#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 s GLN 2 N 0.00 2.48 0.04 2.12 -0.21 -1.26 -5.11 119.66 117.72 2kb0 s GLN 2 Ca 0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 55.36 54.51 2kb0 s GLN 2 Cb 0.00 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 2kb0 s GLN 2 CO 0.00 -0.31 0.07 -0.08 -2.12 0.00 0.00 175.29 172.85 2kb0 s THR 3 N 1.35 0.14 -0.15 -0.19 -1.32 -1.26 -4.29 115.64 109.92 2kb0 s THR 3 Ca 0.02 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.37 2kb0 s THR 3 Cb -0.15 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2kb0 s THR 3 CO -0.10 -0.63 -0.18 -0.63 -2.21 0.00 0.00 174.62 170.87 2kb0 s ILE 4 N -2.63 1.80 -0.03 5.08 1.01 -1.23 -5.03 121.20 120.16 2kb0 s ILE 4 Ca -0.05 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 2kb0 s ILE 4 Cb -0.01 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2kb0 s ILE 4 CO -0.05 0.50 0.68 -0.54 0.00 0.00 0.00 174.94 175.53 2kb0 s LYS 5 N 1.19 4.42 -0.13 2.79 1.02 -1.26 -3.36 119.74 124.40 2kb0 s LYS 5 Ca 0.00 0.86 -0.06 0.00 0.02 0.00 0.00 55.97 56.79 2kb0 s LYS 5 Cb -0.14 -3.41 0.06 0.00 -0.52 0.00 0.00 37.83 33.82 2kb0 s LYS 5 CO -0.08 0.18 0.30 0.00 -0.92 0.00 0.00 175.35 174.83 2kb0 s VAL 7 N 1.72 4.40 -0.11 0.00 1.01 -1.16 -0.54 120.40 125.71 2kb0 s VAL 7 Ca -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2kb0 s VAL 7 Cb -0.11 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2kb0 s VAL 7 CO -0.10 0.58 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 2kb0 s VAL 8 N -0.59 2.60 0.05 2.92 1.01 0.12 -1.35 120.40 125.16 2kb0 s VAL 8 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2kb0 s VAL 8 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2kb0 s VAL 8 CO 0.02 0.54 -0.04 0.68 0.00 0.00 0.00 175.10 176.30 2kb0 s VAL 9 N 0.29 0.35 0.22 2.92 -7.23 -1.09 -4.46 120.40 111.40 2kb0 s VAL 9 Ca -0.13 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 2kb0 s VAL 9 Cb -0.17 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.58 2kb0 s VAL 9 CO 0.07 -0.80 0.46 -0.83 -0.31 0.00 0.00 175.10 173.70 2kb0 s GLY 10 N -2.50 0.32 -0.21 2.32 0.00 -1.26 -3.02 107.32 102.97 2kb0 s GLY 10 Ca 0.02 -0.67 -0.24 0.00 0.00 0.00 0.00 44.72 43.83 2kb0 s GLY 10 CO -0.06 -0.54 0.77 -0.35 0.00 0.00 0.00 173.10 172.93 2kb0 s ASP 11 N -2.96 6.82 1.22 1.64 2.15 -1.26 -4.76 116.67 119.51 2kb0 s ASP 11 Ca 0.17 1.01 0.00 0.00 0.43 0.00 0.00 52.55 54.16 2kb0 s ASP 11 Cb -0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2kb0 s ASP 11 CO 0.04 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2kb0 n GLY 12 N 3.70 1.46 0.00 2.66 0.00 -1.26 -4.34 105.19 107.42 2kb0 n GLY 12 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 n ALA 13 N 7.76 0.00 -1.00 4.61 0.00 -1.26 -5.05 120.51 125.57 2kb0 n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kb0 n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kb0 n ALA 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kb0 n VAL 14 N 0.00 0.00 -0.62 0.00 3.14 -1.26 -4.40 118.33 115.19 2kb0 n VAL 14 Ca 0.00 0.29 0.09 0.00 -2.96 0.00 0.00 64.34 61.76 2kb0 n VAL 14 Cb 0.00 -0.68 0.36 0.00 -1.06 0.00 0.00 33.84 32.46 2kb0 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kb0 n GLY 15 N 1.58 2.72 0.36 7.55 0.00 -1.26 -4.43 105.19 111.70 2kb0 n GLY 15 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kb0 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kb0 h LYS 16 N 4.00 1.08 -0.06 1.61 3.64 -1.94 -2.25 116.57 122.64 2kb0 h LYS 16 Ca 0.00 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 2kb0 h LYS 16 Cb 1.56 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kb0 h LYS 16 CO 0.29 0.71 -0.80 1.79 -2.27 0.00 0.00 179.45 179.17 2kb0 h THR 17 N 1.11 1.38 -0.09 1.00 1.35 -1.85 -3.17 112.91 112.64 2kb0 h THR 17 Ca 0.31 -2.24 0.01 0.00 -0.55 0.00 0.00 66.41 63.94 2kb0 h THR 17 Cb -0.10 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2kb0 h THR 17 CO -0.07 0.67 0.06 0.00 -0.25 0.00 0.00 175.52 175.93 2kb0 h LEU 19 N 0.10 0.79 -0.11 0.00 5.85 -1.47 -1.73 115.31 118.74 2kb0 h LEU 19 Ca 0.04 -0.38 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 2kb0 h LEU 19 Cb 0.02 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 40.84 2kb0 h LEU 19 CO -0.01 0.98 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.54 2kb0 h LEU 20 N 0.59 0.60 -0.73 2.25 3.38 -1.53 -3.26 115.31 116.60 2kb0 h LEU 20 Ca 0.10 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 2kb0 h LEU 20 Cb 0.65 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2kb0 h LEU 20 CO 0.04 1.13 -0.00 -0.29 0.09 0.00 0.00 178.44 179.41 2kb0 h ILE 21 N 0.11 1.26 -0.75 1.22 6.09 -1.39 -2.74 117.51 121.31 2kb0 h ILE 21 Ca -0.03 -1.11 0.14 0.00 -1.37 0.00 0.00 64.86 62.49 2kb0 h ILE 21 Cb 1.10 0.83 -0.05 0.00 0.47 0.00 0.00 36.82 39.17 2kb0 h ILE 21 CO 0.10 0.40 0.50 0.28 -3.07 0.00 0.00 178.15 176.35 2kb0 h SER 22 N 0.89 0.43 -0.20 2.19 0.02 -1.36 0.01 113.55 115.54 2kb0 h SER 22 Ca 0.16 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 2kb0 h SER 22 Cb 0.52 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2kb0 h SER 22 CO 0.03 0.23 -0.44 0.22 -1.14 0.00 0.00 176.83 175.73 2kb0 h TYR 23 N 0.46 0.91 -0.93 3.45 3.20 -1.53 0.88 116.97 123.41 2kb0 h TYR 23 Ca 0.37 -0.29 0.18 0.00 3.14 0.00 0.00 58.73 62.13 2kb0 h TYR 23 Cb 0.77 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 2kb0 h TYR 23 CO -0.00 1.06 0.60 1.15 -1.64 0.00 0.00 178.16 179.32 2kb0 h THR 24 N 0.61 0.75 0.00 1.81 2.02 -0.93 -3.40 112.91 113.76 2kb0 h THR 24 Ca 0.04 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2kb0 h THR 24 Cb 1.00 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2kb0 h THR 24 CO 0.10 0.11 0.00 1.07 0.37 0.00 0.00 175.52 177.17 2kb0 n THR 25 N -4.60 0.00 -0.07 3.16 5.66 -1.14 -5.12 114.28 112.18 2kb0 n THR 25 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 2kb0 n THR 25 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2kb0 n THR 25 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2kb0 n ASN 26 N 0.00 -0.39 -0.23 