PRO 35 Cb 0.53 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N 6.34 1.08 3.57 -1.23 0.00 -1.26 -5.03 105.19 108.66 2a55 n GLY 36 Ca 0.43 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N -0.73 1.37 0.27 1.61 2.02 0.06 -0.69 117.35 121.27 2a55 s TYR 37 Ca 0.00 1.67 -0.16 0.00 -0.37 0.00 0.00 57.07 58.21 2a55 s TYR 37 Cb 0.00 -3.58 -0.08 0.00 -0.40 0.00 0.00 41.96 37.90 2a55 s TYR 37 CO 0.00 -1.28 0.71 0.08 -1.57 0.00 0.00 175.55 173.48 2a55 s VAL 38 N 14.21 4.68 0.47 0.71 1.01 -1.26 -4.58 120.40 135.64 2a55 s VAL 38 Ca 0.82 1.01 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 2a55 s VAL 38 Cb -0.08 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2a55 s VAL 38 CO 0.10 -0.03 0.97 0.00 0.00 0.00 0.00 175.10 176.14 2a55 s ARG 39 N -2.59 4.10 0.00 2.72 1.70 -1.26 0.63 118.95 124.26 2a55 s ARG 39 Ca 0.49 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.80 2a55 s ARG 39 Cb -0.13 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.09 2a55 s ARG 39 CO 0.19 -0.14 0.00 0.45 -1.08 0.00 0.00 175.30 174.72 2a55 n SER 40 N -1.06 0.00 -3.84 -2.89 2.88 -1.26 -4.82 113.62 102.64 2a55 n SER 40 Ca 0.07 -0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 56.96 2a55 n SER 40 Cb 0.54 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2a55 n SER 40 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2a55 s HIS 41 N 0.00 -0.02 0.00 0.66 3.76 -1.25 -5.05 115.29 113.39 2a55 s HIS 41 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 2a55 s HIS 41 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.68 2a55 s HIS 41 CO 0.00 -0.33 0.00 0.43 -0.85 0.00 0.00 174.74 173.99 2a55 n SER 42 N 1.32 0.00 0.00 1.40 7.64 -1.26 -4.11 113.62 118.60 2a55 n SER 42 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2a55 n SER 42 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2a55 n THR 43 N 0.00 0.00 0.00 0.44 -1.04 -1.26 -5.06 114.28 107.36 2a55 n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a55 n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2a55 n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2a55 n GLN 44 N 0.00 0.00 -3.64 -2.82 7.27 -1.26 -4.42 117.38 112.51 2a55 n GLN 44 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 2a55 n GLN 44 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2a55 s THR 45 N 0.00 0.00 -0.37 1.69 -4.23 -1.26 -5.00 115.64 106.47 2a55 s THR 45 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2a55 s THR 45 Cb 0.00 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.93 2a55 s THR 45 CO 0.00 0.00 0.14 -0.76 -0.54 0.00 0.00 174.62 173.46 2a55 s LEU 46 N -0.61 4.85 0.17 4.79 1.43 -1.25 -4.58 118.68 123.49 2a55 s LEU 46 Ca 0.07 -1.83 0.11 0.00 -1.03 0.00 0.00 54.13 51.45 2a55 s LEU 46 Cb -0.02 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2a55 s LEU 46 CO -0.10 -0.45 -0.24 -0.89 0.23 0.00 0.00 176.35 174.89 2a55 s THR 47 N 1.15 2.28 -0.20 5.49 