#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 1.43 0.09 0.03 -0.21 -1.26 -5.15 119.66 114.59 2kb0 s GLN 2 Ca 0.00 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 53.98 2kb0 s GLN 2 Cb 0.00 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 2kb0 s GLN 2 CO 0.00 0.41 -0.07 -0.08 -2.12 0.00 0.00 175.29 173.43 2kb0 s THR 3 N -1.38 0.68 -0.18 -0.19 -1.32 -1.26 -4.18 115.64 107.81 2kb0 s THR 3 Ca 0.17 -1.73 0.01 0.00 -1.21 0.00 0.00 61.69 58.92 2kb0 s THR 3 Cb -0.09 -1.43 0.01 0.00 -1.51 0.00 0.00 72.50 69.49 2kb0 s THR 3 CO 0.08 -0.74 -0.18 -0.63 -2.21 0.00 0.00 174.62 170.93 2kb0 s ILE 4 N -3.05 2.26 -0.05 5.08 1.01 -1.15 -5.03 121.20 120.27 2kb0 s ILE 4 Ca 0.07 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 2kb0 s ILE 4 Cb 0.01 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2kb0 s ILE 4 CO -0.03 0.53 0.92 -0.75 0.00 0.00 0.00 174.94 175.60 2kb0 s LYS 5 N 1.24 4.48 -0.14 2.79 2.47 -1.26 -3.77 119.74 125.55 2kb0 s LYS 5 Ca 0.03 1.28 -0.01 0.00 -1.56 0.00 0.00 55.97 55.71 2kb0 s LYS 5 Cb -0.14 -3.49 0.04 0.00 -1.46 0.00 0.00 37.83 32.79 2kb0 s LYS 5 CO -0.10 -0.12 -0.01 0.00 0.16 0.00 0.00 175.35 175.28 2kb0 s VAL 7 N 1.82 3.79 0.02 0.00 1.01 -0.58 -0.85 120.40 125.62 2kb0 s VAL 7 Ca 0.02 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2kb0 s VAL 7 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2kb0 s VAL 7 CO -0.07 0.52 -0.16 0.54 0.00 0.00 0.00 175.10 175.93 2kb0 s VAL 8 N 0.09 1.28 -0.05 2.92 0.11 -1.02 -0.66 120.40 123.06 2kb0 s VAL 8 Ca -0.01 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.04 2kb0 s VAL 8 Cb -0.14 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2kb0 s VAL 8 CO 0.03 0.20 0.27 0.54 -3.33 0.00 0.00 175.10 172.81 2kb0 s VAL 9 N -0.62 0.04 0.28 2.04 0.11 -0.34 -4.60 120.40 117.31 2kb0 s VAL 9 Ca 0.05 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2kb0 s VAL 9 Cb -0.07 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 2kb0 s VAL 9 CO 0.01 -0.16 0.12 -0.83 -3.33 0.00 0.00 175.10 170.90 2kb0 s GLY 10 N -0.67 1.90 0.15 6.54 0.00 -1.26 -3.70 107.32 110.28 2kb0 s GLY 10 Ca -0.08 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 42.54 2kb0 s GLY 10 CO 0.02 -1.61 1.16 -0.35 0.00 0.00 0.00 173.10 172.33 2kb0 s ASP 11 N -3.35 7.14 0.00 1.64 2.15 -1.26 -4.90 116.67 118.09 2kb0 s ASP 11 Ca 0.36 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.47 2kb0 s ASP 11 Cb 0.07 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kb0 s ASP 11 CO 0.15 -0.35 0.28 0.61 -0.17 0.00 0.00 175.17 175.69 2kb0 n GLY 12 N 2.40 -1.34 0.42 2.66 0.00 -1.26 0.24 105.19 108.31 2kb0 n GLY 12 Ca 0.05 0.27 0.35 0.00 0.00 0.00 0.00 46.02 46.70 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 h ALA 13 N -0.61 2.55 -2.35 4.61 0.00 -2.03 -3.37 119.26 118.05 2kb0 h ALA 13 Ca 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 54.91 54.53 2kb0 h ALA 13 Cb 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kb0 h ALA 13 CO 0.00 -1.23 0.91 0.08 0.00 0.00 0.00 179.25 179.01 2kb0 s VAL 14 N -5.38 3.60 -0.61 0.00 1.01 0.66 -4.84 120.40 114.85 2kb0 s VAL 14 Ca -0.08 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 62.58 2kb0 s VAL 14 Cb 0.31 -3.61 -0.25 0.00 0.00 0.00 0.00 36.38 32.83 2kb0 s VAL 14 CO 0.81 -0.02 1.84 0.61 0.00 0.00 0.00 175.10 178.34 2kb0 n GLY 15 N 3.78 0.86 0.29 4.51 0.00 -1.26 -4.56 105.19 108.82 2kb0 n GLY 15 Ca 0.14 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.45 2kb0 n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kb0 h LYS 16 N 9.83 0.46 -0.28 1.61 2.10 -1.83 -2.28 116.57 126.17 2kb0 h LYS 16 Ca 0.24 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.70 2kb0 h LYS 16 Cb 0.80 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2kb0 h LYS 16 CO 1.67 0.37 -0.36 1.79 -2.00 0.00 0.00 179.45 180.92 2kb0 h THR 17 N 0.47 1.30 0.00 0.07 1.35 -1.97 -2.90 112.91 111.24 2kb0 h THR 17 Ca 0.12 -1.55 -0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2kb0 h THR 17 Cb 0.07 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kb0 h THR 17 CO -0.02 0.50 -0.01 0.00 -0.25 0.00 0.00 175.52 175.74 2kb0 h LEU 19 N 0.00 1.04 -0.54 0.00 5.85 -1.26 0.87 115.31 121.27 2kb0 h LEU 19 Ca -0.00 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 2kb0 h LEU 19 Cb 0.03 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2kb0 h LEU 19 CO 0.00 1.12 0.11 -0.07 -0.34 0.00 0.00 178.44 179.25 2kb0 h LEU 20 N 0.94 0.84 -0.04 2.25 3.38 -1.33 -0.56 115.31 120.80 2kb0 h LEU 20 Ca 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2kb0 h LEU 20 Cb 0.62 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kb0 h LEU 20 CO 0.04 0.88 -0.04 0.40 0.09 0.00 0.00 178.44 179.81 2kb0 h ILE 21 N 0.78 1.39 -0.76 1.22 1.08 -1.36 0.23 117.51 120.08 2kb0 h ILE 21 Ca 0.17 -1.23 0.07 0.00 -0.39 0.00 0.00 64.86 63.48 2kb0 h ILE 21 Cb 0.38 2.14 -0.05 0.00 -3.07 0.00 0.00 36.82 36.22 2kb0 h ILE 21 CO 0.01 0.33 0.50 0.28 -0.69 0.00 0.00 178.15 178.58 2kb0 h SER 22 N -0.38 0.70 0.06 1.72 0.02 -0.77 0.37 113.55 115.27 2kb0 h SER 22 Ca 0.00 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2kb0 h SER 22 Cb 0.56 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 62.97 2kb0 h SER 22 CO 0.01 0.44 -0.69 0.22 -1.14 0.00 0.00 176.83 175.68 2kb0 h TYR 23 N 0.79 0.57 -0.15 3.45 3.20 -1.00 0.41 116.97 124.23 2kb0 h TYR 23 Ca 0.33 -0.36 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2kb0 h TYR 23 Cb 0.29 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2kb0 h TYR 23 CO -0.00 1.22 0.01 1.15 -1.64 0.00 0.00 178.16 178.90 2kb0 h THR 24 N -0.24 1.24 0.00 1.81 2.02 -0.05 -3.05 112.91 114.64 2kb0 h THR 24 Ca -0.10 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2kb0 h THR 24 Cb 1.45 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2kb0 h THR 24 CO 0.13 0.23 -0.44 0.71 0.37 0.00 0.00 175.52 176.53 2kb0 h THR 25 N 0.02 0.00 -4.94 3.16 1.35 -0.39 -3.47 112.91 108.63 2kb0 h THR 25 Ca 0.05 -0.95 -0.41 0.00 -0.55 0.00 0.00 66.41 64.55 2kb0 