1.09 2.85 0.30 -4.82 115.26 114.06 2kb0 n ASN 26 Ca 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.39 2kb0 n ASN 26 Cb 0.00 -0.08 0.04 0.00 1.24 0.00 0.00 39.78 40.97 2kb0 n ASN 26 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2kb0 h LYS 27 N 0.00 1.04 -0.60 1.20 3.64 -1.75 -3.26 116.57 116.83 2kb0 h LYS 27 Ca 0.00 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2kb0 h LYS 27 Cb 0.00 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.60 2kb0 h LYS 27 CO 0.00 0.93 -0.49 0.74 -2.27 0.00 0.00 179.45 178.36 2kb0 h PHE 28 N 0.96 -1.55 0.00 1.91 -1.00 -1.94 0.45 116.94 115.77 2kb0 h PHE 28 Ca 0.20 0.09 0.00 0.00 2.81 0.00 0.00 57.97 61.08 2kb0 h PHE 28 Cb 0.36 0.76 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2kb0 h PHE 28 CO 0.03 -0.37 0.00 -0.35 -1.61 0.00 0.00 178.31 176.01 2kb0 n PRO 29 N -4.97 0.53 0.11 1.51 -0.04 -1.23 -3.79 135.00 127.12 2kb0 n PRO 29 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2kb0 n PRO 29 Cb 0.26 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2kb0 n PRO 29 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kb0 n SER 30 N 0.43 -0.03 -0.19 3.54 7.64 0.13 -4.97 113.62 120.17 2kb0 n SER 30 Ca 0.00 0.37 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 2kb0 n SER 30 Cb 0.18 0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.65 2kb0 n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kb0 n GLU 31 N -3.30 -1.88 0.00 1.43 1.02 0.10 -4.77 120.64 113.24 2kb0 n GLU 31 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2kb0 n GLU 31 Cb 0.00 -3.70 0.00 0.00 -0.02 0.00 0.00 31.44 27.72 2kb0 n GLU 31 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2kb0 n TYR 32 N -0.94 0.00 -3.99 -0.32 4.01 -1.26 -4.89 117.16 109.77 2kb0 n TYR 32 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 2kb0 n TYR 32 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 2kb0 n TYR 32 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2kb0 n VAL 33 N 0.00 -1.84 0.00 -0.72 3.14 -1.26 -4.89 118.33 112.76 2kb0 n VAL 33 Ca 0.00 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2kb0 n VAL 33 Cb 0.00 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.21 2kb0 n VAL 33 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2kb0 n PRO 34 N -3.89 0.00 -1.36 1.45 -0.04 -1.26 -4.92 135.00 124.99 2kb0 n PRO 34 Ca -0.08 0.27 -0.33 0.00 -0.04 0.00 0.00 63.50 63.32 2kb0 n PRO 34 Cb 0.40 -0.74 0.09 0.00 -0.04 0.00 0.00 33.50 33.21 2kb0 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb0 s ALA 35 N -3.38 2.12 0.29 0.55 0.00 -1.26 -4.96 121.76 115.12 2kb0 s ALA 35 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 2kb0 s ALA 35 Cb 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 2kb0 s ALA 35 CO 0.00 -1.86 1.10 0.54 0.00 0.00 0.00 175.76 175.55 2kb0 s VAL 36 N -2.36 3.46 0.26 0.00 0.11 -1.26 -5.04 120.40 115.57 2kb0 s VAL 36 Ca 0.69 1.44 0.11 0.00 -2.93 0.00 0.00 61.98 61.29 2kb0 s VAL 36 Cb -0.23 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.67 2kb0 s VAL 36 CO 0.48 0.32 -0.15 -0.36 -3.33 0.00 0.00 175.10 172.06 2kb0 s PHE 37 N -1.21 2.40 0.00 1.54 0.08 -1.26 -5.14 117.98 114.39 2kb0 s PHE 37 Ca 0.46 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2kb0 s PHE 37 Cb -0.31 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 2kb0 s PHE 37 CO 0.40 0.67 0.00 -0.40 -0.10 0.00 0.00 175.22 175.79 2kb0 n ASP 38 N -0.57 -0.51 -4.61 1.36 5.68 -1.26 -4.96 116.55 111.68 2kb0 n ASP 38 Ca -0.06 -0.47 -0.33 0.00 -0.50 0.00 0.00 54.79 53.43 2kb0 n ASP 38 Cb 0.59 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.70 2kb0 n ASP 38 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2kb0 n ASN 39 N -2.16 0.03 -4.48 -1.12 3.02 -1.26 -4.99 115.26 104.30 2kb0 n ASN 39 Ca 0.00 0.51 -0.33 0.00 -0.03 0.00 0.00 54.58 54.73 2kb0 n ASN 39 Cb 0.00 -1.41 -0.13 0.00 -0.61 0.00 0.00 39.78 37.64 2kb0 n ASN 39 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kb0 s TYR 40 N -2.24 2.97 -0.24 3.10 2.02 -1.26 -5.07 117.35 116.64 2kb0 s TYR 40 Ca 0.68 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.96 2kb0 s TYR 40 Cb -0.27 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2kb0 s TYR 40 CO 0.56 -0.04 0.06 0.00 -1.57 0.00 0.00 175.55 174.56 2kb0 s ALA 41 N 0.25 3.18 -0.04 3.71 0.00 -1.26 -3.71 121.76 123.87 2kb0 s ALA 41 Ca -0.04 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2kb0 s ALA 41 Cb -0.14 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 2kb0 s ALA 41 CO 0.03 -0.38 -0.15 0.08 0.00 0.00 0.00 175.76 175.35 2kb0 s VAL 42 N 1.41 1.27 -0.10 0.00 1.01 -1.14 -5.07 120.40 117.78 2kb0 s VAL 42 Ca 0.05 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2kb0 s VAL 42 Cb -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2kb0 s VAL 42 CO 0.03 0.37 0.20 -0.89 0.00 0.00 0.00 175.10 174.81 2kb0 s THR 43 N 0.13 5.40 -0.07 3.92 2.01 -1.26 -2.07 115.64 123.71 2kb0 s THR 43 Ca -0.05 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.35 2kb0 s THR 43 Cb -0.11 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2kb0 s THR 43 CO 0.02 0.59 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.61 2kb0 s VAL 44 N -0.87 2.18 -0.05 3.82 1.01 -0.92 -4.93 120.40 120.64 2kb0 s VAL 44 Ca 0.16 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2kb0 s VAL 44 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2kb0 s VAL 44 CO 0.05 0.57 0.00 -0.04 0.00 0.00 0.00 175.10 175.68 2kb0 s MET 45 N -0.10 2.91 -0.02 2.72 -1.94 -1.26 -2.04 119.30 119.57 2kb0 s MET 45 Ca -0.05 -0.48 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 2kb0 s MET 45 Cb -0.14 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 2kb0 s MET 45 CO 0.04 0.67 -0.20 0.42 -0.01 0.00 0.00 175.02 175.95 2kb0 s ILE 46 N -0.96 1.57 0.62 2.53 1.01 -1.23 -4.97 121.20 119.76 2kb0 s ILE 46 Ca 0.16 -0.85 0.23 0.00 0.00 0.00 0.00 60.65 60.19 2kb0 s ILE 46 Cb -0.11 -1.31 0.32 0.00 0.01 0.00 0.00 42.46 41.37 2kb0 s ILE 46 CO 0.05 0.44 1.47 1.23 0.00 0.00 0.00 174.94 178.14 2kb0 h GLY 47 N 5.66 0.00 0.00 6.18 0.00 -2.04 -3.11 103.07 109.76 2kb0 h GLY 47 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2kb0 h GLY 47 CO 0.48 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.63 2kb0 n GLY 48 N -1.58 1.60 3.35 4.60 0.00 -1.26 -5.03 105.19 106.87 2kb0 n GLY 48 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2kb0 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb0 s GLU 49 N 0.05 1.30 0.32 1.61 0.41 -1.18 -5.12 118.70 116.10 2kb0 s GLU 49 Ca 0.00 -1.34 -0.28 0.00 -0.41 0.00 0.00 54.97 52.94 2kb0 s GLU 49 Cb 0.00 -1.56 -0.09 0.00 -1.78 0.00 0.00 34.13 30.70 2kb0 s GLU 49 CO 0.00 0.35 1.15 -1.25 -0.49 0.00 0.00 175.26 175.01 2kb0 s PRO 50 N -2.36 4.42 0.07 0.39 0.04 -1.26 -3.57 135.00 132.74 2kb0 s PRO 50 Ca 0.14 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2kb0 s PRO 50 Cb -0.08 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2kb0 s PRO 50 CO 0.06 -0.00 -0.05 0.71 0.04 0.00 0.00 177.00 177.76 2kb0 s TYR 51 N -1.26 0.70 -0.01 0.56 2.02 -0.86 -4.97 117.35 113.53 2kb0 s TYR 51 Ca 0.49 -0.96 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 2kb0 s TYR 51 Cb -0.32 -0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 2kb0 s TYR 51 CO 0.41 -0.25 -0.09 0.99 -1.57 0.00 0.00 175.55 175.04 2kb0 s THR 52 N -3.63 3.45 -0.15 -0.71 2.01 -1.26 -2.15 115.64 113.20 2kb0 s THR 52 Ca 0.08 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2kb0 s THR 52 Cb 0.06 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 70.12 2kb0 s THR 52 CO -0.07 0.46 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.90 2kb0 s LEU 53 N -1.20 2.04 -0.12 4.42 2.96 -0.88 -3.49 118.68 122.42 2kb0 s LEU 53 Ca 0.15 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2kb0 s LEU 53 Cb -0.11 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2kb0 s LEU 53 CO 0.05 0.04 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.12 2kb0 s GLY 54 N 1.02 1.47 -0.11 7.98 0.00 -1.21 -2.86 107.32 113.61 2kb0 s GLY 54 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 2kb0 s GLY 54 CO -0.06 -0.22 -0.01 1.08 0.00 0.00 0.00 173.10 173.89 2kb0 s LEU 55 N 0.37 3.45 0.07 0.66 1.43 -1.24 -3.28 118.68 120.14 2kb0 s LEU 55 Ca -0.13 0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 2kb0 s LEU 55 Cb -0.17 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2kb0 s LEU 55 CO 0.06 0.31 -0.24 -0.36 0.23 0.00 0.00 176.35 176.35 2kb0 s PHE 56 N -0.45 2.39 0.20 0.29 0.08 0.30 -4.30 117.98 116.49 2kb0 s PHE 56 Ca 0.08 -0.36 -0.19 0.00 0.12 0.00 0.00 56.93 56.58 2kb0 s PHE 56 Cb -0.12 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 2kb0 s PHE 56 CO 0.02 0.22 0.56 0.16 -0.10 0.00 0.00 175.22 176.08 2kb0 s ASP 57 N -1.54 -0.30 0.27 1.36 1.47 -1.26 0.11 116.67 116.77 2kb0 s ASP 57 Ca 0.13 -0.44 -0.29 0.00 1.18 0.00 0.00 52.55 53.13 2kb0 s ASP 57 Cb -0.10 0.60 -0.10 0.00 -0.34 0.00 0.00 42.92 42.98 2kb0 s ASP 57 CO 0.04 -1.08 1.34 0.42 0.68 0.00 0.00 175.17 176.57 2kb0 s THR 58 N -3.86 2.86 -0.16 2.11 -4.23 -1.26 -5.00 115.64 106.10 2kb0 s THR 58 Ca 0.08 0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 61.29 2kb0 s THR 58 Cb -0.02 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 2kb0 s THR 58 CO -0.03 0.15 0.14 0.00 -0.54 0.00 0.00 174.62 174.34 2kb0 s ALA 59 N -0.48 3.77 0.52 3.99 0.00 -1.26 -4.97 121.76 123.33 2kb0 s ALA 59 Ca 0.54 -0.66 0.16 0.00 0.00 0.00 0.00 51.96 51.99 2kb0 s ALA 59 Cb -0.39 -2.09 1.26 0.00 0.00 0.00 0.00 23.12 21.91 2kb0 s ALA 59 CO 0.46 0.36 2.15 0.78 0.00 0.00 0.00 175.76 179.50 2kb0 h GLY 60 N 5.93 0.00 -4.06 0.00 0.00 -1.95 -2.89 103.07 100.10 2kb0 h GLY 60 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 2kb0 h GLY 60 CO 0.68 0.00 -0.19 -1.06 0.00 0.00 0.00 176.54 175.97 2kb0 n GLN 61 N -4.53 1.52 0.11 4.80 6.02 -1.26 -4.46 117.38 119.57 2kb0 n GLN 61 Ca -0.03 -0.71 0.15 0.00 -0.01 0.00 0.00 57.00 56.41 2kb0 n GLN 61 Cb 0.09 -1.80 0.68 0.00 1.02 0.00 0.00 30.24 30.23 2kb0 n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2kb0 h GLU 62 N 3.32 0.00 0.00 -1.09 5.08 -1.94 -0.10 114.58 119.85 2kb0 h GLU 62 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2kb0 h GLU 62 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kb0 h GLU 62 CO 0.25 0.00 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.77 2kb0 h ASP 63 N 0.00 0.00 -0.33 1.42 3.32 -1.91 -2.35 116.42 116.57 2kb0 h ASP 63 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2kb0 h ASP 63 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2kb0 h ASP 63 CO -0.00 0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.34 2kb0 n TYR 64 N -3.53 0.44 -0.30 4.55 4.01 -0.06 -4.62 117.16 117.64 2kb0 n TYR 64 Ca -0.02 -0.46 0.08 0.00 -0.16 0.00 0.00 57.90 57.34 2kb0 n TYR 64 Cb 0.15 -0.02 0.24 0.00 -0.31 0.00 0.00 39.34 39.39 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2kb0 h ASP 65 N 2.11 0.53 -7.08 7.72 3.32 -1.26 -3.44 116.42 118.33 2kb0 h ASP 65 Ca 0.00 0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 2kb0 h ASP 65 Cb 0.72 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2kb0 h ASP 65 CO 0.00 0.21 -0.30 -1.14 -1.72 0.00 0.00 179.24 176.29 2kb0 n ARG 66 N -4.88 -0.83 -3.45 3.56 0.63 -1.26 -4.84 116.66 105.60 2kb0 n ARG 66 Ca 0.18 -0.30 -0.38 0.00 -0.92 0.00 0.00 57.85 56.43 2kb0 n ARG 66 Cb 0.46 -0.20 -0.06 0.00 0.45 0.00 0.00 32.46 33.10 2kb0 n ARG 66 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kb0 s LEU 67 N -5.56 4.36 0.00 6.15 1.43 -1.26 -4.94 118.68 118.85 2kb0 s LEU 67 Ca 0.13 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2kb0 s LEU 67 Cb -0.07 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2kb0 s LEU 67 CO 0.29 0.16 0.00 -1.14 0.23 0.00 0.00 176.35 175.90 2kb0 n ARG 68 N 2.84 0.00 0.17 1.70 0.63 -1.26 -4.75 116.66 115.99 2kb0 n ARG 68 Ca -0.11 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.95 2kb0 n ARG 68 Cb 0.52 -0.55 0.56 0.00 0.45 0.00 0.00 32.46 33.44 2kb0 n ARG 68 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2kb0 h PRO 69 N 0.00 0.00 -2.70 -0.14 0.11 -2.01 -3.30 132.00 123.96 2kb0 h PRO 69 