2.01 -1.24 0.06 115.64 125.19 2a55 s THR 47 Ca 0.05 -1.95 -0.26 0.00 0.31 0.00 0.00 61.69 59.85 2a55 s THR 47 Cb -0.22 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2a55 s THR 47 CO -0.04 -0.08 0.86 0.00 -0.69 0.00 0.00 174.62 174.68 2a55 s ASN 49 N 1.23 5.07 -1.40 0.00 2.20 -1.25 -2.47 114.94 118.31 2a55 s ASN 49 Ca 0.38 -0.88 -0.10 0.00 -0.94 0.00 0.00 52.86 51.32 2a55 s ASN 49 Cb -0.16 0.29 0.08 0.00 -2.00 0.00 0.00 41.25 39.46 2a55 s ASN 49 CO 0.10 -1.31 2.27 -0.24 -2.94 0.00 0.00 177.10 174.98 2a55 n SER 50 N -2.19 5.97 0.00 3.54 2.88 -1.26 -3.45 113.62 119.10 2a55 n SER 50 Ca 0.14 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2a55 n SER 50 Cb 0.62 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 4.03 0.00 -1.07 -3.46 -0.08 -1.26 -4.99 116.55 109.72 2a55 n ASP 51 Ca 0.55 -1.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.70 2a55 n ASP 51 Cb 0.32 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.73 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a55 n GLY 52 N 0.00 1.24 3.31 0.27 0.00 -1.22 -4.93 105.19 103.86 2a55 n GLY 52 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.04 1.23 -0.43 1.61 -1.05 -1.26 -4.57 118.70 111.19 2a55 s GLU 53 Ca 0.00 -1.53 -0.23 0.00 -0.15 0.00 0.00 54.97 53.07 2a55 s GLU 53 Cb 0.00 -0.96 0.02 0.00 -0.44 0.00 0.00 34.13 32.75 2a55 s GLU 53 CO 0.00 0.15 0.75 -1.58 0.95 0.00 0.00 175.26 175.53 2a55 s TRP 54 N -3.02 3.03 0.03 4.83 0.52 -1.26 -3.75 118.94 119.32 2a55 s TRP 54 Ca 0.20 0.18 -0.11 0.00 0.02 0.00 0.00 56.10 56.39 2a55 s TRP 54 Cb -0.00 -3.55 -0.06 0.00 -1.15 0.00 0.00 33.47 28.72 2a55 s TRP 54 CO 0.05 -0.92 0.37 0.08 0.02 0.00 0.00 176.95 176.55 2a55 s VAL 55 N 3.15 5.12 0.00 4.03 1.01 -1.22 -4.90 120.40 127.61 2a55 s VAL 55 Ca 0.28 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2a55 s VAL 55 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2a55 s VAL 55 CO 0.21 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.72 2a55 n TYR 56 N 1.29 0.00 -2.13 5.22 4.11 -1.26 -3.73 117.16 120.65 2a55 n TYR 56 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 2a55 n TYR 56 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2a55 n ASN 57 N 0.00 -2.38 -3.94 9.48 3.02 -1.26 -3.49 115.26 116.69 2a55 n ASN 57 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2a55 n ASN 57 Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2a55 n ASN 57 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2a55 n THR 58 N -0.73 4.21 0.24 3.41 -1.04 -1.26 -4.77 114.28 114.33 2a55 n THR 58 Ca 0.00 -4.25 0.16 0.00 -2.04 0.00 0.00 64.05 57.93 2a55 n THR 58 Cb 0.00 -2.40 0.72 0.00 -1.82 0.00 0.00 70.33 66.83 2a55 n THR 58 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2a55 h PHE 59 N 6.00 0.00 -2.46 -1.42 -5.15 -1.71 -3.33 116.94 108.86 2a55 h PHE 59 Ca 0.41 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 58.03 2a55 h PHE 59 Cb 0.67 0.00 -0.30 0.00 0.22 0.00 0.00 35.95 36.54 2a55 h PHE 59 CO 1.27 0.00 -0.45 0.00 -2.00 0.00 0.00 178.31 177.13 2a55 n ILE 61 N 5.37 0.00 -1.38 0.00 -5.35 0.21 -4.71 119.36 113.49 2a55 n ILE 61 Ca -0.07 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2a55 n ILE 61 Cb 0.50 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -0.81 -3.10 0.00 4.28 4.19 -1.13 -4.80 117.16 115.79 2a55 n TYR 62 Ca 0.11 1.79 0.00 0.00 3.31 0.00 0.00 57.90 63.10 2a55 n TYR 62 Cb 0.35 -3.01 0.00 0.00 0.49 0.00 0.00 39.34 37.17 2a55 n TYR 62 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2a55 n LYS 63 N 0.85 0.00 -1.98 2.98 4.76 0.13 -4.72 118.16 120.18 2a55 n LYS 63 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2a55 n LYS 63 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2a55 n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2a55 n ARG 64 N 0.00 -5.44 -3.92 1.97 1.74 -1.26 -4.86 116.66 104.90 2a55 n ARG 64 Ca 0.00 3.88 -0.26 0.00 -0.77 0.00 0.00 57.85 60.70 2a55 n ARG 64 Cb 0.00 -4.19 -0.03 0.00 -1.02 0.00 0.00 32.46 27.22 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a55 s ARG 66 N -3.28 4.27 0.03 0.00 6.06 -1.26 -4.84 118.95 119.92 2a55 s ARG 66 Ca 0.35 2.27 -0.38 0.00 -2.50 0.00 0.00 55.73 55.47 2a55 s ARG 66 Cb -0.11 -3.15 -0.19 0.00 0.06 0.00 0.00 34.95 31.56 2a55 s ARG 66 CO 0.29 -0.47 0.98 0.72 -2.50 0.00 0.00 175.30 174.31 2a55 n HIS 67 N 3.14 0.48 -0.33 5.12 8.25 -1.26 -4.78 115.22 125.85 2a55 n HIS 67 Ca 0.10 1.02 0.23 0.00 -0.26 0.00 0.00 57.72 58.81 2a55 n HIS 67 Cb 0.40 -2.03 0.45 0.00 1.12 0.00 0.00 29.99 29.93 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a55 h PRO 68 N 2.68 0.23 0.00 -0.41 0.13 -1.89 -3.48 132.00 129.26 2a55 h PRO 68 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.40 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2a55 h PRO 68 CO 0.62 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 2a55 n GLY 69 N -1.31 1.19 3.71 1.56 0.00 -1.26 -4.30 105.19 104.78 2a55 n GLY 69 Ca 0.30 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2a55 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a55 s GLU 70 N -1.36 4.53 -0.62 1.61 2.56 -1.26 -4.85 118.70 119.30 2a55 s GLU 70 Ca 0.00 1.28 -0.19 0.00 0.00 0.00 0.00 54.97 56.06 2a55 s GLU 70 Cb 0.00 -3.45 0.11 0.00 2.00 0.00 0.00 34.13 32.79 2a55 s GLU 70 CO 0.00 -0.01 0.75 -1.17 -0.56 0.00 0.00 175.26 174.27 2a55 s LEU 71 N 0.91 5.37 0.04 2.70 0.20 -1.26 -5.01 118.68 121.62 2a55 s LEU 71 Ca 0.48 -1.50 -0.30 0.00 0.69 0.00 0.00 54.13 53.50 2a55 s LEU 71 Cb -0.20 -2.31 -0.08 0.00 -0.43 0.00 0.00 46.19 43.16 2a55 s LEU 71 CO 0.26 -1.11 1.87 -0.60 -0.29 0.00 0.00 176.35 176.47 2a55 s ARG 72 N 2.66 4.15 0.00 1.98 3.52 -1.26 0.50 118.95 130.50 2a55 s ARG 72 Ca 0.13 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 2a55 s ARG 72 Cb -0.22 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 2a55 s ARG 72 CO 0.05 -0.90 0.00 0.09 -0.81 0.00 0.00 175.30 173.73 2a55 n ASN 73 N 7.06 0.00 -4.97 -2.12 3.02 -1.26 -4.67 115.26 112.31 2a55 n ASN 73 Ca 0.19 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.51 2a55 n ASN 73 Cb 0.41 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -1.76 2.02 -0.02 7.41 0.00 0.18 -0.15 107.32 115.00 2a55 s GLY 74 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 42.99 2a55 s GLY 74 CO 0.00 -1.80 -0.05 1.62 0.00 0.00 0.00 173.10 172.87 2a55 s GLN 75 N -4.48 0.60 -0.37 2.90 0.74 0.30 -4.44 119.66 114.90 2a55 s GLN 75 Ca 0.49 -0.15 -0.06 0.00 0.05 0.00 0.00 55.36 55.69 2a55 s GLN 75 Cb -0.04 -0.60 0.06 0.00 1.10 0.00 0.00 33.01 33.53 2a55 s GLN 75 CO 0.31 0.04 0.15 0.54 -0.55 0.00 0.00 175.29 175.78 2a55 s VAL 76 N 0.32 3.75 -0.58 1.34 0.11 -1.26 -0.66 120.40 123.41 2a55 s VAL 76 Ca -0.04 -1.37 -0.27 0.00 -2.93 0.00 0.00 61.98 57.37 2a55 s VAL 76 Cb -0.08 -3.24 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 2a55 s VAL 76 CO -0.00 -0.34 1.86 -0.70 -3.33 0.00 0.00 175.10 172.59 2a55 s GLU 77 N 1.35 2.69 -0.02 1.54 2.56 0.17 -4.96 118.70 122.04 2a55 s GLU 77 Ca 0.01 0.70 0.05 0.00 0.00 0.00 0.00 54.97 55.72 2a55 s GLU 77 Cb -0.21 -4.37 -0.03 0.00 2.00 0.00 0.00 34.13 31.52 2a55 s GLU 77 CO 0.01 -2.65 -0.15 0.42 -0.56 0.00 0.00 175.26 172.33 2a55 s ILE 78 N 8.89 3.04 0.00 -3.70 -1.09 -1.26 -4.17 121.20 122.91 2a55 s ILE 78 Ca 0.69 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 2a55 s ILE 78 Cb -0.13 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 2a55 s ILE 78 CO 0.22 0.50 0.00 2.29 -1.23 0.00 0.00 174.94 176.72 2a55 n LYS 79 N 2.02 0.00 0.00 2.79 0.00 -1.26 -4.92 118.16 116.79 2a55 n LYS 79 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.16 2a55 n LYS 79 Cb 0.52 0.00 0.12 0.00 -0.00 0.00 0.00 35.03 35.67 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -2.09 0.00 -0.88 0.58 -2.24 -1.26 -4.81 114.28 103.59 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N -0.59 -4.14 0.00 3.42 8.00 -1.26 -3.08 116.55 118.90 2a55 n ASP 81 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2a55 n ASP 81 Cb 0.01 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N 0.00 0.00 -0.77 0.64 7.99 -1.26 -4.61 117.00 118.99 2a55 n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2a55 n LEU 82 Cb 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2a55 n LEU 82 CO 0.00 0.00 0.12 -1.54 -1.51 0.00 0.00 177.39 174.46 2a55 n SER 83 N 0.67 -0.24 -1.70 -1.43 3.41 -1.18 -3.79 113.62 109.36 2a55 n SER 83 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2a55 n SER 83 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a55 n PHE 84 N 0.73 -1.86 -0.78 7.33 7.35 -1.26 -4.65 117.46 124.30 2a55 n PHE 84 Ca 0.00 1.06 0.00 0.00 -0.76 0.00 0.00 57.45 57.75 2a55 n PHE 84 Cb 0.06 -1.69 0.00 0.00 0.35 0.00 0.00 39.48 38.20 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N 1.22 0.77 3.54 