#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 1.99 -0.36 4.61 0.00 -1.26 -4.73 120.51 120.77 2k46 n ALA 2 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2k46 n ALA 2 Cb 0.00 0.44 0.27 0.00 0.00 0.00 0.00 19.45 20.16 2k46 n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k46 n MET 3 N -2.38 2.90 -4.37 0.00 0.00 -1.26 -4.95 117.12 107.07 2k46 n MET 3 Ca 0.00 -2.50 -0.26 0.00 0.00 0.00 0.00 57.70 54.94 2k46 n MET 3 Cb 0.46 -1.52 -0.12 0.00 0.00 0.00 0.00 33.22 32.04 2k46 n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2k46 s SER 4 N -1.02 3.08 0.00 7.83 0.15 -1.26 -4.68 113.70 117.79 2k46 s SER 4 Ca 0.41 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2k46 s SER 4 Cb 0.22 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2k46 s SER 4 CO 0.26 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2k46 n GLY 5 N 0.72 1.02 0.18 9.45 0.00 -1.26 -4.25 105.19 111.05 2k46 n GLY 5 Ca -0.16 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 0.00 0.67 -2.55 0.99 5.85 -1.84 -2.96 115.31 115.47 2k46 h LEU 6 Ca 0.00 -0.65 0.01 0.00 0.84 0.00 0.00 57.88 58.08 2k46 h LEU 6 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2k46 h LEU 6 CO 0.00 1.21 0.14 0.00 -0.34 0.00 0.00 178.44 179.45 2k46 h ALA 7 N 0.48 1.21 0.00 1.25 0.00 -1.78 0.06 119.26 120.49 2k46 h ALA 7 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k46 h ALA 7 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k46 h ALA 7 CO 0.12 -0.15 0.00 0.22 0.00 0.00 0.00 179.25 179.43 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.58 -1.88 -3.21 116.42 114.91 2k46 h ASP 8 Ca 0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.28 2k46 h ASP 8 Cb 0.29 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2k46 h ASP 8 CO -0.00 0.00 -1.90 0.29 -2.88 0.00 0.00 179.24 174.75 2k46 n LYS 9 N -2.82 1.32 -1.42 0.28 4.76 -0.02 -5.01 118.16 115.24 2k46 n LYS 9 Ca 0.02 -0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.00 2k46 n LYS 9 Cb 0.34 -1.37 0.01 0.00 -1.84 0.00 0.00 35.03 32.17 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k46 n VAL 10 N -2.38 1.57 0.00 -0.18 3.14 -1.00 -2.48 118.33 117.00 2k46 n VAL 10 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2k46 n VAL 10 Cb 0.80 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -1.03 0.00 -3.62 1.55 -5.35 -1.18 -4.82 119.36 104.91 2k46 n ILE 11 Ca 0.11 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2k46 n ILE 11 Cb 0.41 0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.30 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.36 -0.35 -0.15 4.28 -0.00 -1.11 -5.07 118.94 116.18 2k46 s TRP 12 Ca 0.00 0.70 -0.13 0.00 -0.00 0.00 0.00 56.10 56.67 2k46 s TRP 12 Cb 0.00 0.21 0.04 0.00 -0.00 0.00 0.00 33.47 33.72 2k46 s TRP 12 CO 0.00 -0.18 0.39 0.00 -0.00 0.00 0.00 176.95 177.16 2k46 s ALA 13 N 1.28 -0.96 -0.11 5.86 0.00 -1.26 -0.65 121.76 125.92 2k46 s ALA 13 Ca -0.08 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 2k46 s ALA 13 Cb -0.03 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.48 2k46 s ALA 13 CO -0.13 -0.19 0.26 0.08 0.00 0.00 0.00 175.76 175.79 2k46 s VAL 14 N 0.29 -0.03 -0.64 0.00 1.01 0.32 -2.44 120.40 118.91 2k46 s VAL 14 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2k46 s VAL 14 Cb -0.03 -0.40 0.16 0.00 0.00 0.00 0.00 36.38 36.11 2k46 s VAL 14 CO -0.00 0.05 0.43 0.21 0.00 0.00 0.00 175.10 175.79 2k46 s ASN 15 N 1.06 4.99 -0.20 3.32 2.47 -1.26 0.35 114.94 125.68 2k46 s ASN 15 Ca -0.08 -3.12 -0.30 0.00 0.42 0.00 0.00 52.86 49.78 2k46 s ASN 15 Cb -0.09 -1.77 -0.07 0.00 -1.45 0.00 0.00 41.25 37.87 2k46 s ASN 15 CO -0.07 -0.27 2.16 0.00 -3.72 0.00 0.00 177.10 175.19 2k46 n ALA 16 N 3.06 1.56 0.00 1.71 0.00 0.86 -3.07 120.51 124.63 2k46 n ALA 16 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k46 n ALA 16 Cb 0.36 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2k46 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k46 n GLY 17 N 5.63 0.55 0.00 0.00 0.00 -1.26 -3.07 105.19 107.05 2k46 n GLY 17 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 4.57 3.63 -0.02 0.00 -1.17 -2.52 105.19 109.67 2k46 n GLY 18 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 4.11 0.55 0.00 1.61 2.12 -1.26 -4.48 118.70 121.35 2k46 s GLU 19 Ca 0.00 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.72 2k46 s GLU 19 Cb 0.00 0.84 0.00 0.00 0.26 0.00 0.00 34.13 35.23 2k46 s GLU 19 CO 0.00 -0.19 0.00 0.43 -0.54 0.00 0.00 175.26 174.96 2k46 n SER 20 N 5.40 -1.39 -4.06 -1.70 7.64 -1.24 -4.89 113.62 113.38 2k46 n SER 20 Ca -0.12 0.31 -0.18 0.00 1.01 0.00 0.00 58.87 59.89 2k46 n SER 20 Cb 0.49 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 63.07 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N 0.00 0.89 -0.32 1.43 2.46 -1.09 -4.90 115.29 113.75 2k46 s HIS 21 Ca 0.00 -0.25 0.01 0.00 0.47 0.00 0.00 55.06 55.29 2k46 s HIS 21 Cb 0.00 -0.55 0.08 0.00 -0.13 0.00 0.00 32.58 31.98 2k46 s HIS 21 CO 0.00 -0.01 0.03 0.54 -2.47 0.00 0.00 174.74 172.83 2k46 s VAL 22 N -0.53 2.68 0.75 0.89 0.11 -1.26 -0.25 120.40 122.79 2k46 s VAL 22 Ca 0.01 -1.82 -0.12 0.00 -2.93 0.00 0.00 61.98 57.12 2k46 s VAL 22 Cb -0.05 -2.72 0.05 0.00 -1.53 0.00 0.00 36.38 32.12 2k46 s VAL 22 CO 0.00 -0.33 1.11 -0.62 -3.33 0.00 0.00 175.10 171.93 2k46 s ASP 23 N 1.25 4.54 0.24 3.54 -1.08 -0.24 -4.80 116.67 120.12 2k46 s ASP 23 Ca 0.01 1.94 -0.12 0.00 -0.52 0.00 0.00 52.55 53.85 2k46 s ASP 23 Cb -0.20 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.04 2k46 s ASP 23 CO -0.04 -2.01 1.58 -0.37 0.52 0.00 0.00 175.17 174.84 2k46 h VAL 24 N -0.79 0.13 -0.06 1.11 -1.51 -1.95 1.10 116.25 114.28 2k46 h VAL 24 Ca -0.45 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.04 2k46 h VAL 24 Cb 1.24 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2k46 h VAL 24 CO 0.51 0.00 0.15 0.45 -1.23 0.00 0.00 177.57 177.45 2k46 h HIS 25 N -0.02 0.00 0.00 5.19 3.86 -2.00 -3.44 115.15 118.74 2k46 h HIS 25 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2k46 h HIS 25 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2k46 h HIS 25 CO -0.69 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.51 2k46 n GLY 26 N -1.23 1.53 3.42 2.45 0.00 