Ca 0.00 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 65.37 2kb0 h PRO 69 Cb 0.66 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.45 2kb0 h PRO 69 CO 0.00 0.00 0.34 1.28 -0.21 0.00 0.00 178.00 179.41 2kb0 n LEU 70 N -2.45 5.56 0.17 2.35 4.77 -1.26 -4.78 117.00 121.35 2kb0 n LEU 70 Ca 0.01 -5.29 0.02 0.00 -0.03 0.00 0.00 56.01 50.73 2kb0 n LEU 70 Cb 0.23 -1.08 0.27 0.00 -2.33 0.00 0.00 43.42 40.51 2kb0 n LEU 70 CO 0.21 1.81 0.61 0.77 -1.33 0.00 0.00 177.39 179.45 2kb0 h SER 71 N 5.05 0.00 -1.95 -1.43 4.64 -1.92 -3.39 113.55 114.56 2kb0 h SER 71 Ca 0.20 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.12 2kb0 h SER 71 Cb 0.63 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.41 2kb0 h SER 71 CO 1.17 0.48 -0.73 -0.47 -0.87 0.00 0.00 176.83 176.41 2kb0 s TYR 72 N -3.67 -0.11 0.49 4.77 5.04 -1.26 -5.14 117.35 117.47 2kb0 s TYR 72 Ca -0.01 -1.16 -0.21 0.00 -2.44 0.00 0.00 57.07 53.24 2kb0 s TYR 72 Cb 0.12 -0.45 -0.09 0.00 0.35 0.00 0.00 41.96 41.89 2kb0 s TYR 72 CO 0.72 -0.97 0.83 -2.30 -1.34 0.00 0.00 175.55 172.49 2kb0 n PRO 73 N 3.76 0.96 -4.12 4.97 -0.02 -1.26 -5.00 135.00 134.29 2kb0 n PRO 73 Ca 0.16 0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 2kb0 n PRO 73 Cb 0.47 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 2kb0 n PRO 73 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kb0 s GLN 74 N -2.13 2.64 -0.05 -0.52 -0.21 -1.26 -5.12 119.66 113.01 2kb0 s GLN 74 Ca 0.67 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.17 2kb0 s GLN 74 Cb -0.51 -2.56 0.04 0.00 1.00 0.00 0.00 33.01 30.98 2kb0 s GLN 74 CO 0.54 0.52 0.09 0.99 -2.12 0.00 0.00 175.29 175.31 2kb0 s THR 75 N -1.48 -0.10 -0.10 -0.19 2.01 -1.26 -4.95 115.64 109.58 2kb0 s THR 75 Ca 0.28 0.26 0.17 0.00 0.31 0.00 0.00 61.69 62.71 2kb0 s THR 75 Cb -0.11 -0.17 -0.25 0.00 0.01 0.00 0.00 72.50 71.97 2kb0 s THR 75 CO 0.20 0.11 0.23 0.47 -0.69 0.00 0.00 174.62 174.94 2kb0 n ASP 76 N 4.55 0.69 -3.84 3.53 8.00 -1.26 -4.94 116.55 123.28 2kb0 n ASP 76 Ca -0.20 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.13 2kb0 n ASP 76 Cb 0.50 1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 42.82 2kb0 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kb0 s VAL 77 N -2.84 0.21 -0.19 2.53 1.01 -1.23 -4.72 120.40 115.17 2kb0 s VAL 77 Ca -0.08 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 2kb0 s VAL 77 Cb 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2kb0 s VAL 77 CO 0.75 0.14 0.04 -0.36 0.00 0.00 0.00 175.10 175.66 2kb0 s PHE 78 N 0.80 3.15 -0.11 5.22 0.40 -1.25 -2.99 117.98 123.21 2kb0 s PHE 78 Ca -0.08 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 2kb0 s PHE 78 Cb -0.12 -2.08 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 2kb0 s PHE 78 CO -0.01 -0.01 -0.21 -1.17 0.70 0.00 0.00 175.22 174.52 2kb0 s LEU 79 N 0.64 2.28 0.07 -0.37 0.20 -0.45 -3.58 118.68 117.46 2kb0 s LEU 79 Ca 0.02 -0.49 0.06 0.00 0.69 0.00 0.00 54.13 54.40 2kb0 s LEU 79 Cb -0.13 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2kb0 s LEU 79 CO 0.02 0.16 -0.15 0.68 -0.29 0.00 0.00 176.35 176.76 2kb0 s VAL 80 N 0.35 1.22 -0.01 1.68 -7.23 -1.23 -2.66 120.40 112.52 2kb0 s VAL 80 Ca -0.16 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2kb0 s VAL 80 Cb -0.17 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2kb0 s VAL 80 CO 0.08 -0.13 0.03 0.00 -0.31 0.00 0.00 175.10 174.76 2kb0 s PHE 82 N -0.12 -0.32 0.50 0.00 -0.71 -1.24 -4.37 117.98 111.73 2kb0 s PHE 82 Ca -0.01 0.18 -0.11 0.00 -1.04 0.00 0.00 56.93 55.94 2kb0 s PHE 82 Cb -0.01 0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 42.05 2kb0 s PHE 82 CO -0.00 -0.67 0.89 -1.54 -1.34 0.00 0.00 175.22 172.56 2kb0 s SER 83 N -2.38 6.42 0.00 1.98 1.04 -1.26 -2.96 113.70 116.54 2kb0 s SER 83 Ca -0.01 1.27 0.23 0.00 0.48 0.00 0.00 55.95 57.91 2kb0 s SER 83 Cb 0.00 -2.39 0.48 0.00 0.10 0.00 0.00 66.02 64.22 2kb0 s SER 83 CO -0.07 -0.60 1.43 0.55 0.98 0.00 0.00 173.24 175.54 2kb0 n VAL 84 N -1.92 0.66 0.75 5.02 3.14 -1.25 -4.17 118.33 120.56 2kb0 n VAL 84 Ca 0.04 -0.83 0.10 0.00 -2.96 0.00 0.00 64.34 60.69 2kb0 n VAL 84 Cb 0.54 0.84 0.09 0.00 -1.06 0.00 0.00 33.84 34.25 2kb0 n VAL 84 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2kb0 n VAL 85 N 1.52 0.04 -3.81 1.55 0.24 -1.26 -3.01 118.33 113.60 2kb0 n VAL 85 Ca 0.21 -0.52 -0.35 0.00 -2.04 0.00 0.00 64.34 61.64 2kb0 n VAL 85 Cb 0.61 1.36 -0.12 0.00 -1.47 0.00 0.00 33.84 34.22 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kb0 s SER 86 N -1.56 5.09 0.18 -1.34 0.01 -1.26 -4.83 113.70 109.99 2kb0 s SER 86 Ca 0.23 -2.42 -0.14 0.00 1.31 0.00 0.00 55.95 54.93 2kb0 s SER 86 Cb 0.16 -1.79 0.18 0.00 0.21 0.00 0.00 66.02 64.77 2kb0 s SER 86 CO 0.24 -0.43 1.68 -0.65 0.41 0.00 0.00 173.24 174.48 2kb0 h PRO 87 N 7.50 0.09 -0.97 12.44 0.11 -1.91 -0.86 132.00 148.39 2kb0 h PRO 87 Ca -0.08 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.17 2kb0 h PRO 87 Cb 1.00 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.00 2kb0 h PRO 87 CO 0.68 0.06 0.59 0.77 -0.21 0.00 0.00 178.00 179.89 2kb0 h SER 88 N 0.09 0.83 0.73 -2.05 0.02 -2.00 0.80 113.55 111.97 2kb0 h SER 88 Ca 0.24 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2kb0 h SER 88 Cb 0.37 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2kb0 h SER 88 CO -0.43 0.40 0.00 0.77 -1.14 0.00 0.00 176.83 176.43 2kb0 h SER 89 N 0.88 0.00 0.05 3.07 4.64 -1.55 -1.65 113.55 119.00 2kb0 h SER 89 Ca 0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2kb0 h SER 89 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2kb0 h SER 89 CO -0.31 0.00 -0.03 0.15 -0.87 0.00 0.00 176.83 175.78 2kb0 h PHE 90 N 0.00 -0.07 -0.21 4.77 3.57 0.11 -2.97 116.94 122.15 2kb0 h PHE 90 Ca 0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2kb0 h PHE 90 Cb 0.36 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2kb0 h PHE 90 CO 0.00 0.35 -0.38 0.93 -2.23 0.00 0.00 178.31 176.99 2kb0 h GLU 91 N -0.50 0.45 -0.77 1.11 5.08 -1.26 -2.82 114.58 115.88 2kb0 h GLU 91 Ca -0.01 -0.21 