7.13 0.00 -1.24 -4.99 105.19 111.62 2a55 n GLY 85 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 86 N -2.41 -0.66 -0.24 1.61 1.04 -1.26 -4.97 113.70 106.81 2a55 s SER 86 Ca 0.00 1.26 -0.01 0.00 0.48 0.00 0.00 55.95 57.68 2a55 s SER 86 Cb 0.00 1.27 -0.15 0.00 0.10 0.00 0.00 66.02 67.24 2a55 s SER 86 CO 0.00 -0.23 -0.23 0.00 0.98 0.00 0.00 173.24 173.75 2a55 n GLN 87 N 2.67 0.58 -3.04 4.02 3.00 -1.18 -1.91 117.38 121.53 2a55 n GLN 87 Ca -0.14 0.16 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 2a55 n GLN 87 Cb 0.56 -1.46 0.01 0.00 0.00 0.00 0.00 30.24 29.34 2a55 n GLN 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2a55 n ILE 88 N -3.37 -7.24 -0.79 5.09 -5.35 -1.26 0.14 119.36 106.58 2a55 n ILE 88 Ca -0.44 0.93 -0.29 0.00 -0.27 0.00 0.00 62.75 62.69 2a55 n ILE 88 Cb 0.93 -5.15 0.21 0.00 -1.74 0.00 0.00 39.64 33.90 2a55 n ILE 88 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2a55 s GLU 89 N -1.77 -0.18 0.23 6.28 2.02 -1.25 -4.16 118.70 119.88 2a55 s GLU 89 Ca 0.12 0.83 0.02 0.00 0.02 0.00 0.00 54.97 55.95 2a55 s GLU 89 Cb -0.02 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 2a55 s GLU 89 CO 0.55 -3.22 0.05 1.19 0.02 0.00 0.00 175.26 173.86 2a55 n PHE 90 N -4.56 0.24 -3.57 1.61 3.72 -1.09 -0.65 117.46 113.15 2a55 n PHE 90 Ca 0.05 -1.38 -0.01 0.00 -0.05 0.00 0.00 57.45 56.06 2a55 n PHE 90 Cb 0.55 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a55 s SER 91 N -2.38 -0.90 -0.31 4.37 0.01 0.17 -4.89 113.70 109.76 2a55 s SER 91 Ca 0.08 1.27 -0.21 0.00 1.31 0.00 0.00 55.95 58.40 2a55 s SER 91 Cb 0.00 1.93 -0.01 0.00 0.21 0.00 0.00 66.02 68.15 2a55 s SER 91 CO 0.05 -0.18 0.65 0.00 0.41 0.00 0.00 173.24 174.17 2a55 n SER 93 N 5.92 -2.95 -4.32 0.00 3.41 0.78 -4.61 113.62 111.85 2a55 n SER 93 Ca -0.01 0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.24 2a55 n SER 93 Cb 0.49 -0.84 0.03 0.00 -0.26 0.00 0.00 64.21 63.63 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.13 0.19 0.00 4.33 2.13 -1.26 -1.39 120.64 124.51 2a55 n GLU 94 Ca 0.00 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2a55 n GLU 94 Cb 0.64 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 31.01 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N 2.26 1.48 3.46 8.31 0.00 -1.26 -4.90 105.19 114.53 2a55 n GLY 95 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 2.93 0.35 1.61 0.08 -0.48 -0.78 117.98 121.70 2a55 s PHE 96 Ca 0.00 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.72 2a55 s PHE 96 Cb 0.00 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 2a55 s PHE 96 CO 0.00 -0.07 0.48 -0.59 -0.10 0.00 0.00 175.22 174.95 2a55 s PHE 97 N 0.24 3.04 0.10 0.36 -0.71 -0.21 -3.92 117.98 116.88 2a55 s PHE 97 Ca -0.05 -0.26 -0.15 0.00 -1.04 0.00 0.00 56.93 55.43 2a55 s PHE 97 Cb -0.15 -2.06 -0.07 0.00 -1.21 0.00 0.00 43.02 39.54 2a55 s PHE 97 CO 0.04 -0.08 0.52 -1.17 -1.34 0.00 0.00 175.22 173.18 2a55 