0.38 -4.02 105.19 107.71 2k46 n GLY 26 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.71 -0.09 -0.61 -1.09 -1.12 -4.45 121.20 116.56 2k46 s ILE 27 Ca 0.00 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.70 2k46 s ILE 27 Cb 0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2k46 s ILE 27 CO 0.00 -0.11 0.24 -2.28 -1.23 0.00 0.00 174.94 171.56 2k46 s HIS 28 N 1.60 3.63 -0.11 3.97 5.65 -1.25 -1.08 115.29 127.70 2k46 s HIS 28 Ca 0.04 0.68 -0.04 0.00 0.25 0.00 0.00 55.06 55.98 2k46 s HIS 28 Cb -0.18 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 29.10 2k46 s HIS 28 CO 0.07 0.66 0.04 -0.47 -0.65 0.00 0.00 174.74 174.40 2k46 s TYR 29 N -0.90 3.28 -0.45 3.88 5.04 0.65 -4.21 117.35 124.64 2k46 s TYR 29 Ca 0.18 0.24 -0.19 0.00 -2.44 0.00 0.00 57.07 54.86 2k46 s TYR 29 Cb -0.14 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.33 2k46 s TYR 29 CO 0.07 0.47 0.56 1.03 -1.34 0.00 0.00 175.55 176.34 2k46 s ARG 30 N -0.68 3.17 0.01 4.97 0.52 -1.02 -2.66 118.95 123.27 2k46 s ARG 30 Ca 0.11 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.62 2k46 s ARG 30 Cb -0.12 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.32 2k46 s ARG 30 CO 0.02 -1.00 0.19 1.17 0.02 0.00 0.00 175.30 175.71 2k46 n LYS 31 N 5.99 0.00 0.00 3.54 4.81 -1.26 -3.69 118.16 127.55 2k46 n LYS 31 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2k46 n LYS 31 Cb 0.47 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 35.24 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k46 n ASP 32 N 0.33 0.00 -1.04 3.14 8.00 -1.26 -4.76 116.55 120.95 2k46 n ASP 32 Ca 0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.64 2k46 n ASP 32 Cb 0.02 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.35 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k46 n PRO 33 N 0.00 2.54 0.00 -0.24 -0.04 -1.24 -4.16 135.00 131.86 2k46 n PRO 33 Ca 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 2k46 n PRO 33 Cb 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2k46 n PRO 33 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k46 n LEU 34 N 1.23 0.00 -2.99 1.53 4.77 -1.26 -4.49 117.00 115.79 2k46 n LEU 34 Ca 0.18 0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 56.95 2k46 n LEU 34 Cb 0.54 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2k46 n LEU 34 CO 0.13 -0.43 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.07 2k46 n GLU 35 N -2.15 1.02 -0.93 3.23 -0.58 -1.26 -4.86 120.64 115.11 2k46 n GLU 35 Ca 0.00 -3.03 0.00 0.00 -0.42 0.00 0.00 57.16 53.71 2k46 n GLU 35 Cb 0.00 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k46 n GLY 36 N 0.18 0.85 2.66 0.62 0.00 -1.26 -4.89 105.19 103.34 2k46 n GLY 36 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -2.00 1.84 -4.31 1.61 0.00 -1.26 -4.85 116.66 107.68 2k46 n ARG 37 Ca 0.00 -1.34 -0.35 0.00 -0.00 0.00 0.00 57.85 56.16 2k46 n ARG 37 Cb 0.00 -2.40 -0.10 0.00 -0.00 0.00 0.00 32.46 29.96 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k46 s VAL 38 N 3.59 4.32 0.00 8.89 -7.23 -1.26 -4.52 120.40 124.19 2k46 s VAL 38 Ca 0.35 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2k46 s VAL 38 Cb 0.09 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2k46 s VAL 38 CO -0.03 0.56 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 2k46 n GLY 39 N 2.68 1.45 1.90 2.32 0.00 -1.26 -4.97 105.19 107.30 2k46 n GLY 39 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k46 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 40 N -1.43 0.00 0.00 1.61 1.74 -1.26 -5.03 116.66 112.29 2k46 n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2k46 n ARG 40 Cb 0.04 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k46 n ALA 41 N -3.37 0.00 -3.62 7.54 0.00 -1.26 -4.54 120.51 115.25 2k46 n ALA 41 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2k46 n ALA 41 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2k46 n ALA 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k46 n SER 42 N 1.77 -3.69 -1.13 0.00 7.64 -1.26 -4.34 113.62 112.60 2k46 n SER 42 Ca 0.00 -0.89 -0.02 0.00 1.01 0.00 0.00 58.87 58.97 2k46 n SER 42 Cb 0.00 -3.95 0.09 0.00 -1.01 0.00 0.00 64.21 59.33 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k46 n ASP 43 N -2.94 2.80 -4.63 6.43 5.75 -1.26 -4.45 116.55 118.26 2k46 n ASP 43 Ca -0.18 -2.37 -0.43 0.00 -0.01 0.00 0.00 54.79 51.80 2k46 n ASP 43 Cb 0.63 -0.58 -0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k46 n TYR 44 N 0.10 1.51 -3.80 2.11 9.36 -1.26 -1.51 117.16 123.67 2k46 n TYR 44 Ca 0.13 0.61 -0.28 0.00 3.32 0.00 0.00 57.90 61.68 2k46 n TYR 44 Cb 0.69 -2.29 0.05 0.00 -0.63 0.00 0.00 39.34 37.15 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 1.08 -0.52 0.15 2.98 0.00 -1.26 -4.81 105.19 102.82 2k46 n GLY 45 Ca 0.08 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.41 2k46 n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2k46 n MET 46 N -4.81 0.11 -0.18 1.61 1.56 -0.57 -4.67 117.12 110.18 2k46 n MET 46 Ca 0.03 0.60 -0.21 0.00 -0.27 0.00 0.00 57.70 57.86 2k46 n MET 46 Cb 0.54 -1.97 0.20 0.00 2.15 0.00 0.00 33.22 34.14 2k46 n MET 46 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 2k46 n LYS 47 N -2.13 -3.87 -3.21 2.12 2.85 -1.26 -4.46 118.16 108.20 2k46 n LYS 47 Ca -0.01 -0.99 -0.15 0.00 -1.05 0.00 0.00 58.31 56.11 2k46 n LYS 47 Cb 0.12 -1.27 0.07 0.00 -0.65 0.00 0.00 35.03 33.30 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k46 n LEU 48 N 0.00 -5.53 -4.77 -5.58 4.77 -1.26 -4.98 117.00 99.65 2k46 n LEU 48 Ca 0.09 -0.69 -0.32 0.00 -0.03 0.00 0.00 56.01 55.06 2k46 n LEU 48 Cb 0.40 -3.15 0.07 0.00 -2.33 0.00 0.00 43.42 38.41 2k46 n LEU 48 CO 0.27 0.10 0.72 -2.84 -1.33 0.00 0.00 177.39 174.31 2k46 s PRO 49 N -4.38 2.54 0.48 3.23 0.02 -1.26 -4.99 135.00 130.64 2k46 s PRO 49 Ca 0.44 1.29 -0.23 0.00 0.02 0.00 0.00 61.00 62.51 2k46 s PRO 49 Cb -0.06 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 2k46 s PRO 49 CO 0.72 -1.44 1.25 0.42 -0.33 0.00 0.00 177.00 177.62 2k46 s ILE 50 N -2.61 2.70 -0.12 2.83 1.09 -1.26 -4.88 121.20 118.96 2k46 s ILE 50 Ca 0.64 0.54 -0.06 0.00 -1.10 0.00 0.00 60.65 60.67 2k46 s ILE 50 Cb -0.19 -3.28 -0.02 0.00 -1.06 0.00 0.00 42.46 37.91 2k46 