0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2kb0 h GLU 91 Cb 0.45 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2kb0 h GLU 91 CO 0.01 0.76 0.51 -0.97 -1.00 0.00 0.00 179.01 178.33 2kb0 h ASN 92 N 0.38 0.40 -0.62 1.42 -1.24 -1.25 0.56 115.58 115.24 2kb0 h ASN 92 Ca 0.04 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 2kb0 h ASN 92 Cb 0.83 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.80 2kb0 h ASN 92 CO 0.07 0.21 0.28 0.58 -1.29 0.00 0.00 177.43 177.27 2kb0 h VAL 93 N 0.43 1.22 0.06 2.57 2.07 -1.33 -1.73 116.25 119.54 2kb0 h VAL 93 Ca 0.38 -0.68 -0.33 0.00 0.82 0.00 0.00 66.70 66.88 2kb0 h VAL 93 Cb 0.85 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2kb0 h VAL 93 CO -0.12 0.28 -1.84 1.17 0.02 0.00 0.00 177.57 177.07 2kb0 n LYS 94 N -4.32 0.67 -0.14 1.57 4.81 -0.00 -0.87 118.16 119.88 2kb0 n LYS 94 Ca 0.06 0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.85 2kb0 n LYS 94 Cb 0.16 -1.69 0.24 0.00 0.02 0.00 0.00 35.03 33.76 2kb0 n LYS 94 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kb0 h GLU 95 N -0.41 0.84 0.00 1.64 5.08 -0.01 -3.28 114.58 118.44 2kb0 h GLU 95 Ca -0.44 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 57.71 2kb0 h GLU 95 Cb 1.73 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2kb0 h GLU 95 CO -0.08 0.67 -1.16 1.17 -1.00 0.00 0.00 179.01 178.61 2kb0 n LYS 96 N -4.34 0.16 -0.10 2.33 4.81 -0.67 -4.75 118.16 115.59 2kb0 n LYS 96 Ca 0.05 0.07 -0.10 0.00 -0.87 0.00 0.00 58.31 57.46 2kb0 n LYS 96 Cb 0.15 -0.77 0.04 0.00 0.02 0.00 0.00 35.03 34.47 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2kb0 h TRP 97 N -0.27 0.98 0.05 5.64 4.06 -1.41 -2.43 115.95 122.57 2kb0 h TRP 97 Ca -0.15 -0.25 0.01 0.00 2.06 0.00 0.00 58.89 60.56 2kb0 h TRP 97 Cb 0.96 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 2kb0 h TRP 97 CO -0.05 1.02 -0.13 0.28 -3.56 0.00 0.00 178.44 176.01 2kb0 h VAL 98 N 0.72 0.70 -0.25 1.49 2.07 -1.06 -2.57 116.25 117.36 2kb0 h VAL 98 Ca 0.08 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.44 2kb0 h VAL 98 Cb 0.83 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2kb0 h VAL 98 CO 0.07 0.00 -0.52 1.55 0.02 0.00 0.00 177.57 178.69 2kb0 h PRO 99 N -0.24 0.70 -0.93 1.57 0.13 -1.73 -3.25 132.00 128.25 2kb0 h PRO 99 Ca 0.03 -0.43 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2kb0 h PRO 99 Cb 0.27 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.39 2kb0 h PRO 99 CO -0.09 1.05 0.61 1.49 -0.23 0.00 0.00 178.00 180.83 2kb0 h GLU 100 N 0.55 1.16 0.00 0.86 4.81 -1.31 -1.35 114.58 119.30 2kb0 h GLU 100 Ca 0.02 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2kb0 h GLU 100 Cb 1.09 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2kb0 h GLU 100 CO 0.11 0.77 -0.22 0.97 -0.73 0.00 0.00 179.01 179.91 2kb0 h ILE 101 N 1.20 1.03 -0.83 2.32 6.09 -1.49 -2.60 117.51 123.22 2kb0 h ILE 101 Ca 0.37 -0.78 -0.02 0.00 -1.37 0.00 0.00 64.86 63.06 2kb0 h ILE 101 Cb -0.03 1.44 -0.04 0.00 0.47 0.00 0.00 36.82 38.66 2kb0 h ILE 101 CO -0.11 0.21 0.45 0.74 -3.07 0.00 0.00 178.15 176.37 2kb0 h THR 102 N 0.00 1.25 -0.96 2.19 2.02 -1.31 -2.37 112.91 113.72 2kb0 h THR 102 Ca -0.00 -0.61 0.12 0.00 0.77 0.00 0.00 66.41 66.68 2kb0 h THR 102 Cb 0.42 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 66.88 2kb0 h THR 102 CO 0.03 0.28 0.59 0.45 0.37 0.00 0.00 175.52 177.23 2kb0 h HIS 103 N 1.16 1.07 -0.98 3.16 3.86 -1.41 0.26 115.15 122.26 2kb0 h HIS 103 Ca 0.29 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.60 2kb0 h HIS 103 Cb 0.04 -0.33 -0.07 0.00 1.06 0.00 0.00 27.41 28.11 2kb0 h HIS 103 CO 0.01 0.41 0.63 0.45 0.86 0.00 0.00 177.93 180.29 2kb0 h HIS 104 N 0.93 1.17 0.00 2.45 -0.00 -1.51 -3.45 115.15 114.74 2kb0 h HIS 104 Ca 0.48 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.88 2kb0 h HIS 104 Cb 0.48 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 2kb0 h HIS 104 CO -0.02 0.61 0.00 0.00 -0.00 0.00 0.00 177.93 178.52 2kb0 h PRO 106 N 0.00 0.00 -5.32 0.00 0.13 -1.89 -3.40 132.00 121.52 2kb0 h PRO 106 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2kb0 h PRO 106 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 2kb0 h PRO 106 CO 0.00 0.12 -0.82 0.15 -0.23 0.00 0.00 178.00 177.22 2kb0 s LYS 107 N -4.55 1.43 -0.26 0.86 1.02 -1.26 -5.03 119.74 111.95 2kb0 s LYS 107 Ca -0.04 -0.55 -0.28 0.00 0.02 0.00 0.00 55.97 55.12 2kb0 s LYS 107 Cb 0.15 -1.32 0.17 0.00 -0.52 0.00 0.00 37.83 36.32 2kb0 s LYS 107 CO 0.64 0.28 1.26 -0.08 -0.92 0.00 0.00 175.35 176.53 2kb0 s THR 108 N -0.16 0.00 -0.04 2.17 -1.32 -1.26 -5.13 115.64 109.90 2kb0 s THR 108 Ca 0.02 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 2kb0 s THR 108 Cb -0.08 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 2kb0 s THR 108 CO 0.00 0.00 1.53 -2.16 -2.21 0.00 0.00 174.62 171.79 2kb0 s PRO 109 N -0.78 4.22 -0.21 7.08 0.04 -1.26 -4.98 135.00 139.10 2kb0 s PRO 109 Ca 0.06 2.07 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 2kb0 s PRO 109 Cb -0.02 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 2kb0 s PRO 109 CO -0.07 -0.74 0.00 0.12 0.04 0.00 0.00 177.00 176.35 2kb0 s PHE 110 N 3.35 3.03 -0.15 0.56 5.36 -1.26 -3.79 117.98 125.08 2kb0 s PHE 110 Ca 0.68 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 2kb0 s PHE 110 Cb -0.32 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 2kb0 s PHE 110 CO 0.27 -0.28 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.41 2kb0 s LEU 111 N 1.10 2.36 -0.24 6.12 2.96 -1.24 -1.34 118.68 128.41 2kb0 s LEU 111 Ca 0.02 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2kb0 s LEU 111 Cb -0.14 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2kb0 s LEU 111 CO 0.01 0.08 0.01 -0.22 -1.32 0.00 0.00 176.35 174.91 2kb0 s LEU 112 N 0.83 3.20 -0.10 -0.68 2.96 -1.12 -3.53 118.68 120.24 2kb0 s LEU 112 Ca -0.06 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2kb0 s LEU 112 Cb -0.15 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2kb0 s LEU 112 CO -0.01 -0.05 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.21 2kb0 