h THR 25 Cb 0.34 1.73 0.08 0.00 -1.73 0.00 0.00 68.15 68.58 2kb0 h THR 25 CO 0.01 0.00 -0.63 -3.20 -0.25 0.00 0.00 175.52 171.44 2kb0 n ASN 26 N -2.84 -6.22 -3.38 5.36 5.15 0.14 -4.94 115.26 108.53 2kb0 n ASN 26 Ca 0.02 -0.37 -0.26 0.00 -0.60 0.00 0.00 54.58 53.37 2kb0 n ASN 26 Cb 0.53 -4.98 -0.10 0.00 -0.53 0.00 0.00 39.78 34.70 2kb0 n ASN 26 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2kb0 s LYS 27 N -5.91 0.82 0.22 1.20 2.47 -1.14 -4.98 119.74 112.42 2kb0 s LYS 27 Ca 0.40 -1.85 -0.08 0.00 -1.56 0.00 0.00 55.97 52.88 2kb0 s LYS 27 Cb -0.18 -1.30 0.29 0.00 -1.46 0.00 0.00 37.83 35.19 2kb0 s LYS 27 CO 0.50 -1.34 1.78 0.74 0.16 0.00 0.00 175.35 177.19 2kb0 h PHE 28 N 5.95 0.62 0.00 4.03 0.04 -1.87 0.91 116.94 126.62 2kb0 h PHE 28 Ca 0.21 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2kb0 h PHE 28 Cb 0.94 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.91 2kb0 h PHE 28 CO 0.29 0.24 0.14 -1.35 -0.60 0.00 0.00 178.31 177.04 2kb0 h PRO 29 N 0.60 0.00 -0.43 1.51 0.11 -1.93 -1.38 132.00 130.48 2kb0 h PRO 29 Ca 0.33 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.44 2kb0 h PRO 29 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2kb0 h PRO 29 CO -0.24 0.00 0.29 0.66 -0.21 0.00 0.00 178.00 178.49 2kb0 h SER 30 N 0.00 0.48 -3.50 -2.05 4.64 -1.23 -3.44 113.55 108.45 2kb0 h SER 30 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2kb0 h SER 30 Cb 0.28 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2kb0 h SER 30 CO 0.00 0.35 0.00 -0.62 -0.87 0.00 0.00 176.83 175.69 2kb0 n GLU 31 N -4.47 -2.07 0.00 4.77 1.02 -0.52 -4.78 120.64 114.59 2kb0 n GLU 31 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2kb0 n GLU 31 Cb 0.07 -3.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.68 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 -1.72 0.00 -4.03 -0.32 4.01 -1.26 -4.88 117.16 108.97 2kb0 n TYR 32 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 2kb0 n TYR 32 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.85 0.32 -0.72 3.14 -1.26 -4.78 118.33 113.17 2kb0 n VAL 33 Ca 0.00 -0.47 0.16 0.00 -2.96 0.00 0.00 64.34 61.07 2kb0 n VAL 33 Cb 0.00 -1.60 0.61 0.00 -1.06 0.00 0.00 33.84 31.79 2kb0 n VAL 33 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2kb0 h PRO 34 N -1.60 0.00 0.00 1.45 0.13 -2.00 -3.47 132.00 126.51 2kb0 h PRO 34 Ca -0.58 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.58 2kb0 h PRO 34 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kb0 h PRO 34 CO 0.46 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.37 2kb0 n ALA 35 N -2.00 -0.67 -2.69 -0.56 0.00 -1.26 -5.17 120.51 108.16 2kb0 n ALA 35 Ca 0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 2kb0 n ALA 35 Cb 0.30 0.18 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kb0 s VAL 36 N -2.51 0.70 0.00 0.00 0.11 -1.26 -5.10 120.40 112.34 2kb0 s VAL 36 Ca 0.06 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2kb0 s VAL 36 Cb -0.01 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2kb0 s VAL 36 CO 0.02 0.16 0.00 0.49 -3.33 0.00 0.00 175.10 172.44 2kb0 n PHE 37 N 2.77 0.00 -4.11 1.54 3.72 -1.26 -5.14 117.46 114.97 2kb0 n PHE 37 Ca -0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.19 2kb0 n PHE 37 Cb 0.57 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 2kb0 n PHE 37 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kb0 n ASP 38 N 0.00 0.01 -4.76 4.37 5.68 -1.26 -5.13 116.55 115.45 2kb0 n ASP 38 Ca 0.00 -1.77 -0.36 0.00 -0.50 0.00 0.00 54.79 52.17 2kb0 n ASP 38 Cb 0.00 0.54 0.02 0.00 -1.14 0.00 0.00 41.12 40.54 2kb0 n ASP 38 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2kb0 s ASN 39 N -1.83 5.54 0.07 -1.12 0.02 -1.26 -5.04 114.94 111.33 2kb0 s ASN 39 Ca 0.13 2.32 0.09 0.00 -1.02 0.00 0.00 52.86 54.38 2kb0 s ASN 39 Cb 0.01 -2.60 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 2kb0 s ASN 39 CO 0.09 -1.35 -0.22 -0.31 0.02 0.00 0.00 177.10 175.33 2kb0 s TYR 40 N -1.63 2.43 -0.10 2.20 2.02 -1.26 -5.07 117.35 115.93 2kb0 s TYR 40 Ca 0.73 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 57.08 2kb0 s TYR 40 Cb -0.28 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2kb0 s TYR 40 CO 0.32 0.25 -0.01 0.00 -1.57 0.00 0.00 175.55 174.54 2kb0 s ALA 41 N -0.95 3.20 -0.02 3.71 0.00 -1.26 -3.85 121.76 122.59 2kb0 s ALA 41 Ca 0.14 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2kb0 s ALA 41 Cb -0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2kb0 s ALA 41 CO 0.05 0.48 -0.12 0.08 0.00 0.00 0.00 175.76 176.25 2kb0 s VAL 42 N -0.54 0.98 -0.08 0.00 1.01 -0.40 -5.02 120.40 116.36 2kb0 s VAL 42 Ca 0.09 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2kb0 s VAL 42 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2kb0 s VAL 42 CO 0.02 0.28 0.41 -0.89 0.00 0.00 0.00 175.10 174.93 2kb0 s THR 43 N -0.17 5.15 -0.06 3.92 2.01 -1.26 -1.88 115.64 123.34 2kb0 s THR 43 Ca 0.03 0.83 0.06 0.00 0.31 0.00 0.00 61.69 62.91 2kb0 s THR 43 Cb -0.06 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2kb0 s THR 43 CO -0.00 0.44 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.43 2kb0 s VAL 44 N -0.08 2.02 -0.13 3.82 1.01 -1.08 -4.98 120.40 120.98 2kb0 s VAL 44 Ca 0.23 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 2kb0 s VAL 44 Cb -0.15 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2kb0 s VAL 44 CO 0.10 0.56 0.40 -0.04 0.00 0.00 0.00 175.10 176.12 2kb0 s MET 45 N -0.13 4.28 -0.06 2.72 -1.94 -1.26 -1.62 119.30 121.29 2kb0 s MET 45 Ca -0.04 0.31 0.01 0.00 -1.71 0.00 0.00 55.69 54.26 2kb0 s MET 45 Cb -0.14 -3.42 0.02 0.00 2.01 0.00 0.00 34.83 33.30 2kb0 s MET 45 CO 0.04 0.22 -0.06 0.42 -0.01 0.00 0.00 175.02 175.63 2kb0 s ILE 46 N 0.47 0.69 -0.31 2.53 1.01 -1.23 -4.76 121.20 119.60 2kb0 s ILE 46 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2kb0 s ILE 46 Cb -0.14 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2kb0 s ILE 46 CO 0.08 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2kb0 n GLY 47 N 