s LEU 98 N -4.20 4.39 -0.25 -1.99 0.20 -1.26 -2.87 118.68 112.70 2a55 s LEU 98 Ca 0.47 1.06 -0.11 0.00 0.69 0.00 0.00 54.13 56.24 2a55 s LEU 98 Cb -0.09 -3.07 0.09 0.00 -0.43 0.00 0.00 46.19 42.69 2a55 s LEU 98 CO 0.31 0.17 0.58 -0.63 -0.29 0.00 0.00 176.35 176.50 2a55 s ILE 99 N -1.34 -0.44 0.00 6.68 1.01 -0.81 -4.97 121.20 121.33 2a55 s ILE 99 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2a55 s ILE 99 Cb -0.16 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.43 2a55 s ILE 99 CO 0.18 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2a55 n GLY 100 N 4.86 1.12 3.15 6.18 0.00 -1.26 0.81 105.19 120.05 2a55 n GLY 100 Ca -0.16 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.76 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 101 N -1.29 -0.13 0.00 1.61 1.04 -1.26 -5.01 113.70 108.66 2a55 s SER 101 Ca 0.00 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2a55 s SER 101 Cb 0.00 1.08 0.01 0.00 0.10 0.00 0.00 66.02 67.21 2a55 s SER 101 CO 0.00 -0.02 1.00 0.35 0.98 0.00 0.00 173.24 175.55 2a55 n THR 102 N 5.09 1.97 -4.46 2.02 -2.24 -1.26 -4.54 114.28 110.86 2a55 n THR 102 Ca 0.08 0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 62.12 2a55 n THR 102 Cb 0.58 -1.50 -0.10 0.00 -2.10 0.00 0.00 70.33 67.21 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -3.00 2.53 -0.25 4.28 -4.23 -1.26 -2.68 115.64 111.03 2a55 s THR 103 Ca -0.00 -2.27 -0.02 0.00 -1.18 0.00 0.00 61.69 58.22 2a55 s THR 103 Cb 0.00 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.49 2a55 s THR 103 CO 0.00 -0.33 0.39 -0.44 -0.54 0.00 0.00 174.62 173.70 2a55 s SER 104 N -3.57 0.26 0.09 3.99 0.01 0.37 -4.87 113.70 109.99 2a55 s SER 104 Ca 0.31 0.12 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 2a55 s SER 104 Cb -0.03 1.13 -0.07 0.00 0.21 0.00 0.00 66.02 67.26 2a55 s SER 104 CO 0.16 -0.31 0.57 -0.13 0.41 0.00 0.00 173.24 173.95 2a55 s ARG 105 N 2.55 4.17 -0.38 12.44 0.52 -1.23 -3.10 118.95 133.92 2a55 s ARG 105 Ca 0.12 0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 55.85 2a55 s ARG 105 Cb -0.15 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.15 2a55 s ARG 105 CO -0.19 0.60 0.55 0.00 0.02 0.00 0.00 175.30 176.29 2a55 s GLU 107 N 2.51 2.25 -0.04 0.00 2.12 0.31 -3.64 118.70 122.22 2a55 s GLU 107 Ca 0.20 -2.04 0.00 0.00 0.36 0.00 0.00 54.97 53.49 2a55 s GLU 107 Cb -0.15 -1.98 0.03 0.00 0.26 0.00 0.00 34.13 32.28 2a55 s GLU 107 CO 0.15 -0.46 -0.01 0.08 -0.54 0.00 0.00 175.26 174.48 2a55 s VAL 108 N -2.75 0.28 -0.05 3.70 1.01 -1.26 0.12 120.40 121.45 2a55 s VAL 108 Ca 0.30 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2a55 s VAL 108 Cb -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2a55 s VAL 108 CO 0.18 0.18 -0.17 -1.10 0.00 0.00 0.00 175.10 174.19 2a55 s GLN 109 N 1.14 1.89 0.27 2.72 -0.21 -1.26 -4.63 119.66 119.58 2a55 s GLN 109 Ca -0.08 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.69 