s VAL 113 N 1.52 3.68 -0.22 1.68 1.01 -1.17 -1.87 120.40 125.04 2kb0 s VAL 113 Ca 0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 2kb0 s VAL 113 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2kb0 s VAL 113 CO -0.00 0.56 0.10 -0.83 0.00 0.00 0.00 175.10 174.92 2kb0 s GLY 114 N -0.30 1.90 0.29 4.51 0.00 0.90 -3.60 107.32 111.02 2kb0 s GLY 114 Ca 0.04 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 43.95 2kb0 s GLY 114 CO 0.02 0.30 -0.09 -0.51 0.00 0.00 0.00 173.10 172.82 2kb0 s THR 115 N 0.92 1.85 -0.92 0.90 -4.23 -1.15 0.02 115.64 113.03 2kb0 s THR 115 Ca 0.05 -2.18 -0.02 0.00 -1.18 0.00 0.00 61.69 58.37 2kb0 s THR 115 Cb -0.14 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2kb0 s THR 115 CO 0.03 -0.32 0.26 1.67 -0.54 0.00 0.00 174.62 175.72 2kb0 n GLN 116 N -0.61 -2.35 0.00 3.99 -0.06 -1.21 -3.80 117.38 113.34 2kb0 n GLN 116 Ca -0.06 0.53 0.11 0.00 -2.00 0.00 0.00 57.00 55.59 2kb0 n GLN 116 Cb 0.63 -4.60 0.61 0.00 -4.06 0.00 0.00 30.24 22.81 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 2kb0 n ILE 117 N -3.97 0.16 0.08 1.69 -5.35 -1.25 -2.76 119.36 107.95 2kb0 n ILE 117 Ca -0.08 0.04 -0.01 0.00 -0.27 0.00 0.00 62.75 62.43 2kb0 n ILE 117 Cb 0.58 -0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 37.74 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kb0 h ASP 118 N 0.00 0.00 -0.05 7.28 3.32 -1.90 -3.27 116.42 121.80 2kb0 h ASP 118 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kb0 h ASP 118 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2kb0 h ASP 118 CO 0.00 0.65 0.01 0.25 -1.72 0.00 0.00 179.24 178.44 2kb0 h LEU 119 N 0.00 0.11 -2.31 1.55 5.85 -1.92 -0.64 115.31 117.96 2kb0 h LEU 119 Ca -0.08 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2kb0 h LEU 119 Cb 1.57 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 2kb0 h LEU 119 CO 0.07 0.12 0.14 -0.09 -0.34 0.00 0.00 178.44 178.34 2kb0 h ARG 120 N 0.12 0.00 -0.87 1.25 2.43 -1.75 0.65 114.38 116.22 2kb0 h ARG 120 Ca 0.03 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.85 2kb0 h ARG 120 Cb 0.06 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.40 2kb0 h ARG 120 CO -0.00 0.00 0.45 -3.47 -1.51 0.00 0.00 179.97 175.44 2kb0 n ASP 121 N -3.80 4.40 -4.13 -3.80 2.03 -0.25 -4.81 116.55 106.20 2kb0 n ASP 121 Ca 0.00 -3.40 -0.37 0.00 0.52 0.00 0.00 54.79 51.54 2kb0 n ASP 121 Cb 0.25 -0.79 -0.10 0.00 -0.72 0.00 0.00 41.12 39.76 2kb0 n ASP 121 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kb0 s ASP 122 N -1.13 5.35 0.26 1.67 1.11 0.22 -4.96 116.67 119.19 2kb0 s ASP 122 Ca 0.56 -2.38 -0.02 0.00 0.18 0.00 0.00 52.55 50.89 2kb0 s ASP 122 Cb 0.46 -1.87 0.54 0.00 1.07 0.00 0.00 42.92 43.12 2kb0 s ASP 122 CO 0.13 -0.49 1.71 -0.65 1.18 0.00 0.00 175.17 177.04 2kb0 h PRO 123 N 7.67 0.39 -0.77 8.23 0.11 -1.87 0.12 132.00 145.87 2kb0 h PRO 123 Ca -0.09 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.06 2kb0 h PRO 123 Cb 1.01 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 2kb0 h PRO 123 CO 0.73 0.25 0.51 1.03 -0.21 0.00 0.00 178.00 180.31 2kb0 h SER 124 N 0.40 0.75 -0.03 -2.05 0.87 -1.96 0.51 113.55 112.04 2kb0 h SER 124 Ca 0.46 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 2kb0 h SER 124 Cb 0.77 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2kb0 h SER 124 CO -0.47 0.50 -0.19 0.74 -0.53 0.00 0.00 176.83 176.88 2kb0 h THR 125 N 0.86 1.49 -0.78 2.23 2.02 -1.21 -2.86 112.91 114.66 2kb0 h THR 125 Ca 0.32 -1.72 0.15 0.00 0.77 0.00 0.00 66.41 65.93 2kb0 h THR 125 Cb 0.18 2.52 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 2kb0 h THR 125 CO -0.11 0.47 0.52 0.40 0.37 0.00 0.00 175.52 177.17 2kb0 h ILE 126 N -0.41 0.81 -0.29 3.11 2.04 -0.12 0.13 117.51 122.77 2kb0 h ILE 126 Ca -0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2kb0 h ILE 126 Cb 0.87 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2kb0 h ILE 126 CO 0.04 0.09 0.14 -0.08 0.00 0.00 0.00 178.15 178.33 2kb0 h GLU 127 N 0.47 0.42 -0.71 2.37 4.57 0.11 0.66 114.58 122.48 2kb0 h GLU 127 Ca 0.38 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.52 2kb0 h GLU 127 Cb 0.81 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2kb0 h GLU 127 CO -0.13 0.41 0.47 0.87 -1.18 0.00 0.00 179.01 179.44 2kb0 h LYS 128 N 0.34 0.89 -0.12 1.92 1.57 -0.58 -1.15 116.57 119.43 2kb0 h LYS 128 Ca 0.10 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 2kb0 h LYS 128 Cb 0.13 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2kb0 h LYS 128 CO -0.01 0.59 -0.75 -0.07 -0.57 0.00 0.00 179.45 178.63 2kb0 h LEU 129 N 0.91 0.72 -0.75 2.94 3.38 -0.46 -3.18 115.31 118.87 2kb0 h LEU 129 Ca 0.27 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.85 2kb0 h LEU 129 Cb -0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2kb0 h LEU 129 CO -0.07 1.24 0.41 0.00 0.09 0.00 0.00 178.44 180.11 2kb0 h ALA 130 N 0.74 1.04 -0.78 1.53 0.00 0.15 0.32 119.26 122.27 2kb0 h ALA 130 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kb0 h ALA 130 Cb 1.36 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2kb0 h ALA 130 CO 0.14 0.04 0.51 0.87 0.00 0.00 0.00 179.25 180.82 2kb0 h LYS 131 N 0.70 0.96 -0.21 0.00 1.57 -1.38 0.81 116.57 119.03 2kb0 h LYS 131 Ca 0.36 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2kb0 h LYS 131 Cb 0.32 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kb0 h LYS 131 CO -0.24 0.63 0.00 0.09 -0.57 0.00 0.00 179.45 179.37 2kb0 n ASN 132 N -4.44 1.90 -3.27 0.86 5.03 -0.11 -4.91 115.26 110.33 2kb0 n ASN 132 Ca 0.10 -1.77 -0.23 0.00 0.87 0.00 0.00 54.58 53.55 2kb0 n ASN 132 Cb 0.09 -0.14 0.01 0.00 -1.02 0.00 0.00 39.78 38.72 2kb0 n ASN 132 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2kb0 n LYS 133 N 0.48 -3.84 -0.10 3.52 5.02 0.95 -4.86 118.16 119.34 2kb0 n LYS 133 Ca 0.16 0.60 -0.17 0.00 -2.02 0.00 0.00 58.31 56.87 2kb0 n LYS 133 Cb 0.36 -5.35 -0.08 0.00 -0.02 0.00 0.00 35.03 29.95 2kb0 n LYS 133 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kb0 n GLN 134 N -3.82 0.53 -1.52 1.97 6.02 -0.57 -5.00 117.38 