s ILE 50 CO 0.48 0.01 -0.12 -0.07 -0.10 0.00 0.00 174.94 175.14 2k46 h LEU 51 N 1.96 0.00 -2.40 2.97 -0.00 -1.94 -3.38 115.31 112.52 2k46 h LEU 51 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 2k46 h LEU 51 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 2k46 h LEU 51 CO 0.60 0.65 0.00 0.54 -0.00 0.00 0.00 178.44 180.22 2k46 n ARG 52 N -4.55 0.59 -4.00 1.13 3.00 -1.26 -4.73 116.66 106.84 2k46 n ARG 52 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.66 2k46 n ARG 52 Cb 0.18 -1.21 -0.14 0.00 0.00 0.00 0.00 32.46 31.29 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k46 s SER 53 N 1.28 0.30 0.51 0.55 0.15 -1.26 -4.93 113.70 110.31 2k46 s SER 53 Ca 0.00 -0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 2k46 s SER 53 Cb 0.00 -0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.23 2k46 s SER 53 CO 0.00 0.01 1.34 0.21 1.20 0.00 0.00 173.24 175.99 2k46 s ASN 54 N -0.17 5.53 0.26 5.45 2.47 -1.26 -4.56 114.94 122.66 2k46 s ASN 54 Ca -0.00 2.71 -0.10 0.00 0.42 0.00 0.00 52.86 55.88 2k46 s ASN 54 Cb -0.02 -2.63 0.39 0.00 -1.45 0.00 0.00 41.25 37.54 2k46 s ASN 54 CO -0.00 -1.39 1.52 -2.65 -3.72 0.00 0.00 177.10 170.86 2k46 n PRO 55 N -0.79 -0.13 0.22 0.43 -0.02 -1.26 0.24 135.00 133.69 2k46 n PRO 55 Ca 0.09 1.52 -0.14 0.00 -2.02 0.00 0.00 63.50 62.95 2k46 n PRO 55 Cb 0.45 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 2k46 n PRO 55 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k46 h GLU 56 N 0.00 -0.55 0.00 -0.52 4.39 -1.99 -2.56 114.58 113.35 2k46 h GLU 56 Ca 0.43 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2k46 h GLU 56 Cb 0.68 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2k46 h GLU 56 CO -1.00 -0.25 0.00 -0.40 -1.16 0.00 0.00 179.01 176.21 2k46 n ASP 57 N -5.22 0.08 -0.10 1.42 5.68 -0.83 -1.53 116.55 116.05 2k46 n ASP 57 Ca -0.10 0.52 -0.10 0.00 -0.50 0.00 0.00 54.79 54.61 2k46 n ASP 57 Cb 0.29 -0.54 -0.03 0.00 -1.14 0.00 0.00 41.12 39.71 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2k46 h GLN 58 N 0.00 0.50 0.24 0.11 4.15 0.35 0.59 115.11 121.05 2k46 h GLN 58 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2k46 h GLN 58 Cb 0.29 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2k46 h GLN 58 CO 0.00 0.56 -0.24 0.28 -1.93 0.00 0.00 178.83 177.50 2k46 h VAL 59 N 0.35 0.48 0.00 2.39 2.07 -1.08 0.49 116.25 120.95 2k46 h VAL 59 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k46 h VAL 59 Cb 0.28 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2k46 h VAL 59 CO 0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 2k46 n LEU 60 N -5.37 0.36 -0.44 2.57 7.94 -1.10 -0.82 117.00 120.15 2k46 n LEU 60 Ca -0.08 0.63 0.07 0.00 -1.11 0.00 0.00 56.01 55.51 2k46 n LEU 60 Cb 0.27 -0.62 0.03 0.00 0.53 0.00 0.00 43.42 43.63 2k46 n LEU 60 CO 0.29 -0.61 0.37 -1.22 -1.11 0.00 0.00 177.39 175.11 2k46 n TYR 61 N -1.94 0.00 0.00 1.96 4.02 0.18 -4.56 117.16 116.83 2k46 n TYR 61 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2k46 n TYR 61 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N 0.36 0.00 0.00 -0.72 7.27 0.16 -4.68 117.38 119.77 2k46 n GLN 62 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2k46 n GLN 62 Cb 0.31 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.96 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 0.00 0.00 1.69 -2.24 -1.14 -4.51 114.28 108.08 2k46 n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k46 n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k46 n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k46 n GLU 64 N -0.17 0.00 -1.88 -0.78 0.28 -1.05 -4.60 120.64 112.45 2k46 n GLU 64 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 2k46 n GLU 64 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 2k46 n GLU 64 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2k46 n ARG 65 N 0.00 1.54 -3.63 3.44 0.63 -1.20 -4.18 116.66 113.26 2k46 n ARG 65 Ca 0.00 -0.35 -0.11 0.00 -0.92 0.00 0.00 57.85 56.47 2k46 n ARG 65 Cb 0.00 0.05 -0.07 0.00 0.45 0.00 0.00 32.46 32.89 2k46 n ARG 65 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2k46 s TYR 66 N -0.52 -0.72 0.00 -0.14 6.14 -1.26 -4.85 117.35 115.99 2k46 s TYR 66 Ca 0.02 1.68 0.00 0.00 0.64 0.00 0.00 57.07 59.41 2k46 s TYR 66 Cb -0.00 0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.73 2k46 s TYR 66 CO 0.01 -0.35 0.00 -1.71 0.64 0.00 0.00 175.55 174.15 2k46 n ASN 67 N 2.82 0.00 0.00 4.32 2.85 -1.26 -5.07 115.26 118.92 2k46 n ASN 67 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2k46 n ASN 67 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 2k46 n ASN 67 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2k46 n GLU 68 N -0.75 0.00 -3.60 1.20 2.13 -1.26 -5.16 120.64 113.20 2k46 n GLU 68 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2k46 n GLU 68 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2k46 s ASP 69 N 0.53 -0.58 -0.35 4.31 1.47 -1.26 -4.90 116.67 115.89 2k46 s ASP 69 Ca 0.00 0.98 -0.18 0.00 1.18 0.00 0.00 52.55 54.53 2k46 s ASP 69 Cb 0.00 0.94 0.03 0.00 -0.34 0.00 0.00 42.92 43.55 2k46 s ASP 69 CO 0.00 -0.30 0.42 -0.24 0.68 0.00 0.00 175.17 175.73 2k46 n SER 70 N 1.93 -6.98 -3.75 2.11 2.88 -1.25 -5.03 113.62 103.53 2k46 n SER 70 Ca -0.14 0.46 -0.13 0.00 -1.33 0.00 0.00 58.87 57.73 2k46 n SER 70 Cb 0.56 -3.59 -0.08 0.00 -0.75 0.00 0.00 64.21 60.35 2k46 n SER 70 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k46 s PHE 71 N -1.81 -0.18 0.00 0.66 -0.71 -1.12 -4.97 117.98 109.85 2k46 s PHE 71 Ca 0.21 0.21 0.00 0.00 -1.04 0.00 0.00 56.93 56.30 2k46 s PHE 71 Cb -0.04 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 2k46 s PHE 71 CO 0.68 -0.44 0.00 0.41 -1.34 0.00 0.00 175.22 174.53 2k46 n GLY 72 N 1.02 1.30 4.00 1.99 0.00 -1.26 -2.72 105.19 109.52 2k46 n GLY 72 Ca -0.20 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -5.57 1.58 -0.08 1.61 1.51 -0.84 -4.77 117.35 110.79 2k46 s TYR 73 Ca 0.00 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.33 2k46 s TYR 73 Cb 0.00 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2k46 s TYR 73 CO 0.00 -0.94 -0.03 0.16 -1.11 0.00 0.00 175.55 173.63 2k46 s ASP 74 N -4.55 1.70 -0.64 2.29 -4.77 -1.26 -2.74 116.67 106.70 