2a55 s GLN 109 Cb -0.14 -1.61 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2a55 s GLN 109 CO -0.02 0.21 0.00 -0.25 -2.12 0.00 0.00 175.29 173.12 2a55 n ASP 110 N 3.26 0.00 0.00 5.90 8.00 -1.26 -2.27 116.55 130.18 2a55 n ASP 110 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2a55 n ASP 110 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a55 n ARG 111 N 0.00 0.00 -0.40 -1.24 1.85 -1.26 -4.97 116.66 110.64 2a55 n ARG 111 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.92 2a55 n ARG 111 Cb 0.00 0.00 0.15 0.00 -1.05 0.00 0.00 32.46 31.56 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a55 n GLY 112 N 0.00 4.50 1.38 2.89 0.00 -0.96 -5.04 105.19 107.96 2a55 n GLY 112 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2a55 n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a55 n VAL 113 N -1.11 -2.81 -4.83 1.61 3.14 -1.24 -4.84 118.33 108.25 2a55 n VAL 113 Ca 0.16 1.30 -0.30 0.00 -2.96 0.00 0.00 64.34 62.53 2a55 n VAL 113 Cb 0.69 -1.81 -0.14 0.00 -1.06 0.00 0.00 33.84 31.52 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -3.45 1.46 -0.24 7.55 0.00 0.31 -4.48 107.32 108.48 2a55 s GLY 114 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 44.72 43.33 2a55 s GLY 114 CO 0.00 -1.14 0.34 0.86 0.00 0.00 0.00 173.10 173.16 2a55 s TRP 115 N -0.84 3.31 -0.00 1.90 -0.00 -1.26 -0.53 118.94 121.52 2a55 s TRP 115 Ca 0.13 0.45 -0.14 0.00 -0.00 0.00 0.00 56.10 56.54 2a55 s TRP 115 Cb -0.10 -2.49 -0.08 0.00 -0.00 0.00 0.00 33.47 30.80 2a55 s TRP 115 CO 0.03 -0.08 0.80 0.66 -0.00 0.00 0.00 176.95 178.36 2a55 h SER 116 N 7.72 -0.43 -4.10 5.86 4.64 -1.87 -3.47 113.55 121.89 2a55 h SER 116 Ca -0.35 0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.59 2a55 h SER 116 Cb 1.16 0.11 -0.28 0.00 -0.31 0.00 0.00 62.40 63.09 2a55 h SER 116 CO 0.67 -0.18 -0.78 -1.00 -0.87 0.00 0.00 176.83 174.68 2a55 s HIS 117 N -3.43 0.86 0.00 4.77 3.76 -1.26 -5.01 115.29 114.98 2a55 s HIS 117 Ca -0.07 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2a55 s HIS 117 Cb 0.01 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 33.15 2a55 s HIS 117 CO 0.22 -0.01 0.00 -0.35 -0.85 0.00 0.00 174.74 173.75 2a55 n PRO 118 N 2.69 0.00 -4.35 8.40 -0.04 -1.26 -4.70 135.00 135.74 2a55 n PRO 118 Ca -0.14 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 2a55 n PRO 118 Cb 0.56 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.90 2a55 n PRO 118 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a55 s LEU 119 N 0.00 2.51 0.00 1.53 1.43 -1.26 -4.82 118.68 118.07 2a55 s LEU 119 Ca 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2a55 s LEU 119 Cb 0.00 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2a55 s LEU 119 CO 0.00 0.18 0.00 -0.81 0.23 0.00 0.00 176.35 175.95 2a55 n PRO 120 N 0.87 3.42 -3.69 1.29 -0.04 -1.26 -4.94 135.00 130.65 2a55 n PRO 120 Ca -0.17 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.07 