4.30 0.28 0.88 6.18 0.00 -1.26 0.33 105.19 115.91 2kb0 n GLY 47 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2kb0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb0 n GLY 48 N -0.02 0.76 2.94 -0.02 0.00 -1.26 -5.02 105.19 102.57 2kb0 n GLY 48 Ca -0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.68 2.22 0.03 1.61 2.02 1.02 -5.08 118.70 119.83 2kb0 s GLU 49 Ca 0.00 -2.93 -0.35 0.00 0.02 0.00 0.00 54.97 51.71 2kb0 s GLU 49 Cb 0.00 -3.39 -0.14 0.00 0.10 0.00 0.00 34.13 30.71 2kb0 s GLU 49 CO 0.00 -1.19 1.67 -2.30 0.02 0.00 0.00 175.26 173.46 2kb0 n PRO 50 N 2.64 1.95 -4.93 0.39 -0.02 -1.26 -3.53 135.00 130.23 2kb0 n PRO 50 Ca 0.11 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 2kb0 n PRO 50 Cb 0.33 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 2kb0 n PRO 50 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2kb0 s TYR 51 N 2.20 2.14 0.07 6.00 2.02 -0.64 -4.97 117.35 124.18 2kb0 s TYR 51 Ca 0.86 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.86 2kb0 s TYR 51 Cb -0.75 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2kb0 s TYR 51 CO 0.46 0.07 1.12 0.99 -1.57 0.00 0.00 175.55 176.62 2kb0 s THR 52 N -0.73 4.22 -0.07 -0.71 2.01 -1.26 -2.65 115.64 116.45 2kb0 s THR 52 Ca 0.10 1.65 0.02 0.00 0.31 0.00 0.00 61.69 63.78 2kb0 s THR 52 Cb -0.09 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.37 2kb0 s THR 52 CO 0.01 0.16 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.75 2kb0 s LEU 53 N 0.74 1.66 0.02 4.42 2.96 -0.79 -2.91 118.68 124.79 2kb0 s LEU 53 Ca 0.55 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 2kb0 s LEU 53 Cb -0.27 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 2kb0 s LEU 53 CO 0.30 0.04 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.40 2kb0 s GLY 54 N 0.68 0.74 -0.15 7.98 0.00 -1.25 -1.27 107.32 114.06 2kb0 s GLY 54 Ca -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 2kb0 s GLY 54 CO 0.04 -0.68 -0.00 1.08 0.00 0.00 0.00 173.10 173.54 2kb0 s LEU 55 N -0.81 3.47 -0.10 0.66 1.43 -1.25 -3.33 118.68 118.75 2kb0 s LEU 55 Ca 0.03 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 2kb0 s LEU 55 Cb -0.07 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2kb0 s LEU 55 CO 0.01 0.22 -0.21 -0.36 0.23 0.00 0.00 176.35 176.24 2kb0 s PHE 56 N 0.08 2.62 0.27 0.29 0.08 -0.03 -4.51 117.98 116.78 2kb0 s PHE 56 Ca 0.02 -0.85 0.02 0.00 0.12 0.00 0.00 56.93 56.24 2kb0 s PHE 56 Cb -0.13 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2kb0 s PHE 56 CO 0.02 -0.30 0.14 0.16 -0.10 0.00 0.00 175.22 175.13 2kb0 s ASP 57 N 0.21 1.19 0.26 1.36 1.47 -1.26 -2.43 116.67 117.48 2kb0 s ASP 57 Ca -0.13 -1.48 -0.29 0.00 1.18 0.00 0.00 52.55 51.83 2kb0 s ASP 57 Cb -0.16 0.32 -0.09 0.00 -0.34 0.00 0.00 42.92 42.64 2kb0 s ASP 57 CO 0.07 -0.83 1.20 -0.89 0.68 0.00 0.00 175.17 175.39 2kb0 s THR 58 N -3.74 3.27 -0.41 2.11 2.01 -1.26 -4.94 115.64 112.67 2kb0 s THR 58 Ca 0.37 1.20 0.08 0.00 0.31 0.00 0.00 61.69 63.65 2kb0 s THR 58 Cb 0.06 -3.76 0.38 0.00 0.01 0.00 0.00 72.50 69.18 2kb0 s THR 58 CO 0.16 0.25 1.30 0.00 -0.69 0.00 0.00 174.62 175.64 2kb0 n ALA 59 N 1.55 0.82 -0.78 7.40 0.00 -1.26 -5.11 120.51 123.12 2kb0 n ALA 59 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2kb0 n ALA 59 Cb 0.44 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2kb0 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb0 n GLY 60 N -0.39 3.14 3.70 0.00 0.00 -1.26 -4.88 105.19 105.50 2kb0 n GLY 60 Ca -0.01 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2kb0 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kb0 n GLN 61 N 13.56 -6.77 0.11 1.61 6.02 -1.26 -4.89 117.38 125.76 2kb0 n GLN 61 Ca 0.00 0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 57.49 2kb0 n GLN 61 Cb 0.00 -5.71 -0.15 0.00 1.02 0.00 0.00 30.24 25.40 2kb0 n GLN 61 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2kb0 h GLU 62 N -2.37 0.46 -0.48 -1.09 4.81 -2.03 -3.25 114.58 110.63 2kb0 h GLU 62 Ca -0.57 -0.77 0.00 0.00 -0.13 0.00 0.00 59.36 57.89 2kb0 h GLU 62 Cb 1.37 0.28 0.00 0.00 0.63 0.00 0.00 28.75 31.03 2kb0 h GLU 62 CO 0.61 1.37 0.00 -0.40 -0.73 0.00 0.00 179.01 179.85 2kb0 n ASP 63 N -3.88 1.58 -0.26 1.04 5.68 -1.26 -3.77 116.55 115.68 2kb0 n ASP 63 Ca -0.16 -2.10 0.08 0.00 -0.50 0.00 0.00 54.79 52.11 2kb0 n ASP 63 Cb 0.99 -0.31 0.38 0.00 -1.14 0.00 0.00 41.12 41.05 2kb0 n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2kb0 n TYR 64 N 0.13 0.12 -1.05 2.11 4.02 -1.23 -4.84 117.16 116.42 2kb0 n TYR 64 Ca 0.07 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.90 57.89 2kb0 n TYR 64 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.62 2kb0 n TYR 64 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2kb0 n ASP 65 N -0.24 -3.93 0.03 7.72 -0.08 -1.25 -4.87 116.55 113.95 2kb0 n ASP 65 Ca 0.13 0.04 0.10 0.00 -1.51 0.00 0.00 54.79 53.54 2kb0 n ASP 65 Cb 0.17 -1.56 0.53 0.00 2.34 0.00 0.00 41.12 42.60 2kb0 n ASP 65 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2kb0 h ARG 66 N 0.52 0.30 -6.99 -0.67 2.43 -1.79 -3.43 114.38 104.75 2kb0 h ARG 66 Ca -0.03 -0.02 -0.41 0.00 -0.81 0.00 0.00 59.98 58.71 2kb0 h ARG 66 Cb 0.35 -0.07 0.22 0.00 -0.42 0.00 0.00 29.97 30.05 2kb0 h ARG 66 CO 0.05 0.20 -0.19 1.28 -1.51 0.00 0.00 179.97 179.80 2kb0 n LEU 67 N -4.48 -1.56 -1.57 3.80 4.77 -1.26 -4.64 117.00 112.06 2kb0 n LEU 67 Ca 0.05 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2kb0 n LEU 67 Cb 0.24 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2kb0 n LEU 67 CO 0.35 -3.68 -0.47 0.54 -1.33 0.00 0.00 177.39 172.79 2kb0 n ARG 68 N -4.85 -4.25 0.00 3.23 5.12 -1.26 -3.96 116.66 110.68 2kb0 n ARG 68 Ca 0.05 3.26 0.00 0.00 -1.93 0.00 0.00 57.85 59.22 2kb0 n ARG 68 Cb 0.56 -3.94 0.00 0.00 -1.16 0.00 0.00 32.46 27.92 2kb0 n ARG 68 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2kb0 n PRO 69 N -2.07 0.02 0.12 5.56 -0.04 -1.26 -4.19 135.00 133.14 2kb0 n PRO 69 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2kb0 n PRO 69 Cb 0.33 