2k46 s ASP 74 Ca 0.55 -0.15 -0.04 0.00 -3.30 0.00 0.00 52.55 49.61 2k46 s ASP 74 Cb -0.05 -0.56 0.17 0.00 -1.09 0.00 0.00 42.92 41.39 2k46 s ASP 74 CO 0.35 -0.16 0.47 -0.63 0.70 0.00 0.00 175.17 175.90 2k46 s ILE 75 N 1.80 3.93 0.40 2.11 1.09 0.27 -4.97 121.20 125.84 2k46 s ILE 75 Ca 0.03 -2.88 -0.27 0.00 -1.10 0.00 0.00 60.65 56.43 2k46 s ILE 75 Cb -0.13 -3.54 -0.10 0.00 -1.06 0.00 0.00 42.46 37.63 2k46 s ILE 75 CO -0.06 -0.89 1.43 -2.84 -0.10 0.00 0.00 174.94 172.48 2k46 s PRO 76 N -0.01 3.97 0.08 2.79 0.02 -1.26 -0.85 135.00 139.73 2k46 s PRO 76 Ca 0.17 2.44 0.04 0.00 0.02 0.00 0.00 61.00 63.67 2k46 s PRO 76 Cb -0.19 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 2k46 s PRO 76 CO -0.04 -0.60 -0.12 0.42 -0.33 0.00 0.00 177.00 176.33 2k46 s ILE 77 N -1.17 0.96 0.00 2.83 1.01 -1.25 -4.90 121.20 118.69 2k46 s ILE 77 Ca 0.56 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2k46 s ILE 77 Cb -0.44 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2k46 s ILE 77 CO 0.58 -0.37 0.10 2.29 0.00 0.00 0.00 174.94 177.55 2k46 n LYS 78 N 1.05 0.00 -4.54 2.79 2.85 -1.26 -4.88 118.16 114.17 2k46 n LYS 78 Ca -0.20 -0.10 -0.26 0.00 -1.05 0.00 0.00 58.31 56.71 2k46 n LYS 78 Cb 0.55 -0.38 -0.09 0.00 -0.65 0.00 0.00 35.03 34.46 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2k46 s GLU 79 N 0.00 1.89 0.29 -1.58 0.41 -1.26 -5.17 118.70 113.28 2k46 s GLU 79 Ca 0.00 -2.13 0.02 0.00 -0.41 0.00 0.00 54.97 52.46 2k46 s GLU 79 Cb 0.00 -0.89 -0.06 0.00 -1.78 0.00 0.00 34.13 31.41 2k46 s GLU 79 CO 0.00 -0.35 0.08 -1.21 -0.49 0.00 0.00 175.26 173.29 2k46 s GLU 80 N -3.79 1.53 0.00 1.61 8.01 -1.26 -5.01 118.70 119.79 2k46 s GLU 80 Ca 0.25 -1.84 0.00 0.00 0.01 0.00 0.00 54.97 53.39 2k46 s GLU 80 Cb 0.05 -0.52 0.00 0.00 -4.31 0.00 0.00 34.13 29.35 2k46 s GLU 80 CO 0.13 -0.26 0.00 0.41 0.01 0.00 0.00 175.26 175.55 2k46 n GLY 81 N -0.57 0.79 3.48 -1.39 0.00 -0.43 -4.84 105.19 102.23 2k46 n GLY 81 Ca -0.01 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.76 3.10 -0.20 1.61 2.02 -1.13 -1.53 118.70 120.82 2k46 s GLU 82 Ca 0.00 -0.76 -0.14 0.00 0.02 0.00 0.00 54.97 54.09 2k46 s GLU 82 Cb 0.00 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2k46 s GLU 82 CO 0.00 -0.89 0.32 0.71 0.02 0.00 0.00 175.26 175.42 2k46 s TYR 83 N 2.19 3.38 -0.29 1.61 1.51 -0.48 -0.03 117.35 125.24 2k46 s TYR 83 Ca 0.13 0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 56.67 2k46 s TYR 83 Cb -0.17 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 39.29 2k46 s TYR 83 CO 0.14 0.07 0.01 0.08 -1.11 0.00 0.00 175.55 174.74 2k46 s VAL 84 N 1.04 3.30 -0.57 0.71 1.01 -1.02 -0.12 120.40 124.75 2k46 s VAL 84 Ca 0.16 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 2k46 s VAL 84 Cb -0.14 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.53 2k46 s VAL 84 CO 0.06 0.04 0.84 -0.22 0.00 0.00 0.00 175.10 175.82 2k46 s LEU 85 N 1.36 4.53 -0.09 3.92 0.20 -1.10 -2.70 118.68 124.80 2k46 s LEU 85 Ca -0.01 -0.77 0.02 0.00 0.69 0.00 0.00 54.13 54.06 2k46 s LEU 85 Cb -0.18 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.99 2k46 s LEU 85 CO -0.01 -1.17 -0.15 0.54 -0.29 0.00 0.00 176.35 175.27 2k46 s VAL 86 N 3.49 2.97 0.04 1.68 0.11 -0.88 -1.94 120.40 125.87 2k46 s VAL 86 Ca 0.22 -0.72 -0.10 0.00 -2.93 0.00 0.00 61.98 58.45 2k46 s VAL 86 Cb -0.17 -2.20 0.01 0.00 -1.53 0.00 0.00 36.38 32.49 2k46 s VAL 86 CO 0.14 0.56 0.21 -1.48 -3.33 0.00 0.00 175.10 171.19 2k46 s LEU 87 N -0.13 1.31 -0.23 2.54 0.05 -1.09 -1.41 118.68 119.72 2k46 s LEU 87 Ca -0.01 -0.35 -0.04 0.00 0.05 0.00 0.00 54.13 53.77 2k46 s LEU 87 Cb -0.14 1.00 -0.00 0.00 -2.05 0.00 0.00 46.19 45.00 2k46 s LEU 87 CO 0.04 -0.57 -0.03 -0.75 -0.55 0.00 0.00 176.35 174.48 2k46 s LYS 88 N -2.60 3.31 -0.11 1.48 2.47 -1.18 -2.63 119.74 120.47 2k46 s LYS 88 Ca -0.05 -0.68 -0.03 0.00 -1.56 0.00 0.00 55.97 53.65 2k46 s LYS 88 Cb -0.01 -3.04 -0.03 0.00 -1.46 0.00 0.00 37.83 33.29 2k46 s LYS 88 CO -0.04 -0.24 0.03 -0.06 0.16 0.00 0.00 175.35 175.20 2k46 s PHE 89 N 1.47 3.22 0.03 4.03 0.08 -0.89 -0.92 117.98 125.00 2k46 s PHE 89 Ca 0.05 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.25 2k46 s PHE 89 Cb -0.15 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 2k46 s PHE 89 CO -0.03 0.42 0.05 0.00 -0.10 0.00 0.00 175.22 175.57 2k46 s ALA 90 N -0.62 -0.00 -0.29 5.36 0.00 -1.15 -1.77 121.76 123.27 2k46 s ALA 90 Ca 0.11 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 2k46 s ALA 90 Cb -0.12 0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.35 2k46 s ALA 90 CO 0.02 -0.25 1.04 -2.00 0.00 0.00 0.00 175.76 174.56 2k46 s GLU 91 N -2.15 0.31 -0.43 0.00 2.12 -1.26 -2.62 118.70 114.68 2k46 s GLU 91 Ca -0.09 0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.83 2k46 s GLU 91 Cb -0.04 0.07 0.17 0.00 0.26 0.00 0.00 34.13 34.59 2k46 s GLU 91 CO -0.03 -0.07 0.51 0.14 -0.54 0.00 0.00 175.26 175.28 2k46 s VAL 92 N 1.24 -0.49 0.00 3.70 -7.23 -1.26 -4.77 120.40 111.60 2k46 s VAL 92 Ca -0.08 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 2k46 s VAL 92 Cb -0.03 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.41 2k46 s VAL 92 CO -0.14 -0.47 0.02 0.00 -0.31 0.00 0.00 175.10 174.21 2k46 n TYR 93 N 3.60 0.00 0.00 2.82 9.36 -1.26 -4.98 117.16 126.70 2k46 n TYR 93 Ca 0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.39 2k46 n TYR 93 Cb 0.51 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2k46 n PHE 94 N 0.00 -0.08 -2.91 2.98 3.72 -1.26 -5.11 117.46 114.80 2k46 n PHE 94 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 2k46 n PHE 94 Cb 0.41 0.38 0.01 0.00 -0.94 0.00 0.00 39.48 39.35 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 n ALA 95 N -2.26 -2.96 -3.64 4.37 0.00 -1.26 -5.06 120.51 109.70 2k46 n ALA 95 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 53.44 54.46 2k46 n ALA 95 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 15.80 2k46 n ALA 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k46 s GLN 96 N -2.56 0.28 0.33 0.00 0.74 -1.26 -5.18 119.66 112.01 2k46 s GLN 96 Ca 0.26 0.32 0.04 0.00 0.05 0.00 0.00 55.36 56.02 2k46 s GLN 96 Cb -0.06 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.16 2k46 s GLN 96 