115.00 2kb0 n GLN 134 Ca -0.04 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2kb0 n GLN 134 Cb 0.56 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2kb0 n GLN 134 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kb0 n LYS 135 N -4.45 -4.20 -2.02 -1.09 5.02 -1.25 -4.85 118.16 105.31 2kb0 n LYS 135 Ca -0.27 3.18 -0.37 0.00 -2.02 0.00 0.00 58.31 58.82 2kb0 n LYS 135 Cb 0.59 -3.74 0.02 0.00 -0.02 0.00 0.00 35.03 31.87 2kb0 n LYS 135 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kb0 s PRO 136 N -4.48 3.34 0.45 1.97 0.04 -1.26 -4.91 135.00 130.15 2kb0 s PRO 136 Ca 0.00 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 2kb0 s PRO 136 Cb 0.00 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 2kb0 s PRO 136 CO 0.00 -0.95 0.98 0.42 0.04 0.00 0.00 177.00 177.50 2kb0 s ILE 137 N -1.47 4.17 0.42 0.56 -1.09 -1.16 -5.04 121.20 117.59 2kb0 s ILE 137 Ca 0.70 1.37 -0.12 0.00 -2.23 0.00 0.00 60.65 60.37 2kb0 s ILE 137 Cb -0.33 -3.56 -0.07 0.00 -1.58 0.00 0.00 42.46 36.92 2kb0 s ILE 137 CO 0.39 -0.28 0.81 0.42 -1.23 0.00 0.00 174.94 175.05 2kb0 s THR 138 N -2.09 4.73 0.41 2.92 -4.23 -1.26 -4.94 115.64 111.18 2kb0 s THR 138 Ca 0.63 0.76 0.08 0.00 -1.18 0.00 0.00 61.69 61.98 2kb0 s THR 138 Cb -0.12 -3.72 0.25 0.00 1.34 0.00 0.00 72.50 70.25 2kb0 s THR 138 CO 0.16 -0.52 2.04 1.55 -0.54 0.00 0.00 174.62 177.31 2kb0 h PRO 139 N 1.28 0.46 -0.53 3.99 0.13 -1.98 -2.16 132.00 133.19 2kb0 h PRO 139 Ca -0.47 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2kb0 h PRO 139 Cb 1.19 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2kb0 h PRO 139 CO 0.63 0.34 0.23 1.49 -0.23 0.00 0.00 178.00 180.46 2kb0 h GLU 140 N 0.47 0.75 -0.34 0.86 4.81 -1.98 0.20 114.58 119.35 2kb0 h GLU 140 Ca 0.12 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 2kb0 h GLU 140 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2kb0 h GLU 140 CO -0.02 0.61 -0.28 1.15 -0.73 0.00 0.00 179.01 179.74 2kb0 h THR 141 N 0.75 1.28 -0.01 0.32 2.02 -1.78 -1.69 112.91 113.79 2kb0 h THR 141 Ca 0.18 -1.39 -0.15 0.00 0.77 0.00 0.00 66.41 65.82 2kb0 h THR 141 Cb 0.12 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2kb0 h THR 141 CO -0.02 0.46 -0.57 0.00 0.37 0.00 0.00 175.52 175.75 2kb0 h ALA 142 N 1.09 0.09 -0.18 6.16 0.00 -1.27 -3.17 119.26 121.98 2kb0 h ALA 142 Ca 0.08 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2kb0 h ALA 142 Cb 0.78 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kb0 h ALA 142 CO 0.06 0.34 -0.08 0.93 0.00 0.00 0.00 179.25 180.51 2kb0 h GLU 143 N -0.09 0.28 -0.52 0.00 5.08 -0.60 -2.53 114.58 116.20 2kb0 h GLU 143 Ca -0.07 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2kb0 h GLU 143 Cb 1.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2kb0 h GLU 143 CO 0.11 0.37 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.24 2kb0 h LYS 144 N 0.27 0.90 -0.95 2.33 3.64 -1.33 -1.44 116.57 119.98 2kb0 h LYS 144 Ca 0.06 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2kb0 h LYS 144 Cb 0.31 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2kb0 h LYS 144 CO 0.02 0.91 0.62 1.25 -2.27 0.00 0.00 179.45 179.98 2kb0 h LEU 145 N 0.82 1.04 0.00 5.20 5.85 -1.42 -2.19 115.31 124.62 2kb0 h LEU 145 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2kb0 h LEU 145 Cb 0.53 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2kb0 h LEU 145 CO 0.03 0.72 -0.03 0.00 -0.34 0.00 0.00 178.44 178.82 2kb0 h ALA 146 N 1.44 -0.00 0.00 1.25 0.00 -1.50 -2.90 119.26 117.55 2kb0 h ALA 146 Ca 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kb0 h ALA 146 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kb0 h ALA 146 CO -0.11 -0.01 0.00 -2.13 0.00 0.00 0.00 179.25 177.00 2kb0 n ARG 147 N -4.62 0.01 -0.01 0.00 0.63 -0.56 -1.04 116.66 111.07 2kb0 n ARG 147 Ca -0.10 0.13 0.03 0.00 -0.92 0.00 0.00 57.85 56.99 2kb0 n ARG 147 Cb 0.47 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.80 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kb0 n ASP 148 N -1.13 2.82 -1.82 6.15 8.00 -0.83 -4.54 116.55 125.20 2kb0 n ASP 148 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2kb0 n ASP 148 Cb 0.00 1.32 0.24 0.00 -0.02 0.00 0.00 41.12 42.67 2kb0 n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb0 n LEU 149 N -1.91 5.75 -2.53 0.64 4.77 -0.21 -4.90 117.00 118.62 2kb0 n LEU 149 Ca -0.04 -3.44 -0.21 0.00 -0.03 0.00 0.00 56.01 52.29 2kb0 n LEU 149 Cb 0.33 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2kb0 n LEU 149 CO 0.20 0.96 -0.21 0.29 -1.33 0.00 0.00 177.39 177.30 2kb0 n LYS 150 N -0.69 -2.34 -2.07 3.23 5.02 -1.15 -4.93 118.16 115.24 2kb0 n LYS 150 Ca 0.44 0.99 -0.38 0.00 -2.02 0.00 0.00 58.31 57.34 2kb0 n LYS 150 Cb 1.37 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 s ALA 151 N -3.07 3.06 0.04 7.82 0.00 -0.75 -4.81 121.76 124.05 2kb0 s ALA 151 Ca 0.06 1.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.85 2kb0 s ALA 151 Cb -0.03 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.45 2kb0 s ALA 151 CO 0.08 -0.88 1.35 0.28 0.00 0.00 0.00 175.76 176.59 2kb0 h VAL 152 N 2.04 0.04 -2.27 0.00 2.07 -1.55 -3.45 116.25 113.13 2kb0 h VAL 152 Ca -0.50 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 66.93 2kb0 h VAL 152 Cb 1.26 0.05 -0.16 0.00 -1.52 0.00 0.00 31.29 30.92 2kb0 h VAL 152 CO 0.61 0.00 0.42 -0.75 0.02 0.00 0.00 177.57 177.86 2kb0 s LYS 153 N -5.35 0.90 0.03 1.57 2.47 -1.25 -5.08 119.74 113.03 2kb0 s LYS 153 Ca -0.17 -0.20 0.08 0.00 -1.56 0.00 0.00 55.97 54.12 2kb0 s LYS 153 Cb 0.02 0.42 -0.03 0.00 -1.46 0.00 0.00 37.83 36.77 2kb0 s LYS 153 CO 0.52 -0.37 -0.21 1.52 0.16 0.00 0.00 175.35 176.97 2kb0 s TYR 154 N -2.70 2.48 -0.02 4.03 1.13 -1.26 -2.79 117.35 118.23 2kb0 s TYR 154 Ca 0.01 -0.31 0.03 0.00 -1.41 0.00 0.00 57.07 55.40 2kb0 s TYR 154 Cb -0.01 -1.45 -0.01 0.00 -1.10 0.00 0.00 41.96 39.39 2kb0 s TYR 154 CO -0.06 0.20 -0.11 0.08 -2.51 0.00 0.00 175.55 173.14 2kb0 s VAL 155 N -0.86 0.91 -0.20 -3.49 1.01 -0.78 -5.01 120.40 111.98 2kb0 s VAL 155 Ca 0.13 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2kb0 