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 2kb0 n PRO 69 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kb0 h LEU 70 N 1.66 -1.34 -0.35 1.53 5.85 -1.83 -1.57 115.31 119.26 2kb0 h LEU 70 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2kb0 h LEU 70 Cb 0.01 0.49 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2kb0 h LEU 70 CO 0.00 -0.49 -0.10 -1.54 -0.34 0.00 0.00 178.44 175.96 2kb0 n SER 71 N -5.04 0.64 -3.35 1.25 3.41 -1.26 -4.94 113.62 104.33 2kb0 n SER 71 Ca -0.08 -0.79 -0.18 0.00 -0.26 0.00 0.00 58.87 57.56 2kb0 n SER 71 Cb 0.36 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 2kb0 n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2kb0 n TYR 72 N -0.76 -2.34 -1.84 7.33 4.01 -0.59 -4.93 117.16 118.04 2kb0 n TYR 72 Ca 0.16 0.81 -0.38 0.00 -0.16 0.00 0.00 57.90 58.33 2kb0 n TYR 72 Cb 0.28 -4.14 0.04 0.00 -0.31 0.00 0.00 39.34 35.21 2kb0 n TYR 72 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kb0 s PRO 73 N -4.78 3.09 0.07 -0.72 0.04 -1.26 -5.04 135.00 126.40 2kb0 s PRO 73 Ca 0.40 2.13 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 2kb0 s PRO 73 Cb -0.07 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2kb0 s PRO 73 CO 0.76 -1.19 0.03 1.14 0.04 0.00 0.00 177.00 177.77 2kb0 s GLN 74 N -3.00 0.70 0.14 4.56 -2.07 -1.26 -5.11 119.66 113.62 2kb0 s GLN 74 Ca 0.73 -1.19 0.08 0.00 -1.82 0.00 0.00 55.36 53.16 2kb0 s GLN 74 Cb -0.38 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.74 2kb0 s GLN 74 CO 0.44 -0.16 -0.18 0.95 -1.32 0.00 0.00 175.29 175.02 2kb0 s THR 75 N -3.92 1.69 0.00 3.63 -4.23 -1.26 -4.99 115.64 106.56 2kb0 s THR 75 Ca 0.09 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2kb0 s THR 75 Cb 0.07 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.20 2kb0 s THR 75 CO -0.09 -0.28 0.00 0.47 -0.54 0.00 0.00 174.62 174.18 2kb0 n ASP 76 N 0.52 0.30 -3.90 3.99 8.00 -1.26 -5.02 116.55 119.17 2kb0 n ASP 76 Ca -0.15 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.16 2kb0 n ASP 76 Cb 0.56 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.24 0.48 -0.18 2.53 1.01 -1.17 -4.82 120.40 117.00 2kb0 s VAL 77 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2kb0 s VAL 77 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2kb0 s VAL 77 CO 0.00 0.19 -0.01 -0.36 0.00 0.00 0.00 175.10 174.92 2kb0 s PHE 78 N 0.65 3.05 -0.14 5.22 0.40 -1.25 -1.52 117.98 124.39 2kb0 s PHE 78 Ca -0.08 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 2kb0 s PHE 78 Cb -0.12 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2kb0 s PHE 78 CO -0.00 -0.14 -0.20 -1.17 0.70 0.00 0.00 175.22 174.41 2kb0 s LEU 79 N 0.72 2.25 -0.01 -0.37 2.96 0.16 -1.59 118.68 122.80 2kb0 s LEU 79 Ca -0.00 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2kb0 s LEU 79 Cb -0.14 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 2kb0 s LEU 79 CO 0.02 0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.37 2kb0 s VAL 80 N 0.70 0.73 -0.05 1.68 1.01 -0.59 -1.20 120.40 122.68 2kb0 s VAL 80 Ca -0.09 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2kb0 s VAL 80 Cb -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2kb0 s VAL 80 CO 0.01 0.21 -0.14 0.00 0.00 0.00 0.00 175.10 175.19 2kb0 s PHE 82 N 0.26 0.62 0.23 0.00 -0.71 -1.04 -4.22 117.98 113.13 2kb0 s PHE 82 Ca -0.07 -0.94 -0.30 0.00 -1.04 0.00 0.00 56.93 54.59 2kb0 s PHE 82 Cb -0.12 -0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 41.19 2kb0 s PHE 82 CO 0.02 -0.27 1.03 -1.12 -1.34 0.00 0.00 175.22 173.54 2kb0 s SER 83 N -2.74 7.44 0.16 1.98 0.01 -1.26 -2.58 113.70 116.69 2kb0 s SER 83 Ca 0.05 2.07 0.23 0.00 1.31 0.00 0.00 55.95 59.61 2kb0 s SER 83 Cb 0.04 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.74 2kb0 s SER 83 CO -0.07 -0.03 1.09 0.55 0.41 0.00 0.00 173.24 175.19 2kb0 n VAL 84 N 1.67 0.48 1.13 3.43 3.14 -1.25 -3.83 118.33 123.09 2kb0 n VAL 84 Ca -0.00 -0.44 0.13 0.00 -2.96 0.00 0.00 64.34 61.07 2kb0 n VAL 84 Cb 0.46 -0.21 0.46 0.00 -1.06 0.00 0.00 33.84 33.50 2kb0 n VAL 84 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2kb0 n VAL 85 N -2.44 0.00 -3.51 1.55 0.31 -1.26 -3.65 118.33 109.33 2kb0 n VAL 85 Ca 0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 2kb0 n VAL 85 Cb 0.51 -0.04 -0.10 0.00 -0.91 0.00 0.00 33.84 33.31 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2kb0 s SER 86 N -2.82 5.89 0.18 4.52 0.01 -1.25 -4.69 113.70 115.54 2kb0 s SER 86 Ca 0.18 -1.23 -0.15 0.00 1.31 0.00 0.00 55.95 56.05 2kb0 s SER 86 Cb 0.19 -2.08 0.14 0.00 0.21 0.00 0.00 66.02 64.48 2kb0 s SER 86 CO 0.58 -0.52 1.68 -0.65 0.41 0.00 0.00 173.24 174.74 2kb0 h PRO 87 N 8.55 0.07 -0.97 12.44 0.11 -1.89 -0.71 132.00 149.61 2kb0 h PRO 87 Ca -0.26 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.88 2kb0 h PRO 87 Cb 1.10 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 2kb0 h PRO 87 CO 0.77 0.05 0.64 0.77 -0.21 0.00 0.00 178.00 180.01 2kb0 h SER 88 N 0.08 1.06 0.26 -2.05 0.02 -1.96 0.22 113.55 111.17 2kb0 h SER 88 Ca 0.22 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2kb0 h SER 88 Cb 0.33 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kb0 h SER 88 CO -0.40 0.72 -0.02 -1.28 -1.14 0.00 0.00 176.83 174.71 2kb0 h SER 89 N 1.23 0.00 0.00 3.07 0.87 -1.46 -0.66 113.55 116.60 2kb0 h SER 89 Ca 0.39 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2kb0 h SER 89 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2kb0 h SER 89 CO -0.12 0.02 -0.00 0.15 -0.53 0.00 0.00 176.83 176.36 2kb0 h PHE 90 N 0.00 -0.00 -0.57 2.24 3.57 0.09 -2.92 116.94 119.34 2kb0 h PHE 90 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2kb0 h PHE 90 Cb 0.