CO 0.78 -0.04 0.49 -1.54 -0.55 0.00 0.00 175.29 174.43 2k46 s SER 97 N 0.06 6.12 0.50 6.67 1.04 -1.26 -4.76 113.70 122.07 2k46 s SER 97 Ca 0.05 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2k46 s SER 97 Cb -0.05 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2k46 s SER 97 CO -0.11 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.78 2k46 n GLN 98 N -1.67 -2.82 0.00 4.02 3.00 -1.26 -4.61 117.38 114.04 2k46 n GLN 98 Ca -0.04 2.29 0.00 0.00 -0.01 0.00 0.00 57.00 59.24 2k46 n GLN 98 Cb 0.57 -3.28 0.00 0.00 0.00 0.00 0.00 30.24 27.53 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2k46 n GLN 99 N -3.80 0.00 -2.90 -1.09 7.27 -1.26 -4.69 117.38 110.91 2k46 n GLN 99 Ca -0.06 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.65 2k46 n GLN 99 Cb 0.52 -0.84 -0.01 0.00 2.41 0.00 0.00 30.24 32.32 2k46 n GLN 99 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2k46 n LYS 100 N 0.00 4.25 -4.14 3.69 4.76 -1.26 -4.79 118.16 120.67 2k46 n LYS 100 Ca 0.00 -4.71 -0.29 0.00 -2.87 0.00 0.00 58.31 50.43 2k46 n LYS 100 Cb 0.00 -2.38 -0.08 0.00 -1.84 0.00 0.00 35.03 30.73 2k46 n LYS 100 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2k46 s VAL 101 N -3.87 3.97 0.51 -0.18 -7.23 -1.26 -4.57 120.40 107.77 2k46 s VAL 101 Ca 0.41 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 2k46 s VAL 101 Cb 0.19 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2k46 s VAL 101 CO -0.07 0.08 0.06 -0.36 -0.31 0.00 0.00 175.10 174.49 2k46 s PHE 102 N -1.38 1.84 -0.03 2.82 0.08 -0.90 -3.74 117.98 116.68 2k46 s PHE 102 Ca 0.26 -0.94 0.04 0.00 0.12 0.00 0.00 56.93 56.42 2k46 s PHE 102 Cb -0.11 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2k46 s PHE 102 CO 0.18 0.14 -0.15 0.34 -0.10 0.00 0.00 175.22 175.63 2k46 s ASP 103 N -3.93 1.89 -0.06 1.36 2.15 -1.12 0.40 116.67 117.37 2k46 s ASP 103 Ca 0.10 -0.30 0.01 0.00 0.43 0.00 0.00 52.55 52.78 2k46 s ASP 103 Cb 0.01 -0.37 0.02 0.00 -0.30 0.00 0.00 42.92 42.29 2k46 s ASP 103 CO 0.05 0.16 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.48 2k46 s VAL 104 N -0.14 0.58 0.00 1.11 1.01 -0.32 -2.06 120.40 120.57 2k46 s VAL 104 Ca 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2k46 s VAL 104 Cb -0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2k46 s VAL 104 CO 0.01 0.25 -0.15 0.00 0.00 0.00 0.00 175.10 175.20 2k46 s ARG 105 N 1.17 1.19 -0.21 2.72 1.70 -0.96 -2.53 118.95 122.03 2k46 s ARG 105 Ca -0.07 -0.62 -0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2k46 s ARG 105 Cb -0.14 -1.17 0.01 0.00 -0.57 0.00 0.00 34.95 33.08 2k46 s ARG 105 CO -0.01 0.32 -0.13 0.14 -1.08 0.00 0.00 175.30 174.53 2k46 s VAL 106 N -0.48 2.57 -1.69 4.99 -7.23 0.43 -2.38 120.40 116.62 2k46 s VAL 106 Ca 0.05 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2k46 s VAL 106 Cb -0.06 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2k46 s VAL 106 CO -0.00 0.43 0.00 -3.20 -0.31 0.00 0.00 175.10 172.01 2k46 n ASN 107 N 4.67 -5.45 0.00 4.85 2.85 0.20 -0.23 115.26 122.14 2k46 n ASN 107 Ca -0.19 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 2k46 n ASN 107 Cb 0.49 -4.52 0.00 0.00 1.24 0.00 0.00 39.78 36.99 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k46 n GLY 108 N -0.96 0.78 3.40 8.20 0.00 -1.26 -4.85 105.19 110.50 2k46 n GLY 108 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -3.11 3.25 0.19 1.61 3.76 0.68 -5.02 115.29 116.66 2k46 s HIS 109 Ca 0.00 -0.88 -0.30 0.00 -0.15 0.00 0.00 55.06 53.73 2k46 s HIS 109 Cb 0.00 -2.60 -0.09 0.00 1.11 0.00 0.00 32.58 31.00 2k46 s HIS 109 CO 0.00 -0.66 1.36 0.95 -0.85 0.00 0.00 174.74 175.54 2k46 s THR 110 N 1.60 3.10 0.00 1.30 -4.23 -1.26 -0.42 115.64 115.72 2k46 s THR 110 Ca 0.03 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2k46 s THR 110 Cb -0.20 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2k46 s THR 110 CO 0.07 0.12 0.00 0.52 -0.54 0.00 0.00 174.62 174.79 2k46 n VAL 111 N 2.90 0.00 -3.66 2.29 0.31 -1.05 -4.94 118.33 114.19 2k46 n VAL 111 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.11 2k46 n VAL 111 Cb 0.42 -0.63 -0.13 0.00 -0.91 0.00 0.00 33.84 32.59 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -1.69 1.06 -0.92 2.52 1.01 -1.17 -5.03 120.40 116.17 2k46 s VAL 112 Ca 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 61.98 59.73 2k46 s VAL 112 Cb 0.00 -1.75 0.24 0.00 0.00 0.00 0.00 36.38 34.87 2k46 s VAL 112 CO 0.00 -0.89 0.92 2.29 0.00 0.00 0.00 175.10 177.42 2k46 n LYS 113 N 3.80 3.00 0.00 2.72 2.85 -1.26 -1.18 118.16 128.09 2k46 n LYS 113 Ca 0.08 -4.52 0.00 0.00 -1.05 0.00 0.00 58.31 52.83 2k46 n LYS 113 Cb 0.36 -2.42 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k46 n ASP 114 N 2.00 0.00 -4.56 -5.58 5.68 0.16 -4.93 116.55 109.33 2k46 n ASP 114 Ca 0.24 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.27 2k46 n ASP 114 Cb 0.37 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.30 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2k46 s LEU 115 N 0.00 3.14 -0.95 -2.12 0.20 0.01 -4.44 118.68 114.52 2k46 s LEU 115 Ca 0.00 0.27 -0.09 0.00 0.69 0.00 0.00 54.13 55.01 2k46 s LEU 115 Cb 0.00 -2.53 0.24 0.00 -0.43 0.00 0.00 46.19 43.47 2k46 s LEU 115 CO 0.00 -3.18 0.89 1.51 -0.29 0.00 0.00 176.35 175.28 2k46 s ASP 116 N 10.41 6.74 0.29 3.68 -4.77 -1.26 -2.13 116.67 129.63 2k46 s ASP 116 Ca 0.87 -3.28 0.04 0.00 -3.30 0.00 0.00 52.55 46.87 2k46 s ASP 116 Cb -0.13 -2.13 0.69 0.00 -1.09 0.00 0.00 42.92 40.27 2k46 s ASP 116 CO 0.14 -0.36 1.74 0.40 0.70 0.00 0.00 175.17 177.79 2k46 h ILE 117 N 4.21 0.63 -0.32 2.11 2.04 -1.89 0.89 117.51 125.19 2k46 h ILE 117 Ca 0.14 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2k46 h ILE 117 Cb 0.92 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2k46 h ILE 117 CO 0.88 0.11 0.10 0.15 0.00 0.00 0.00 178.15 179.39 2k46 h PHE 118 N 0.60 0.52 0.00 1.37 3.57 -1.86 -2.73 116.94 118.42 2k46 h PHE 118 Ca 0.55 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.88 2k46 h PHE 118 Cb 0.91 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2k46 h PHE 118 CO -0.06 0.52 -0.53 0.22 -2.23 0.00 0.00 178.31 176.22 2k46 h ASP 119 N 0.37 0.00 0.50 0.41 3.58 -1.45 0.12 116.42 119.95 2k46 h ASP 119 