2a55 n PRO 120 Cb 0.53 0.00 -0.18 0.00 -0.04 0.00 0.00 33.50 33.81 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N 0.04 0.15 -0.39 0.54 -0.44 0.24 -4.95 119.66 114.85 2a55 s GLN 121 Ca 0.00 0.21 -0.13 0.00 -2.50 0.00 0.00 55.36 52.94 2a55 s GLN 121 Cb 0.00 -0.87 0.02 0.00 -1.64 0.00 0.00 33.01 30.52 2a55 s GLN 121 CO 0.00 -0.38 0.26 0.00 0.50 0.00 0.00 175.29 175.67 2a55 s GLU 123 N 1.63 0.98 0.50 0.00 2.12 -1.14 -4.93 118.70 117.86 2a55 s GLU 123 Ca 0.04 -0.72 -0.22 0.00 0.36 0.00 0.00 54.97 54.42 2a55 s GLU 123 Cb -0.19 -0.99 -0.06 0.00 0.26 0.00 0.00 34.13 33.15 2a55 s GLU 123 CO 0.09 0.25 1.24 -1.50 -0.54 0.00 0.00 175.26 174.79 2a55 s ILE 124 N -0.76 2.70 0.70 -3.70 2.07 -1.26 -1.05 121.20 119.91 2a55 s ILE 124 Ca 0.02 0.52 -0.15 0.00 -1.41 0.00 0.00 60.65 59.64 2a55 s ILE 124 Cb -0.07 -3.26 0.02 0.00 0.13 0.00 0.00 42.46 39.28 2a55 s ILE 124 CO 0.01 -0.01 1.15 -0.76 -1.91 0.00 0.00 174.94 173.42 2a55 s LEU 125 N -3.26 3.33 -0.34 8.50 1.43 0.04 -4.84 118.68 123.54 2a55 s LEU 125 Ca 0.67 2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 55.64 2a55 s LEU 125 Cb -0.33 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.33 2a55 s LEU 125 CO 0.39 -1.97 1.27 -1.61 0.23 0.00 0.00 176.35 174.67 2a55 s GLU 126 N -4.05 3.87 0.00 1.70 0.41 -1.26 -4.83 118.70 114.53 2a55 s GLU 126 Ca 0.70 1.11 0.00 0.00 -0.41 0.00 0.00 54.97 56.37 2a55 s GLU 126 Cb -0.24 -3.88 0.00 0.00 -1.78 0.00 0.00 34.13 28.22 2a55 s GLU 126 CO 0.44 -1.18 0.00 0.72 -0.49 0.00 0.00 175.26 174.75 2a55 n HIS 127 N 7.72 0.00 -1.39 1.61 8.25 -1.26 -5.00 115.22 125.15 2a55 n HIS 127 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 2a55 n HIS 127 Cb 0.47 0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 2a55 n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a55 n HIS 128 N -2.40 -0.01 -4.79 4.41 8.25 -1.26 -4.95 115.22 114.47 2a55 n HIS 128 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2a55 n HIS 128 Cb 0.00 -2.95 -0.13 0.00 1.12 0.00 0.00 29.99 28.03 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 129 N -2.14 2.79 -0.21 4.41 5.04 -1.26 -5.10 115.29 118.82 2a55 s HIS 129 Ca 0.00 -0.37 0.01 0.00 -1.54 0.00 0.00 55.06 53.15 2a55 s HIS 129 Cb 0.00 -1.75 0.05 0.00 0.04 0.00 0.00 32.58 30.91 2a55 s HIS 129 CO 0.00 0.00 -0.07 -1.01 -2.34 0.00 0.00 174.74 171.32 2a55 s HIS 130 N -0.17 2.28 -0.70 3.88 3.76 -1.26 -4.97 115.29 118.11 2a55 s HIS 130 Ca 0.00 -1.57 0.26 0.00 -0.15 0.00 0.00 55.06 53.60 2a55 s HIS 130 Cb -0.13 -1.56 0.86 0.00 1.11 0.00 0.00 32.58 32.86 2a55 s HIS 130 CO 0.03 -0.73 1.77 -2.39 -0.85 0.00 0.00 174.74 172.57 2a55 n HIS 131 N 4.71 0.86 -1.17 1.40 1.44 -1.26 -5.33 115.22 115.87 2a55 n HIS 131 Ca -0.13 0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 2a55 n HIS 131 Cb 0.46 -0.93 0.00 0.00 0.12 0.00 0.00 29.99 29.63 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11