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2kb0 h PHE 90 CO 0.00 0.72 -0.01 1.49 -2.23 0.00 0.00 178.31 178.28 2kb0 h GLU 91 N -0.72 1.01 -0.51 1.11 4.57 -1.16 -2.40 114.58 116.48 2kb0 h GLU 91 Ca -0.00 -0.31 0.08 0.00 -1.18 0.00 0.00 59.36 57.95 2kb0 h GLU 91 Cb 0.72 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2kb0 h GLU 91 CO 0.00 0.99 0.34 -0.91 -1.18 0.00 0.00 179.01 178.26 2kb0 h ASN 92 N 0.92 0.30 -0.69 1.04 2.35 -1.20 0.13 115.58 118.43 2kb0 h ASN 92 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2kb0 h ASN 92 Cb 0.55 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2kb0 h ASN 92 CO 0.03 0.19 0.41 0.58 -1.65 0.00 0.00 177.43 176.99 2kb0 h VAL 93 N 0.34 1.20 0.00 2.81 2.07 -1.22 -2.27 116.25 119.18 2kb0 h VAL 93 Ca 0.23 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2kb0 h VAL 93 Cb 0.46 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2kb0 h VAL 93 CO -0.05 0.22 -0.79 0.29 0.02 0.00 0.00 177.57 177.25 2kb0 n LYS 94 N -4.39 0.07 0.07 1.57 5.02 -0.17 -3.21 118.16 117.13 2kb0 n LYS 94 Ca 0.07 -0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.28 2kb0 n LYS 94 Cb 0.08 -1.52 0.05 0.00 -0.02 0.00 0.00 35.03 33.61 2kb0 n LYS 94 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kb0 h GLU 95 N 0.00 0.29 0.00 1.97 4.81 -0.23 -3.28 114.58 118.14 2kb0 h GLU 95 Ca 0.00 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 2kb0 h GLU 95 Cb 0.55 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2kb0 h GLU 95 CO 0.00 0.90 -1.49 1.63 -0.73 0.00 0.00 179.01 179.32 2kb0 n LYS 96 N -3.80 0.21 -0.00 1.92 5.02 -1.17 -4.54 118.16 115.80 2kb0 n LYS 96 Ca -0.03 0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.45 2kb0 n LYS 96 Cb 0.71 -1.10 0.79 0.00 -0.02 0.00 0.00 35.03 35.40 2kb0 n LYS 96 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2kb0 n TRP 97 N -2.87 0.01 -0.08 2.13 5.03 -1.20 -2.42 117.44 118.04 2kb0 n TRP 97 Ca -0.16 -0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.24 2kb0 n TRP 97 Cb 0.65 0.00 -0.07 0.00 -1.03 0.00 0.00 31.31 30.87 2kb0 n TRP 97 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 2kb0 n VAL 98 N -0.71 0.88 -0.08 -0.99 0.31 -1.24 -4.42 118.33 112.09 2kb0 n VAL 98 Ca 0.21 -0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 2kb0 n VAL 98 Cb 0.15 -1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 31.83 2kb0 n VAL 98 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2kb0 n PRO 99 N -3.16 0.49 0.24 5.55 -0.04 -1.26 -4.41 135.00 132.41 2kb0 n PRO 99 Ca -0.29 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 2kb0 n PRO 99 Cb 0.77 -1.60 0.57 0.00 -0.04 0.00 0.00 33.50 33.20 2kb0 n PRO 99 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kb0 h GLU 100 N -1.00 0.00 -0.39 0.54 4.81 -1.77 -1.72 114.58 115.05 2kb0 h GLU 100 Ca -0.04 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2kb0 h GLU 100 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2kb0 h GLU 100 CO -0.02 0.11 0.38 0.97 -0.73 0.00 0.00 179.01 179.72 2kb0 h ILE 101 N 0.00 0.46 -0.82 2.32 6.09 -1.68 0.59 117.51 124.47 2kb0 h ILE 101 Ca -0.00 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.52 2kb0 h ILE 101 Cb 0.20 0.70 -0.05 0.00 0.47 0.00 0.00 36.82 38.15 2kb0 h ILE 101 CO 0.01 0.00 0.54 0.74 -3.07 0.00 0.00 178.15 176.38 2kb0 h THR 102 N 0.00 1.14 -0.97 2.19 2.02 -1.52 -1.85 112.91 113.92 2kb0 h THR 102 Ca 0.19 -0.35 0.14 0.00 0.77 0.00 0.00 66.41 67.16 2kb0 h THR 102 Cb 0.95 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 2kb0 h THR 102 CO -0.00 0.19 0.59 0.45 0.37 0.00 0.00 175.52 177.11 2kb0 h HIS 103 N 1.02 1.05 -0.81 3.16 3.86 -1.06 0.16 115.15 122.53 2kb0 h HIS 103 Ca 0.33 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.69 2kb0 h HIS 103 Cb 0.03 -0.32 -0.06 0.00 1.06 0.00 0.00 27.41 28.12 2kb0 h HIS 103 CO -0.00 0.34 0.53 0.45 0.86 0.00 0.00 177.93 180.11 2kb0 h HIS 104 N 0.86 0.72 0.00 2.45 -0.00 -1.46 -3.45 115.15 114.26 2kb0 h HIS 104 Ca 0.51 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.90 2kb0 h HIS 104 Cb 0.63 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2kb0 h HIS 104 CO -0.02 0.30 0.00 0.00 -0.00 0.00 0.00 177.93 178.21 2kb0 h PRO 106 N 0.00 0.39 -3.70 0.00 0.13 -1.89 -3.41 132.00 123.52 2kb0 h PRO 106 Ca 0.00 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.85 2kb0 h PRO 106 Cb 0.00 -0.08 -0.30 0.00 0.13 0.00 0.00 31.00 30.75 2kb0 h PRO 106 CO 0.00 0.29 -0.72 -1.59 -0.23 0.00 0.00 178.00 175.75 2kb0 s LYS 107 N -5.30 0.01 -0.30 0.86 -2.85 -1.26 -5.04 119.74 105.87 2kb0 s LYS 107 Ca -0.07 0.04 -0.25 0.00 -1.00 0.00 0.00 55.97 54.69 2kb0 s LYS 107 Cb 0.17 -0.08 0.18 0.00 -2.06 0.00 0.00 37.83 36.04 2kb0 s LYS 107 CO 0.72 -0.04 1.39 0.95 0.10 0.00 0.00 175.35 178.47 2kb0 s THR 108 N 0.26 0.00 0.02 3.79 -4.23 -1.26 -5.13 115.64 109.08 2kb0 s THR 108 Ca -0.02 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.18 2kb0 s THR 108 Cb -0.03 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.75 2kb0 s THR 108 CO -0.01 0.00 1.44 -2.16 -0.54 0.00 0.00 174.62 173.35 2kb0 s PRO 109 N 0.09 4.27 -0.05 3.99 0.04 -1.26 -4.94 135.00 137.14 2kb0 s PRO 109 Ca 0.06 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.18 2kb0 s PRO 109 Cb -0.05 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2kb0 s PRO 109 CO -0.14 -0.59 -0.19 -0.06 0.04 0.00 0.00 177.00 176.05 2kb0 s PHE 110 N 2.37 2.57 -0.20 0.56 0.08 -1.26 -3.92 117.98 118.18 2kb0 s PHE 110 Ca 0.65 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.36 2kb0 s PHE 110 Cb -0.33 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2kb0 s PHE 110 CO 0.28 0.05 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.83 2kb0 s LEU 111 N -0.57 2.62 -0.18 -0.37 1.02 -0.62 -3.69 118.68 116.88 2kb0 s LEU 111 Ca 0.08 -0.47 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 2kb0 s LEU 111 Cb -0.11 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.45 2kb0 s LEU 111 CO 0.01 0.01 -0.05 -0.76 0.02 0.00 0.00 176.35 175.58 2kb0 s LEU 112 N 1.28 3.02 -0.05 1.79 1.43 -1.08 -1.54 118.68 123.53 2kb0 s LEU 112 Ca 0.03 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2kb0 s LEU 112 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2kb0 s LEU 112 CO -0.05 0.08 -0.20 -0.69 0.23 0.00 0.00 176.35 175.71 2kb0 s VAL 113 N 0.91 2.55 -0.24 -1.59 1.01 0.50 -3.32 120.40 120.22 