s VAL 155 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2kb0 s VAL 155 CO 0.04 0.26 0.10 -1.61 0.00 0.00 0.00 175.10 173.89 2kb0 s GLU 156 N -0.12 4.05 0.02 2.72 2.02 -1.26 -0.07 118.70 126.06 2kb0 s GLU 156 Ca 0.02 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2kb0 s GLU 156 Cb -0.06 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 2kb0 s GLU 156 CO -0.00 0.24 -0.04 0.00 0.02 0.00 0.00 175.26 175.48 2kb0 s SER 158 N -1.01 4.77 0.20 0.00 0.15 -1.17 -3.30 113.70 113.34 2kb0 s SER 158 Ca -0.08 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.36 2kb0 s SER 158 Cb -0.07 -1.68 0.10 0.00 -1.71 0.00 0.00 66.02 62.67 2kb0 s SER 158 CO -0.00 -0.24 1.46 0.00 1.20 0.00 0.00 173.24 175.66 2kb0 h ALA 159 N 7.96 0.67 -0.71 5.45 0.00 -1.92 0.51 119.26 131.23 2kb0 h ALA 159 Ca -0.22 -0.68 0.17 0.00 0.00 0.00 0.00 54.91 54.18 2kb0 h ALA 159 Cb 1.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2kb0 h ALA 159 CO 0.52 0.90 0.49 1.25 0.00 0.00 0.00 179.25 182.41 2kb0 h LEU 160 N 0.07 0.19 -9.24 0.00 5.85 -1.99 -3.41 115.31 106.78 2kb0 h LEU 160 Ca -0.02 0.01 -0.51 0.00 0.84 0.00 0.00 57.88 58.20 2kb0 h LEU 160 Cb 1.37 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.24 2kb0 h LEU 160 CO 0.11 0.09 -0.65 0.42 -0.34 0.00 0.00 178.44 178.07 2kb0 s THR 161 N -5.20 1.64 -1.77 1.05 -4.23 -1.13 -4.98 115.64 101.01 2kb0 s THR 161 Ca -0.06 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 2kb0 s THR 161 Cb 0.21 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2kb0 s THR 161 CO 0.76 -0.20 0.45 0.00 -0.54 0.00 0.00 174.62 175.09 2kb0 n GLN 162 N -0.66 0.51 -0.17 3.99 1.13 -1.26 -2.82 117.38 118.09 2kb0 n GLN 162 Ca -0.05 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.07 2kb0 n GLN 162 Cb 0.64 -1.06 0.18 0.00 0.11 0.00 0.00 30.24 30.11 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kb0 n LYS 163 N -0.33 1.80 -0.10 -1.09 5.02 -1.23 -3.88 118.16 118.36 2kb0 n LYS 163 Ca 0.00 -1.24 -0.21 0.00 -2.02 0.00 0.00 58.31 54.84 2kb0 n LYS 163 Cb 0.03 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.07 -0.33 0.31 0.72 0.00 0.16 -3.02 105.19 104.08 2kb0 n GLY 164 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2kb0 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kb0 h LEU 165 N -0.73 0.75 -2.02 0.99 3.38 -1.79 -1.07 115.31 114.82 2kb0 h LEU 165 Ca -0.49 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.41 2kb0 h LEU 165 Cb 1.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2kb0 h LEU 165 CO -0.29 0.70 0.10 0.11 0.09 0.00 0.00 178.44 179.15 2kb0 h LYS 166 N 0.79 0.00 0.06 1.13 1.57 -1.81 -1.85 116.57 116.46 2kb0 h LYS 166 Ca 0.18 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.59 2kb0 h LYS 166 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2kb0 h LYS 166 CO -0.01 0.00 -2.16 0.09 -0.57 0.00 0.00 179.45 176.80 2kb0 n ASN 167 N -4.46 2.03 -0.27 0.86 3.02 -0.90 -3.44 115.26 112.10 2kb0 n ASN 167 Ca 0.00 0.11 -0.01 0.00 -0.03 0.00 0.00 54.58 54.66 2kb0 n ASN 167 Cb 0.22 -0.70 0.18 0.00 -0.61 0.00 0.00 39.78 38.87 2kb0 n ASN 167 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2kb0 h VAL 168 N -0.16 1.22 0.00 2.41 2.07 -1.07 -2.61 116.25 118.11 2kb0 h VAL 168 Ca -0.50 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2kb0 h VAL 168 Cb 1.87 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2kb0 h VAL 168 CO -0.06 0.23 -0.67 0.49 0.02 0.00 0.00 177.57 177.58 2kb0 n PHE 169 N -4.38 0.35 0.05 1.57 3.01 -0.71 -3.44 117.46 113.90 2kb0 n PHE 169 Ca 0.09 0.10 -0.12 0.00 1.01 0.00 0.00 57.45 58.53 2kb0 n PHE 169 Cb 0.05 -0.51 -0.08 0.00 -0.01 0.00 0.00 39.48 38.94 2kb0 n PHE 169 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2kb0 h ASP 170 N 0.00 -0.04 1.73 4.37 3.58 -1.49 -2.75 116.42 121.83 2kb0 h ASP 170 Ca 0.00 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 2kb0 h ASP 170 Cb 0.68 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2kb0 h ASP 170 CO 0.00 0.05 -0.27 -0.08 -2.88 0.00 0.00 179.24 176.06 2kb0 h GLU 171 N -0.12 0.00 -0.37 0.28 4.81 -1.72 -3.28 114.58 114.18 2kb0 h GLU 171 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kb0 h GLU 171 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2kb0 h GLU 171 CO 0.01 0.19 0.06 0.00 -0.73 0.00 0.00 179.01 178.54 2kb0 h ALA 172 N 1.80 1.42 -0.17 2.92 0.00 -1.52 -2.30 119.26 121.41 2kb0 h ALA 172 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2kb0 h ALA 172 Cb 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kb0 h ALA 172 CO 0.02 0.42 -0.37 0.82 0.00 0.00 0.00 179.25 180.14 2kb0 h ILE 173 N 0.54 1.34 -0.61 0.00 2.04 -1.55 -2.35 117.51 116.92 2kb0 h ILE 173 Ca 0.12 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.39 2kb0 h ILE 173 Cb 0.25 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2kb0 h ILE 173 CO 0.00 0.50 0.37 -0.07 0.00 0.00 0.00 178.15 178.95 2kb0 h LEU 174 N 0.21 0.59 -1.00 1.44 3.38 -1.61 -1.59 115.31 116.72 2kb0 h LEU 174 Ca 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2kb0 h LEU 174 Cb 0.98 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2kb0 h LEU 174 CO 0.08 0.41 -0.11 0.00 0.09 0.00 0.00 178.44 178.91 2kb0 h ALA 175 N 1.28 1.17 -0.67 1.53 0.00 -1.42 -2.83 119.26 118.32 2kb0 h ALA 175 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kb0 h ALA 175 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2kb0 h ALA 175 CO -0.12 0.53 0.42 0.00 0.00 0.00 0.00 179.25 180.08 2kb0 h ALA 176 N 1.34 0.85 -0.88 0.00 0.00 -0.74 -2.19 119.26 117.64 2kb0 h ALA 176 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kb0 h ALA 176 Cb 0.51 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2kb0 h ALA 176 CO 0.03 0.30 0.48 1.25 0.00 0.00 0.00 179.25 181.31 2kb0 h LEU 177 N 0.90 1.09 -0.61 0.00 5.85 -1.19 -3.51 115.31 117.85 2kb0 h LEU 177 Ca 0.24 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2kb0 h LEU 177 Cb -0.06 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.70 2kb0 h LEU 177 CO -0.05 0.88 0.00 -0.62 -0.34 0.00 0.00 178.44 178.31