Ca 0.10 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2k46 h ASP 119 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2k46 h ASP 119 CO -0.00 0.53 -0.24 0.03 -2.88 0.00 0.00 179.24 176.68 2k46 h ARG 120 N 0.00 -0.65 0.05 0.28 2.47 -0.72 -3.38 114.38 112.43 2k46 h ARG 120 Ca -0.01 0.04 -0.36 0.00 -1.26 0.00 0.00 59.98 58.40 2k46 h ARG 120 Cb 1.02 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.44 2k46 h ARG 120 CO 0.07 -0.37 -2.14 1.55 0.56 0.00 0.00 179.97 179.64 2k46 n VAL 121 N -5.24 1.62 0.00 2.04 3.14 -1.04 -5.09 118.33 113.76 2k46 n VAL 121 Ca -0.10 -0.68 0.00 0.00 -2.96 0.00 0.00 64.34 60.60 2k46 n VAL 121 Cb 0.30 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k46 n GLY 122 N 1.97 0.80 3.42 7.55 0.00 0.43 -5.00 105.19 114.36 2k46 n GLY 122 Ca -0.34 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 2k46 n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k46 s HIS 123 N 0.00 3.20 0.00 1.61 2.46 -1.26 -4.54 115.29 116.75 2k46 s HIS 123 Ca 0.00 -0.71 0.00 0.00 0.47 0.00 0.00 55.06 54.82 2k46 s HIS 123 Cb 0.00 -2.37 0.00 0.00 -0.13 0.00 0.00 32.58 30.08 2k46 s HIS 123 CO 0.00 -0.52 0.00 -1.13 -2.47 0.00 0.00 174.74 170.62 2k46 n SER 124 N 4.98 0.00 -0.85 9.88 3.41 -1.26 -4.97 113.62 124.81 2k46 n SER 124 Ca -0.13 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.50 2k46 n SER 124 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k46 n THR 125 N 0.00 0.00 -4.21 6.66 -2.24 -1.26 -4.83 114.28 108.39 2k46 n THR 125 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2k46 n THR 125 Cb 0.00 -0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.81 3.47 0.11 6.98 0.00 -1.26 -4.78 121.76 124.45 2k46 s ALA 126 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2k46 s ALA 126 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2k46 s ALA 126 CO 0.00 0.58 0.17 -1.58 0.00 0.00 0.00 175.76 174.93 2k46 s HIS 127 N -0.87 3.33 -0.07 0.00 5.04 -0.73 -4.97 115.29 117.02 2k46 s HIS 127 Ca 0.13 0.11 -0.04 0.00 -1.54 0.00 0.00 55.06 53.73 2k46 s HIS 127 Cb -0.12 -1.65 0.03 0.00 0.04 0.00 0.00 32.58 30.89 2k46 s HIS 127 CO 0.03 0.54 0.16 0.16 -2.34 0.00 0.00 174.74 173.29 2k46 s ASP 128 N -2.74 -0.15 -0.08 9.88 -4.77 -1.26 -2.08 116.67 115.47 2k46 s ASP 128 Ca 0.32 0.34 0.02 0.00 -3.30 0.00 0.00 52.55 49.93 2k46 s ASP 128 Cb -0.12 0.26 0.01 0.00 -1.09 0.00 0.00 42.92 41.98 2k46 s ASP 128 CO 0.25 -0.12 -0.13 -1.61 0.70 0.00 0.00 175.17 174.26 2k46 s GLU 129 N 0.87 1.86 -0.18 2.11 2.02 -1.08 -5.02 118.70 119.28 2k46 s GLU 129 Ca -0.07 -0.45 -0.00 0.00 0.02 0.00 0.00 54.97 54.47 2k46 s GLU 129 Cb -0.08 -1.56 0.01 0.00 0.10 0.00 0.00 34.13 32.59 2k46 s GLU 129 CO -0.05 -0.00 -0.15 0.42 0.02 0.00 0.00 175.26 175.50 2k46 s ILE 130 N 0.78 2.53 -0.48 -1.63 1.01 -1.26 -2.68 121.20 119.47 2k46 s ILE 130 Ca -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2k46 s ILE 130 Cb -0.16 -2.08 0.13 0.00 0.01 0.00 0.00 42.46 40.36 2k46 s ILE 130 CO 0.02 0.51 0.25 -0.63 0.00 0.00 0.00 174.94 175.09 2k46 s ILE 131 N 1.15 1.99 0.46 2.92 -1.09 -0.82 -5.01 121.20 120.80 2k46 s ILE 131 Ca 0.01 -2.96 -0.25 0.00 -2.23 0.00 0.00 60.65 55.23 2k46 s ILE 131 Cb -0.14 -2.39 -0.08 0.00 -1.58 0.00 0.00 42.46 38.27 2k46 s ILE 131 CO -0.06 -0.85 1.42 -2.84 -1.23 0.00 0.00 174.94 171.38 2k46 s PRO 132 N 0.01 3.63 0.09 2.79 0.02 -1.26 -2.71 135.00 137.56 2k46 s PRO 132 Ca 0.18 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.63 2k46 s PRO 132 Cb -0.25 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 2k46 s PRO 132 CO -0.00 -0.86 -0.08 0.42 -0.33 0.00 0.00 177.00 176.15 2k46 s ILE 133 N -1.21 0.74 -0.25 2.83 1.01 0.83 -4.46 121.20 120.70 2k46 s ILE 133 Ca 0.62 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 2k46 s ILE 133 Cb -0.44 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 40.74 2k46 s ILE 133 CO 0.56 -0.68 0.03 -0.94 0.00 0.00 0.00 174.94 173.91 2k46 s SER 134 N -2.56 3.61 -0.22 3.58 1.04 -1.07 -1.38 113.70 116.70 2k46 s SER 134 Ca 0.05 -1.24 -0.06 0.00 0.48 0.00 0.00 55.95 55.19 2k46 s SER 134 Cb -0.00 -0.90 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 2k46 s SER 134 CO -0.02 -0.32 0.02 -0.63 0.98 0.00 0.00 173.24 173.27 2k46 s ILE 135 N 1.61 4.08 -0.12 -1.02 1.01 -0.58 -1.82 121.20 124.35 2k46 s ILE 135 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2k46 s ILE 135 Cb -0.18 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.46 2k46 s ILE 135 CO -0.13 0.40 0.34 -0.54 0.00 0.00 0.00 174.94 175.01 2k46 s LYS 136 N 1.21 0.42 -1.80 2.79 1.02 -0.80 -1.31 119.74 121.26 2k46 s LYS 136 Ca 0.04 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2k46 s LYS 136 Cb -0.15 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2k46 s LYS 136 CO 0.02 -0.06 0.00 1.63 -0.92 0.00 0.00 175.35 176.02 2k46 n LYS 137 N 2.80 -1.48 -1.85 1.68 5.02 -1.26 -1.72 118.16 121.35 2k46 n LYS 137 Ca -0.13 1.03 -0.03 0.00 -2.02 0.00 0.00 58.31 57.15 2k46 n LYS 137 Cb 0.58 -5.52 -0.00 0.00 -0.02 0.00 0.00 35.03 30.06 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k46 n GLY 138 N -0.87 0.32 3.28 0.72 0.00 -1.26 -5.05 105.19 102.33 2k46 n GLY 138 Ca -0.22 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -3.75 1.11 -0.15 1.61 1.02 -0.70 -2.78 119.74 116.11 2k46 s LYS 139 Ca 0.00 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 2k46 s LYS 139 Cb 0.00 -1.26 -0.02 0.00 -0.52 0.00 0.00 37.83 36.03 2k46 s LYS 139 CO 0.00 0.28 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.46 2k46 s LEU 140 N -2.11 3.02 -0.28 3.17 0.20 -0.53 -1.91 118.68 120.22 2k46 s LEU 140 Ca 0.08 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.68 2k46 s LEU 140 Cb -0.09 -1.71 0.06 0.00 -0.43 0.00 0.00 46.19 44.02 2k46 s LEU 140 CO 0.04 0.16 -0.05 -0.44 -0.29 0.00 0.00 176.35 175.78 2k46 s SER 141 N 0.40 4.69 -0.41 3.68 0.01 -0.76 -1.43 113.70 119.88 2k46 s SER 141 Ca -0.07 -1.38 -0.10 0.00 1.31 0.00 0.00 55.95 55.72 2k46 s SER 141 Cb -0.15 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.51 2k46 s SER 141 CO 0.04 -0.24 0.26 0.54 0.41 0.00 0.00 173.24 174.25 2k46 s VAL 142 N 1.17 4.33 0.00 3.43 0.11 -0.40 -2.59 120.40 126.44 2k46 s VAL 142 Ca -0.06 