2kb0 s VAL 113 Ca -0.01 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 2kb0 s VAL 113 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2kb0 s VAL 113 CO 0.01 0.58 0.46 -0.83 0.00 0.00 0.00 175.10 175.32 2kb0 s GLY 114 N -0.53 1.95 0.37 4.51 0.00 0.43 -2.48 107.32 111.58 2kb0 s GLY 114 Ca 0.07 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.28 2kb0 s GLY 114 CO 0.01 1.05 0.11 -1.08 0.00 0.00 0.00 173.10 173.19 2kb0 s THR 115 N 1.89 2.54 -1.41 0.90 -1.32 -1.07 -0.33 115.64 116.84 2kb0 s THR 115 Ca 0.20 -1.79 -0.09 0.00 -1.21 0.00 0.00 61.69 58.79 2kb0 s THR 115 Cb -0.15 -2.93 0.02 0.00 -1.51 0.00 0.00 72.50 67.93 2kb0 s THR 115 CO 0.09 -0.10 1.08 0.00 -2.21 0.00 0.00 174.62 173.48 2kb0 n GLN 116 N -1.12 -7.19 0.00 7.08 6.02 -1.19 -3.92 117.38 117.06 2kb0 n GLN 116 Ca -0.03 0.80 0.10 0.00 -0.01 0.00 0.00 57.00 57.86 2kb0 n GLN 116 Cb 0.63 -5.80 0.48 0.00 1.02 0.00 0.00 30.24 26.57 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2kb0 n ILE 117 N -4.89 0.47 1.56 5.09 -5.35 -1.25 -2.29 119.36 112.69 2kb0 n ILE 117 Ca 0.00 0.12 0.15 0.00 -0.27 0.00 0.00 62.75 62.74 2kb0 n ILE 117 Cb 0.56 -0.78 0.70 0.00 -1.74 0.00 0.00 39.64 38.38 2kb0 n ILE 117 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2kb0 n ASP 118 N -1.36 0.44 0.12 7.28 5.68 -1.26 -3.06 116.55 124.39 2kb0 n ASP 118 Ca 0.08 -0.75 -0.01 0.00 -0.50 0.00 0.00 54.79 53.61 2kb0 n ASP 118 Cb 0.19 -0.07 0.03 0.00 -1.14 0.00 0.00 41.12 40.13 2kb0 n ASP 118 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2kb0 h LEU 119 N 0.60 0.00 -8.12 -2.12 5.85 -1.84 -3.39 115.31 106.29 2kb0 h LEU 119 Ca 0.00 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.09 2kb0 h LEU 119 Cb 0.28 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.18 2kb0 h LEU 119 CO 0.00 0.66 1.02 -0.60 -0.34 0.00 0.00 178.44 179.18 2kb0 s ARG 120 N -3.02 3.45 0.00 1.25 3.52 -1.17 -3.74 118.95 119.23 2kb0 s ARG 120 Ca 0.02 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 2kb0 s ARG 120 Cb 0.09 -4.83 0.00 0.00 -1.56 0.00 0.00 34.95 28.66 2kb0 s ARG 120 CO 0.76 -1.97 0.00 -0.40 -0.81 0.00 0.00 175.30 172.88 2kb0 n ASP 121 N 7.90 0.00 -4.77 -2.12 5.68 -1.26 -5.07 116.55 116.91 2kb0 n ASP 121 Ca 0.19 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 54.08 2kb0 n ASP 121 Cb 0.49 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 2kb0 n ASP 121 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2kb0 s ASP 122 N 0.00 6.66 0.33 -1.12 1.01 -1.25 -4.92 116.67 117.38 2kb0 s ASP 122 Ca 0.00 2.57 0.10 0.00 0.71 0.00 0.00 52.55 55.93 2kb0 s ASP 122 Cb 0.00 -2.64 0.57 0.00 1.01 0.00 0.00 42.92 41.86 2kb0 s ASP 122 CO 0.00 -0.60 1.75 1.55 0.21 0.00 0.00 175.17 178.08 2kb0 h PRO 123 N 3.11 0.11 -0.71 8.23 0.13 -2.00 -3.05 132.00 137.82 2kb0 h PRO 123 Ca -0.49 -0.05 0.15 0.00 -0.87 0.00 0.00 66.00 64.75 2kb0 h PRO 123 Cb 1.23 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2kb0 h PRO 123 CO 0.64 0.50 0.48 0.77 -0.23 0.00 0.00 178.00 180.16 2kb0 h SER 124 N 0.09 0.29 0.00 1.44 0.02 -1.96 -1.09 113.55 112.34 2kb0 h SER 124 Ca 0.01 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kb0 h SER 124 Cb 0.76 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2kb0 h SER 124 CO 0.06 0.15 -0.00 0.71 -1.14 0.00 0.00 176.83 176.60 2kb0 h THR 125 N 0.30 1.58 0.00 -2.27 1.35 -1.84 -3.04 112.91 109.00 2kb0 h THR 125 Ca 0.34 -2.14 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2kb0 h THR 125 Cb 0.91 2.97 -0.00 0.00 -1.73 0.00 0.00 68.15 70.30 2kb0 h THR 125 CO -0.09 0.53 -0.01 -0.29 -0.25 0.00 0.00 175.52 175.41 2kb0 h ILE 126 N -0.98 0.98 0.00 6.82 2.10 -1.55 -1.32 117.51 123.56 2kb0 h ILE 126 Ca -0.00 -0.02 -0.00 0.00 1.08 0.00 0.00 64.86 65.91 2kb0 h ILE 126 Cb 0.87 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 2kb0 h ILE 126 CO 0.00 0.01 -0.00 -0.33 -1.08 0.00 0.00 178.15 176.75 2kb0 h GLU 127 N 0.00 -0.01 -0.49 2.19 5.08 -1.30 0.56 114.58 120.62 2kb0 h GLU 127 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kb0 h GLU 127 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2kb0 h GLU 127 CO 0.00 0.56 0.25 0.87 -1.00 0.00 0.00 179.01 179.69 2kb0 h LYS 128 N -0.57 0.67 -0.09 2.33 1.57 -1.34 -2.12 116.57 117.02 2kb0 h LYS 128 Ca -0.00 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 2kb0 h LYS 128 Cb 0.56 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.75 2kb0 h LYS 128 CO 0.00 0.50 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.44 2kb0 h LEU 129 N 0.67 0.87 -1.41 2.94 3.38 -1.23 -3.14 115.31 117.40 2kb0 h LEU 129 Ca 0.17 -0.62 0.22 0.00 0.09 0.00 0.00 57.88 57.74 2kb0 h LEU 129 Cb 0.04 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 2kb0 h LEU 129 CO -0.03 1.42 0.62 0.00 0.09 0.00 0.00 178.44 180.54 2kb0 h ALA 130 N 0.55 2.15 -0.52 1.53 0.00 -0.19 0.51 119.26 123.29 2kb0 h ALA 130 Ca -0.08 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kb0 h ALA 130 Cb 1.51 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2kb0 h ALA 130 CO 0.17 -0.48 0.34 0.87 0.00 0.00 0.00 179.25 180.16 2kb0 h LYS 131 N 0.45 0.65 -0.18 0.00 1.57 -1.45 0.13 116.57 117.74 2kb0 h LYS 131 Ca 0.52 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2kb0 h LYS 131 Cb 1.23 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2kb0 h LYS 131 CO -0.23 0.43 0.00 0.09 -0.57 0.00 0.00 179.45 179.17 2kb0 n ASN 132 N -4.46 1.22 -3.35 0.86 5.03 0.18 -4.89 115.26 109.84 2kb0 n ASN 132 Ca 0.05 -1.82 -0.24 0.00 0.87 0.00 0.00 54.58 53.44 2kb0 n ASN 132 Cb 0.08 -0.12 0.04 0.00 -1.02 0.00 0.00 39.78 38.75 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 0.10 -5.38 -4.06 3.52 5.02 0.47 -4.97 118.16 112.85 2kb0 n LYS 133 Ca 0.12 0.76 -0.16 0.00 -2.02 0.00 0.00 58.31 57.01 2kb0 n LYS 133 Cb 0.22 -5.65 -0.15 0.00 -0.02 0.00 0.00 35.03 29.44 2kb0 n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kb0 s GLN 134 N -6.04 0.38 0.24 1.97 -0.21 -1.17 -5.03 119.66 109.80 2kb0 s GLN 134 Ca 0.44 -0.08 0.11 0.00 0.02 0.00 0.00 55.36 55.84 2kb0 s GLN 134 Cb -0.21 -0.42 -0.05 0.00 1.00 0.00 0.00 33.01 33.34 2kb0 s GLN 134 CO 0.54 0.01 -0.13 0.15 -2.12 0.00 0.00 175.29 173.74 2kb0 s LYS 135 N 0.31 1.90 0.80 2.91 1.02 -1.26 -4.07 119.74 121.36 2kb0 s LYS 135 Ca -0.03 -1.52 -0.15 0.00 0.02 0.00 0.00 55.97 54.29 2kb0 s LYS 135 Cb -0.06 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2kb0 s LYS 135 CO -0.01 0.37 0.61 -0.35 -0.92 0.00 0.00 175.35 175.05 2kb0 n PRO 136 N -0.39 0.12 -3.81 -1.68 -0.04 -1.26 -4.91 135.00 123.03 2kb0 n PRO 136 Ca -0.08 0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2kb0 n PRO 136 Cb 0.58 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 2kb0 n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kb0 s ILE 137 N -2.07 5.38 0.57 0.52 1.01 -1.24 -5.08 121.20 120.28 2kb0 s ILE 137 Ca 0.64 0.