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2k46 s VAL 142 Cb -0.20 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2k46 s VAL 142 CO -0.03 -0.46 0.00 0.00 -3.33 0.00 0.00 175.10 171.28 2k46 n GLN 143 N 4.95 0.00 -0.62 1.54 3.00 -1.26 -1.05 117.38 123.93 2k46 n GLN 143 Ca -0.11 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2k46 n GLN 143 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.78 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k46 n GLY 144 N 0.00 3.15 2.95 1.08 0.00 -1.26 -5.04 105.19 106.07 2k46 n GLY 144 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 2k46 n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 145 N -1.72 0.74 -0.10 1.61 2.56 -0.22 -5.14 118.70 116.43 2k46 s GLU 145 Ca 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 54.97 55.01 2k46 s GLU 145 Cb 0.27 -0.72 -0.03 0.00 2.00 0.00 0.00 34.13 35.64 2k46 s GLU 145 CO -0.05 0.05 0.03 0.54 -0.56 0.00 0.00 175.26 175.28 2k46 s VAL 146 N 0.33 4.59 -0.29 3.70 0.11 -1.26 -1.28 120.40 126.30 2k46 s VAL 146 Ca -0.04 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.72 2k46 s VAL 146 Cb -0.09 -2.95 0.10 0.00 -1.53 0.00 0.00 36.38 31.92 2k46 s VAL 146 CO 0.00 0.61 0.72 -0.55 -3.33 0.00 0.00 175.10 172.55 2k46 s SER 147 N -0.89 -0.93 0.43 3.54 0.15 -0.52 -5.02 113.70 110.46 2k46 s SER 147 Ca 0.13 1.43 -0.24 0.00 0.70 0.00 0.00 55.95 57.97 2k46 s SER 147 Cb -0.12 1.55 -0.10 0.00 -1.71 0.00 0.00 66.02 65.64 2k46 s SER 147 CO 0.03 -0.22 1.06 0.35 1.20 0.00 0.00 173.24 175.66 2k46 n THR 148 N 4.48 2.53 -2.65 6.45 -2.24 -1.26 -1.46 114.28 120.13 2k46 n THR 148 Ca -0.18 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 2k46 n THR 148 Cb 0.57 -1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2k46 s PHE 149 N -1.27 3.44 -0.54 4.78 5.36 -1.12 -4.63 117.98 124.02 2k46 s PHE 149 Ca 0.63 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 58.13 2k46 s PHE 149 Cb -0.54 -3.23 0.14 0.00 -0.34 0.00 0.00 43.02 39.04 2k46 s PHE 149 CO 0.57 -0.42 0.31 -0.08 -1.46 0.00 0.00 175.22 174.14 2k46 s THR 150 N 2.17 3.13 0.00 0.12 -1.32 -1.26 -4.88 115.64 113.59 2k46 s THR 150 Ca 0.49 -2.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.04 2k46 s THR 150 Cb -0.19 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 2k46 s THR 150 CO 0.17 -0.80 0.00 0.61 -2.21 0.00 0.00 174.62 172.39 2k46 n GLY 151 N 3.55 0.10 3.44 6.08 0.00 -1.26 -4.80 105.19 112.30 2k46 n GLY 151 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k46 n GLY 151 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 152 N 0.00 1.21 -0.22 1.61 2.36 -1.26 -3.81 119.74 119.62 2k46 s LYS 152 Ca 0.00 -0.34 -0.14 0.00 -2.55 0.00 0.00 55.97 52.93 2k46 s LYS 152 Cb 0.00 0.56 -0.04 0.00 -1.05 0.00 0.00 37.83 37.30 2k46 s LYS 152 CO 0.00 -0.51 0.32 -1.17 1.55 0.00 0.00 175.35 175.55 2k46 s LEU 153 N -2.48 4.13 -0.04 5.43 0.20 -0.03 -4.87 118.68 121.02 2k46 s LEU 153 Ca -0.01 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.19 2k46 s LEU 153 Cb -0.01 -2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 43.33 2k46 s LEU 153 CO -0.09 -0.04 -0.01 -0.55 -0.29 0.00 0.00 176.35 175.36 2k46 s SER 154 N 1.09 5.06 -0.34 3.68 0.15 -1.26 -0.56 113.70 121.52 2k46 s SER 154 Ca 0.15 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.84 2k46 s SER 154 Cb -0.14 -1.34 0.11 0.00 -1.71 0.00 0.00 66.02 62.93 2k46 s SER 154 CO 0.07 0.33 0.12 -0.69 1.20 0.00 0.00 173.24 174.27 2k46 s VAL 155 N -0.97 1.20 -0.15 4.45 1.01 -1.11 0.58 120.40 125.42 2k46 s VAL 155 Ca 0.16 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.33 2k46 s VAL 155 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2k46 s VAL 155 CO 0.06 -0.71 -0.10 -1.61 0.00 0.00 0.00 175.10 172.74 2k46 s GLU 156 N 1.23 3.45 -0.09 2.72 0.41 -1.00 -2.00 118.70 123.43 2k46 s GLU 156 Ca 0.12 -0.64 0.03 0.00 -0.41 0.00 0.00 54.97 54.06 2k46 s GLU 156 Cb -0.19 -2.74 -0.01 0.00 -1.78 0.00 0.00 34.13 29.41 2k46 s GLU 156 CO -0.17 0.18 -0.17 -0.59 -0.49 0.00 0.00 175.26 174.02 2k46 s PHE 157 N 0.47 2.67 -0.03 1.61 -0.12 -1.10 -2.28 117.98 119.20 2k46 s PHE 157 Ca -0.07 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.22 2k46 s PHE 157 Cb -0.15 -1.72 -0.03 0.00 -0.63 0.00 0.00 43.02 40.48 2k46 s PHE 157 CO 0.04 -0.14 -0.03 0.08 -0.05 0.00 0.00 175.22 175.12 2k46 s VAL 158 N -0.02 4.00 0.57 -2.49 1.01 -0.87 -2.80 120.40 119.80 2k46 s VAL 158 Ca -0.05 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 2k46 s VAL 158 Cb -0.14 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2k46 s VAL 158 CO 0.04 0.46 1.26 -1.59 0.00 0.00 0.00 175.10 175.28 2k46 s LYS 159 N -1.27 3.04 -0.00 2.72 -2.85 -1.26 -2.79 119.74 117.34 2k46 s LYS 159 Ca 0.17 1.98 0.09 0.00 -1.00 0.00 0.00 55.97 57.20 2k46 s LYS 159 Cb -0.11 -2.07 -0.10 0.00 -2.06 0.00 0.00 37.83 33.50 2k46 s LYS 159 CO 0.07 -1.19 0.36 0.41 0.10 0.00 0.00 175.35 175.10 2k46 n GLY 160 N 0.64 0.16 2.03 0.59 0.00 -1.24 -4.85 105.19 102.51 2k46 n GLY 160 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.23 -2.10 0.06 1.61 9.36 -1.26 -4.77 117.16 118.84 2k46 n TYR 161 Ca 0.02 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.45 2k46 n TYR 161 Cb 0.14 0.93 0.00 0.00 -0.63 0.00 0.00 39.34 39.78 2k46 n TYR 161 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2k46 n TYR 162 N -2.67 -2.51 -2.62 2.98 4.19 -1.26 -5.10 117.16 110.17 2k46 n TYR 162 Ca 0.00 0.43 -0.43 0.00 3.31 0.00 0.00 57.90 61.21 2k46 n TYR 162 Cb 0.00 1.32 -0.02 0.00 0.49 0.00 0.00 39.34 41.13 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2k46 s ASP 163 N -1.58 6.97 1.42 2.98 1.11 -1.26 -4.91 116.67 121.39 2k46 s ASP 163 Ca 0.00 1.18 -0.21 0.00 0.18 0.00 0.00 52.55 53.70 2k46 s ASP 163 Cb 0.00 -2.54 0.33 0.00 1.07 0.00 0.00 42.92 41.78 2k46 s ASP 163 CO 0.00 -0.83 0.75 0.59 1.18 0.00 0.00 175.17 176.87 2k46 n ASN 164 N 6.74 -3.90 0.00 0.27 4.13 -1.26 -4.69 115.26 116.55 2k46 n ASN 164 Ca 0.12 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.62 2k46 n ASN 164 Cb 0.47 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2k46 n PRO 165 N -5.32 0.00 0.00 3.52 -0.02 -1.26 -4.80 135.00 127.12 2k46 n PRO 165 Ca 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2k46 