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 2kb0 s ILE 137 Cb -0.30 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2kb0 s ILE 137 CO 0.59 0.47 0.98 0.28 0.00 0.00 0.00 174.94 177.26 2kb0 s THR 138 N -1.19 4.70 0.59 2.92 -1.32 -1.26 -4.93 115.64 115.15 2kb0 s THR 138 Ca 0.23 0.86 0.35 0.00 -1.21 0.00 0.00 61.69 61.92 2kb0 s THR 138 Cb -0.13 -3.83 0.39 0.00 -1.51 0.00 0.00 72.50 67.42 2kb0 s THR 138 CO 0.12 -0.98 2.28 1.55 -2.21 0.00 0.00 174.62 175.38 2kb0 h PRO 139 N 0.10 0.00 -0.76 7.08 0.13 -1.99 -2.25 132.00 134.31 2kb0 h PRO 139 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2kb0 h PRO 139 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2kb0 h PRO 139 CO 0.62 0.01 0.38 1.49 -0.23 0.00 0.00 178.00 180.27 2kb0 h GLU 140 N 0.00 1.08 -0.47 0.86 4.81 -1.99 0.21 114.58 119.07 2kb0 h GLU 140 Ca -0.00 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2kb0 h GLU 140 Cb 0.05 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2kb0 h GLU 140 CO 0.00 0.82 0.09 1.15 -0.73 0.00 0.00 179.01 180.34 2kb0 h THR 141 N 1.07 1.21 -0.03 0.32 2.02 -1.78 -2.68 112.91 113.04 2kb0 h THR 141 Ca 0.26 -0.78 -0.25 0.00 0.77 0.00 0.00 66.41 66.41 2kb0 h THR 141 Cb 0.09 0.76 0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2kb0 h THR 141 CO -0.04 0.28 -0.97 0.00 0.37 0.00 0.00 175.52 175.16 2kb0 h ALA 142 N 1.41 0.20 -0.51 6.16 0.00 -1.45 -3.25 119.26 121.83 2kb0 h ALA 142 Ca 0.15 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2kb0 h ALA 142 Cb 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2kb0 h ALA 142 CO 0.00 0.70 0.34 1.49 0.00 0.00 0.00 179.25 181.78 2kb0 h GLU 143 N 0.41 0.60 -0.55 0.00 4.81 -0.69 -1.64 114.58 117.52 2kb0 h GLU 143 Ca -0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2kb0 h GLU 143 Cb 1.62 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 2kb0 h GLU 143 CO 0.19 0.40 0.25 0.87 -0.73 0.00 0.00 179.01 179.99 2kb0 h LYS 144 N 0.62 0.78 -0.61 1.92 1.57 -1.51 -1.35 116.57 117.98 2kb0 h LYS 144 Ca 0.20 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2kb0 h LYS 144 Cb 0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2kb0 h LYS 144 CO -0.05 0.62 0.40 1.25 -0.57 0.00 0.00 179.45 181.10 2kb0 h LEU 145 N 0.78 0.71 0.00 2.94 5.85 -1.40 -1.59 115.31 122.60 2kb0 h LEU 145 Ca 0.19 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kb0 h LEU 145 Cb 0.11 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2kb0 h LEU 145 CO -0.02 0.51 -0.13 0.00 -0.34 0.00 0.00 178.44 178.46 2kb0 h ALA 146 N 1.61 0.02 0.00 1.25 0.00 -1.36 -2.81 119.26 117.98 2kb0 h ALA 146 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kb0 h ALA 146 Cb -0.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb0 h ALA 146 CO -0.05 0.08 0.00 -2.13 0.00 0.00 0.00 179.25 177.15 2kb0 n ARG 147 N -4.62 0.20 -0.02 0.00 0.63 -0.58 -1.87 116.66 110.40 2kb0 n ARG 147 Ca -0.10 0.07 0.01 0.00 -0.92 0.00 0.00 57.85 56.91 2kb0 n ARG 147 Cb 0.42 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.75 2kb0 n ARG 147 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kb0 n ASP 148 N -1.09 2.55 -1.56 6.15 2.03 -0.60 -4.54 116.55 119.49 2kb0 n ASP 148 Ca 0.05 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.44 2kb0 n ASP 148 Cb 0.04 1.19 0.34 0.00 -0.72 0.00 0.00 41.12 41.97 2kb0 n ASP 148 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kb0 n LEU 149 N -2.07 4.62 -3.24 -2.67 4.77 -0.78 -4.93 117.00 112.70 2kb0 n LEU 149 Ca -0.08 -2.34 -0.23 0.00 -0.03 0.00 0.00 56.01 53.33 2kb0 n LEU 149 Cb 0.50 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2kb0 n LEU 149 CO 0.22 0.71 0.03 0.29 -1.33 0.00 0.00 177.39 177.31 2kb0 n LYS 150 N 0.93 -4.96 -3.70 3.23 5.02 -1.18 -4.81 118.16 112.68 2kb0 n LYS 150 Ca 0.24 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2kb0 n LYS 150 Cb 0.89 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 n ALA 151 N -3.81 0.00 -1.88 7.82 0.00 -1.21 -5.11 120.51 116.33 2kb0 n ALA 151 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kb0 n ALA 151 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2kb0 n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kb0 n VAL 152 N 6.33 -5.73 -4.22 0.00 0.31 -1.26 -4.46 118.33 109.30 2kb0 n VAL 152 Ca 0.00 2.65 -0.20 0.00 -0.01 0.00 0.00 64.34 66.78 2kb0 n VAL 152 Cb 0.00 -3.47 -0.12 0.00 -0.91 0.00 0.00 33.84 29.33 2kb0 n VAL 152 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2kb0 s LYS 153 N -2.41 0.90 0.03 5.55 1.02 -1.24 -4.58 119.74 119.01 2kb0 s LYS 153 Ca 0.00 -0.97 0.08 0.00 0.02 0.00 0.00 55.97 55.11 2kb0 s LYS 153 Cb 0.00 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.33 2kb0 s LYS 153 CO 0.00 0.22 -0.24 1.52 -0.92 0.00 0.00 175.35 175.93 2kb0 s TYR 154 N -1.19 2.08 0.02 3.18 1.13 -1.26 -2.65 117.35 118.67 2kb0 s TYR 154 Ca 0.00 -0.39 0.01 0.00 -1.41 0.00 0.00 57.07 55.28 2kb0 s TYR 154 Cb -0.10 -1.26 -0.02 0.00 -1.10 0.00 0.00 41.96 39.48 2kb0 s TYR 154 CO 0.02 0.08 -0.04 0.08 -2.51 0.00 0.00 175.55 173.18 2kb0 s VAL 155 N -0.75 0.25 -0.26 -3.49 1.01 -1.21 -5.01 120.40 110.94 2kb0 s VAL 155 Ca 0.10 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2kb0 s VAL 155 Cb -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2kb0 s VAL 155 CO 0.01 -0.30 0.30 -1.61 0.00 0.00 0.00 175.10 173.50 2kb0 s GLU 156 N -1.07 4.01 -0.00 2.72 2.02 -1.26 -0.43 118.70 124.69 2kb0 s GLU 156 Ca -0.09 -0.09 0.04 0.00 0.02 0.00 0.00 54.97 54.85 2kb0 s GLU 156 Cb -0.07 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.51 2kb0 s GLU 156 CO -0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 175.26 174.96 2kb0 s SER 158 N -0.43 5.30 0.35 0.00 0.15 -1.20 -3.17 113.70 114.70 2kb0 s SER 158 Ca 0.04 -1.78 0.14 0.00 0.70 0.00 0.00 55.95 55.05 2kb0 s SER 158 Cb -0.05 -1.85 0.63 0.00 -1.71 0.00 0.00 66.02 63.03 2kb0 s SER 158 CO -0.00 -0.50 1.74 0.00 1.20 0.00 0.00 173.24 175.68 2kb0 h ALA 159 N 8.14 1.14 0.00 5.45 0.00 -1.90 0.89 119.26 132.98 2kb0 h ALA 159 Ca -0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kb0 h ALA 159 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kb0 h ALA 159 CO 0.69 0.55 -0.05 -0.07 0.00 0.00 0.00 179.25 180.38 2kb0 h LEU 160 N 0.00 0.00 -9.05 0.00 4.07 -2.00 -3.42 115.31 104.92 2kb0 h LEU 160 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 2kb0 h LEU 160 Cb 0.85 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.45 2kb0 h LEU 160 CO 0.06 0.05 -0.74 -0.89 -1.08 0.00 0.00 178.44 175.84 2kb0 s THR 161 N -4.56 2.02 -1.85 0.22 2.01 -0.91 -4.95 115.64 107.63 2kb0 s THR 161 Ca -0.04 -2.28 0.00 0.00 0.31 0.00 0.00 61.69 59.68 2kb0 s THR 161 Cb 0.15 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.47 2kb0 s THR 161 CO 0.58 -0.49 0.25 0.00 -0.69 0.00 0.00 174.62 174.27 2kb0 n GLN 162 N -0.50 0.27 -0.14 4.92 1.13 -1.26 -2.36 117.38 119.45 2kb0 n GLN 162 Ca -0.07 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.10 2kb0 n GLN 162 Cb 0.61 -1.02 0.29 0.00 0.11 0.00 0.00 30.24 30.23 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 -0.37 2.08 -0.12 -1.09 5.02 -1.23 -3.95 118.16 118.49 2kb0 n LYS 163 Ca 0.00 -1.62 -0.25 0.00 -2.02 0.00 0.00 58.31 54.41 2kb0 n LYS 163 Cb 0.01 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 33.50 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 1.29 -0.42 0.28 0.72 0.00 0.26 -3.23 105.19 104.09 2kb0 n GLY 164 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.92 0.89 -1.96 0.99 4.07 -1.78 0.08 115.31 116.67 2kb0 h LEU 165 Ca -0.58 -0.18 0.03 0.00 0.08 0.00 0.00 57.88 57.24 2kb0 h LEU 165 Cb 1.50 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 2kb0 h LEU 165 CO -0.35 0.82 0.11 0.11 -1.08 0.00 0.00 178.44 178.05 2kb0 h LYS 166 N 0.90 0.05 0.00 1.13 1.57 -1.81 0.46 116.57 118.86 2kb0 h LYS 166 Ca 0.21 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2kb0 h LYS 166 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2kb0 h LYS 166 CO -0.02 0.03 -0.72 -0.91 -0.57 0.00 0.00 179.45 177.26 2kb0 h ASN 167 N 0.05 0.00 -0.36 0.86 -0.26 -1.60 -3.13 115.58 111.14 2kb0 h ASN 167 Ca 0.07 -0.71 -0.03 0.00 -0.56 0.00 0.00 56.30 55.07 2kb0 h ASN 167 Cb 0.22 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 2kb0 h ASN 167 CO -0.01 1.28 0.15 0.58 -1.06 0.00 0.00 177.43 178.37 2kb0 h VAL 168 N -1.00 1.17 -0.05 2.81 2.07 -0.76 -2.28 116.25 118.21 2kb0 h VAL 168 Ca -0.20 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2kb0 h VAL 168 Cb 1.17 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2kb0 h VAL 168 CO -0.12 0.21 -0.03 0.15 0.02 0.00 0.00 177.57 177.80 2kb0 h PHE 169 N 0.59 0.11 -0.63 1.57 3.57 -0.23 -1.23 116.94 120.69 2kb0 h PHE 169 Ca 0.14 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2kb0 h PHE 169 Cb 0.15 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2kb0 h PHE 169 CO 0.01 0.50 0.41 0.22 -2.23 0.00 0.00 178.31 177.22 2kb0 h ASP 170 N -0.31 0.70 -0.21 0.41 3.58 -1.46 -2.62 116.42 116.51 2kb0 h ASP 170 Ca 0.01 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2kb0 h ASP 170 Cb 0.48 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2kb0 h ASP 170 CO 0.01 0.50 -0.15 -0.08 -2.88 0.00 0.00 179.24 176.64 2kb0 h GLU 171 N 0.83 0.48 -0.86 0.28 4.57 -1.43 -3.07 114.58 115.38 2kb0 h GLU 171 Ca 0.24 -0.23 0.16 0.00 -1.18 0.00 0.00 59.36 58.35 2kb0 h GLU 171 Cb -0.06 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 2kb0 h GLU 171 CO -0.07 0.79 0.56 0.00 -1.18 0.00 0.00 179.01 179.11 2kb0 h ALA 172 N 0.68 1.99 -0.30 2.92 0.00 -1.01 -0.42 119.26 123.12 2kb0 h ALA 172 Ca 0.04 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2kb0 h ALA 172 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kb0 h ALA 172 CO 0.04 -0.23 -0.34 0.82 0.00 0.00 0.00 179.25 179.54 2kb0 h ILE 173 N 0.56 1.29 -0.23 0.00 2.04 -1.38 -3.12 117.51 116.67 2kb0 h ILE 173 Ca 0.43 -1.48 0.06 0.00 1.00 0.00 0.00 64.86 64.87 2kb0 h ILE 173 Cb 0.86 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 2kb0 h ILE 173 CO -0.18 0.48 -0.14 0.25 0.00 0.00 0.00 178.15 178.56 2kb0 h LEU 174 N 0.55 -0.46 -1.72 1.44 5.85 -1.02 -0.63 115.31 119.33 2kb0 h LEU 174 Ca 0.06 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2kb0 h LEU 174 Cb 0.85 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2kb0 h LEU 174 CO 0.07 -0.18 -0.09 0.00 -0.34 0.00 0.00 178.44 177.91 2kb0 h ALA 175 N 1.04 1.78 -0.98 1.25 0.00 -1.55 -2.37 119.26 118.43 2kb0 h ALA 175 Ca 0.13 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2kb0 h ALA 175 Cb 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2kb0 h ALA 175 CO -0.31 0.17 0.62 0.00 0.00 0.00 0.00 179.25 179.73 2kb0 h ALA 176 N 1.85 1.60 -0.45 0.00 0.00 -1.05 0.56 119.26 121.77 2kb0 h ALA 176 Ca 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2kb0 h ALA 176 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kb0 h ALA 176 CO 0.01 0.14 0.12 -0.07 0.00 0.00 0.00 179.25 179.46 2kb0 h LEU 177 N 0.91 0.62 -0.04 0.00 -0.00 -1.35 -3.52 115.31 111.92 2kb0 h LEU 177 Ca 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.28 2kb0 h LEU 177 Cb 0.57 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2kb0 h LEU 177 CO -0.26 0.61 0.00 -0.62 -0.00 0.00 0.00 178.44 178.16