n PRO 165 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2k46 n PRO 165 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k46 n LYS 166 N -1.15 0.00 -4.70 -0.52 3.00 -1.26 -4.48 118.16 109.05 2k46 n LYS 166 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 2k46 n LYS 166 Cb 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.17 2k46 n LYS 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2k46 s VAL 167 N 0.00 3.43 -0.09 3.15 -7.23 -1.08 -3.32 120.40 115.27 2k46 s VAL 167 Ca 0.00 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2k46 s VAL 167 Cb 0.00 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2k46 s VAL 167 CO 0.00 0.57 -0.05 0.00 -0.31 0.00 0.00 175.10 175.31 2k46 n ALA 169 N 4.74 5.78 -1.13 0.00 0.00 -0.10 -0.10 120.51 129.71 2k46 n ALA 169 Ca -0.14 -3.49 -0.42 0.00 0.00 0.00 0.00 53.44 49.39 2k46 n ALA 169 Cb 0.50 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.90 -0.39 -3.27 0.00 -0.00 0.15 -3.13 117.00 109.46 2k46 n LEU 170 Ca 0.55 0.89 -0.07 0.00 -0.00 0.00 0.00 56.01 57.39 2k46 n LEU 170 Cb 0.86 -0.72 -0.04 0.00 -0.00 0.00 0.00 43.42 43.51 2k46 n LEU 170 CO 0.63 -1.81 -0.03 0.12 -0.00 0.00 0.00 177.39 176.31 2k46 s PHE 171 N -0.30 -1.13 -0.17 1.96 5.36 -0.50 -0.52 117.98 122.68 2k46 s PHE 171 Ca 0.62 0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 56.64 2k46 s PHE 171 Cb -0.88 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 41.72 2k46 s PHE 171 CO 0.44 -1.05 0.05 -1.50 -1.46 0.00 0.00 175.22 171.70 2k46 s ILE 172 N 2.11 4.72 0.34 3.12 2.07 0.18 -2.06 121.20 131.68 2k46 s ILE 172 Ca 0.13 -0.06 0.08 0.00 -1.41 0.00 0.00 60.65 59.38 2k46 s ILE 172 Cb -0.11 -3.11 -0.07 0.00 0.13 0.00 0.00 42.46 39.31 2k46 s ILE 172 CO -0.17 0.49 -0.05 0.00 -1.91 0.00 0.00 174.94 173.30 2k46 s MET 173 N 0.17 1.77 0.13 3.50 0.23 -1.10 -2.76 119.30 121.24 2k46 s MET 173 Ca 0.04 -1.94 0.09 0.00 -1.03 0.00 0.00 55.69 52.85 2k46 s MET 173 Cb -0.12 -1.48 -0.04 0.00 -1.53 0.00 0.00 34.83 31.66 2k46 s MET 173 CO 0.01 0.04 -0.17 -1.59 -2.03 0.00 0.00 175.02 171.27 2k46 s LYS 174 N -3.69 1.81 0.00 3.16 -2.85 -1.04 -2.43 119.74 114.71 2k46 s LYS 174 Ca 0.33 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 2k46 s LYS 174 Cb 0.05 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2k46 s LYS 174 CO 0.16 0.47 0.00 0.41 0.10 0.00 0.00 175.35 176.49 2k46 n GLY 175 N 0.70 2.47 0.00 0.59 0.00 0.95 -4.83 105.19 105.08 2k46 n GLY 175 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 0.11 2.61 -2.24 0.10 -2.83 114.28 112.03 2k46 n THR 176 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2k46 n THR 176 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.67 0.00 6.98 0.00 -1.94 -3.32 119.26 121.66 2k46 h ALA 177 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k46 h ALA 177 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k46 h ALA 177 CO 0.00 0.51 0.00 -0.44 0.00 0.00 0.00 179.25 179.32 2k46 h ASP 178 N 0.00 0.00 0.21 0.00 5.19 -1.99 -1.12 116.42 118.70 2k46 h ASP 178 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2k46 h ASP 178 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2k46 h ASP 178 CO 0.04 0.00 -0.50 0.47 -3.12 0.00 0.00 179.24 176.13 2k46 n ASP 179 N -2.88 1.11 -0.31 6.45 8.00 -1.25 -4.45 116.55 123.23 2k46 n ASP 179 Ca -0.01 -0.89 0.10 0.00 0.71 0.00 0.00 54.79 54.70 2k46 n ASP 179 Cb 0.16 0.39 0.22 0.00 -0.02 0.00 0.00 41.12 41.87 2k46 n ASP 179 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2k46 h VAL 180 N 0.96 0.16 -1.89 2.53 2.07 -1.38 -3.42 116.25 115.29 2k46 h VAL 180 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k46 h VAL 180 Cb 0.56 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2k46 h VAL 180 CO 0.00 0.01 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2k46 n PRO 181 N -5.43 0.41 -4.01 1.57 -0.04 -1.26 -5.02 135.00 121.21 2k46 n PRO 181 Ca 0.19 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 2k46 n PRO 181 Cb 0.62 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.93 2k46 n PRO 181 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2k46 s MET 182 N -1.99 0.23 -0.12 0.54 1.75 -1.26 -4.70 119.30 113.75 2k46 s MET 182 Ca 0.00 -0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.34 2k46 s MET 182 Cb 0.00 -0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.40 2k46 s MET 182 CO 0.00 0.04 -0.03 -0.51 -0.65 0.00 0.00 175.02 173.87 2k46 s LEU 183 N 0.04 3.33 0.49 4.11 1.43 -1.26 -5.09 118.68 121.73 2k46 s LEU 183 Ca -0.00 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 2k46 s LEU 183 Cb -0.02 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2k46 s LEU 183 CO -0.00 0.26 0.91 0.00 0.23 0.00 0.00 176.35 177.75 2k46 n GLN 184 N 2.92 1.08 -2.05 1.70 6.02 -1.26 -4.75 117.38 121.04 2k46 n GLN 184 Ca -0.18 0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 2k46 n GLN 184 Cb 0.53 -2.01 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k46 s PRO 185 N -2.22 4.23 -0.03 -1.09 0.04 -1.26 -4.91 135.00 129.77 2k46 s PRO 185 Ca 0.67 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.91 2k46 s PRO 185 Cb -0.50 -3.62 0.01 0.00 0.04 0.00 0.00 34.50 30.43 2k46 s PRO 185 CO 0.54 -0.68 -0.06 -1.58 0.04 0.00 0.00 177.00 175.26 2k46 s HIS 186 N 2.67 0.70 0.00 0.56 2.46 -1.26 -5.02 115.29 115.41 2k46 s HIS 186 Ca 0.70 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 56.06 2k46 s HIS 186 Cb -0.36 -0.56 0.00 0.00 -0.13 0.00 0.00 32.58 31.53 2k46 s HIS 186 CO 0.30 -0.12 0.00 -0.35 -2.47 0.00 0.00 174.74 172.10 2k46 n PRO 187 N 3.58 0.00 0.00 2.88 -0.04 -1.26 -4.65 135.00 135.51 2k46 n PRO 187 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2k46 n PRO 187 Cb 0.53 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 1.86 0.06 3.85 0.55 0.00 -1.26 -4.87 105.19 105.37 2k46 n GLY 188 Ca 0.00 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2k46 n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k46 s LEU 189 N 0.00 4.44 0.00 0.99 1.02 -1.26 -5.28 118.68 118.59 2k46 s LEU 189 Ca 0.00 0.90 0.12 0.00 0.02 0.00 0.00 54.13 55.17 2k46 s LEU 189 Cb 0.00 -2.68 0.10 0.00 0.02 0.00 0.00 46.19 43.63 2k46 s LEU 189 CO 0.00 0.29 0.89 -1.84 0.02 0.00 0.00 176.35 175.70