#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 -0.63 -2.64 4.61 0.00 -1.26 -4.90 120.51 115.69 2k46 n ALA 2 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2k46 n ALA 2 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 2k46 n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2k46 s MET 3 N -4.86 3.31 0.19 0.00 -2.45 -1.26 -5.00 119.30 109.24 2k46 s MET 3 Ca 0.00 -0.20 0.07 0.00 -1.25 0.00 0.00 55.69 54.32 2k46 s MET 3 Cb 0.00 -4.10 -0.05 0.00 1.25 0.00 0.00 34.83 31.93 2k46 s MET 3 CO 0.00 -1.77 -0.14 -1.54 1.05 0.00 0.00 175.02 172.62 2k46 s SER 4 N 3.24 2.50 -0.34 1.11 1.04 -1.26 -5.08 113.70 114.92 2k46 s SER 4 Ca 0.34 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.81 2k46 s SER 4 Cb -0.11 -0.13 0.25 0.00 0.10 0.00 0.00 66.02 66.14 2k46 s SER 4 CO 0.19 -0.17 1.28 0.61 0.98 0.00 0.00 173.24 176.13 2k46 n GLY 5 N -0.26 -0.95 0.26 7.32 0.00 -1.26 -5.01 105.19 105.28 2k46 n GLY 5 Ca -0.09 0.49 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 1.94 0.62 -2.16 0.99 5.85 -1.90 -0.06 115.31 120.59 2k46 h LEU 6 Ca -0.37 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2k46 h LEU 6 Cb 1.22 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k46 h LEU 6 CO -0.05 0.42 0.29 0.00 -0.34 0.00 0.00 178.44 178.75 2k46 h ALA 7 N 1.31 1.46 0.00 1.25 0.00 -1.78 0.45 119.26 121.95 2k46 h ALA 7 Ca 0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2k46 h ALA 7 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k46 h ALA 7 CO -0.14 -0.33 -0.31 0.22 0.00 0.00 0.00 179.25 178.69 2k46 h ASP 8 N 0.00 0.00 0.24 0.00 3.58 -1.35 -3.28 116.42 115.61 2k46 h ASP 8 Ca 0.04 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 2k46 h ASP 8 Cb 0.61 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2k46 h ASP 8 CO -0.00 0.31 -1.86 0.29 -2.88 0.00 0.00 179.24 175.10 2k46 n LYS 9 N -3.21 0.65 -1.42 0.28 4.76 0.11 -4.98 118.16 114.35 2k46 n LYS 9 Ca 0.02 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 2k46 n LYS 9 Cb 0.63 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.52 1.55 0.00 -0.18 3.14 -0.95 -2.17 118.33 117.20 2k46 n VAL 10 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 2k46 n VAL 10 Cb 0.74 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 2k46 n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k46 n ILE 11 N -0.88 0.00 -3.55 1.55 3.06 -1.18 -4.81 119.36 113.55 2k46 n ILE 11 Ca 0.12 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.35 2k46 n ILE 11 Cb 0.39 -0.04 -0.05 0.00 0.54 0.00 0.00 39.64 40.48 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -2.50 0.00 0.00 176.55 174.91 2k46 s TRP 12 N -1.05 -0.85 -0.07 9.51 -0.00 -1.11 -5.09 118.94 120.27 2k46 s TRP 12 Ca 0.00 1.56 -0.08 0.00 -0.00 0.00 0.00 56.10 57.58 2k46 s TRP 12 Cb 0.00 0.51 0.02 0.00 -0.00 0.00 0.00 33.47 34.00 2k46 s TRP 12 CO 0.00 -0.42 0.21 0.00 -0.00 0.00 0.00 176.95 176.74 2k46 s ALA 13 N 2.14 -0.53 -0.12 5.86 0.00 -1.26 -1.03 121.76 126.83 2k46 s ALA 13 Ca -0.06 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 2k46 s ALA 13 Cb -0.07 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.83 2k46 s ALA 13 CO -0.17 -0.13 0.28 0.08 0.00 0.00 0.00 175.76 175.82 2k46 s VAL 14 N -0.18 -0.03 -0.69 0.00 1.01 0.10 -2.35 120.40 118.27 2k46 s VAL 14 Ca -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 2k46 s VAL 14 Cb -0.03 -0.42 0.18 0.00 0.00 0.00 0.00 36.38 36.11 2k46 s VAL 14 CO 0.01 0.05 0.53 0.21 0.00 0.00 0.00 175.10 175.90 2k46 s ASN 15 N 1.19 5.55 -0.56 3.32 3.84 -1.26 -0.34 114.94 126.68 2k46 s ASN 15 Ca -0.09 -2.91 -0.26 0.00 0.21 0.00 0.00 52.86 49.81 2k46 s ASN 15 Cb -0.09 -1.92 -0.09 0.00 -0.55 0.00 0.00 41.25 38.60 2k46 s ASN 15 CO -0.09 -0.39 2.44 0.00 -2.79 0.00 0.00 177.10 176.28 2k46 n ALA 16 N 3.46 0.71 0.00 1.71 0.00 0.58 -3.99 120.51 122.97 2k46 n ALA 16 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2k46 n ALA 16 Cb 0.39 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 6.11 -2.03 0.00 0.00 0.00 -1.26 -2.92 105.19 105.09 2k46 n GLY 17 Ca 0.40 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.17 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 0.81 3.11 -0.02 0.00 -1.26 -4.04 105.19 103.80 2k46 n GLY 18 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2k46 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k46 s GLU 19 N 0.00 0.46 0.00 1.61 1.03 -1.26 -4.35 118.70 116.18 2k46 s GLU 19 Ca 0.00 -0.30 0.00 0.00 0.03 0.00 0.00 54.97 54.70 2k46 s GLU 19 Cb 0.00 0.19 0.00 0.00 -0.80 0.00 0.00 34.13 33.52 2k46 s GLU 19 CO 0.00 -0.11 0.00 0.43 -1.33 0.00 0.00 175.26 174.25 2k46 n SER 20 N 1.66 0.00 -4.00 0.83 7.64 -1.25 -4.83 113.62 113.66 2k46 n SER 20 Ca -0.21 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.57 2k46 n SER 20 Cb 0.56 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.36 -0.35 1.43 2.46 -1.05 -4.91 115.29 113.23 2k46 s HIS 21 Ca 0.00 -0.54 -0.02 0.00 0.47 0.00 0.00 55.06 54.97 2k46 s HIS 21 Cb 0.00 -0.25 0.08 0.00 -0.13 0.00 0.00 32.58 32.28 2k46 s HIS 21 CO 0.00 -0.17 0.08 0.08 -2.47 0.00 0.00 174.74 172.26 2k46 s VAL 22 N -1.54 3.04 0.67 0.89 1.01 -1.26 -0.37 120.40 122.84 2k46 s VAL 22 Ca -0.14 -1.74 -0.15 0.00 0.00 0.00 0.00 61.98 59.95 2k46 s VAL 22 Cb -0.09 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2k46 s VAL 22 CO -0.01 -0.38 1.13 -0.62 0.00 0.00 0.00 175.10 175.21 2k46 s ASP 23 N 1.44 4.95 0.23 3.32 -1.08 0.51 -4.82 116.67 121.22 2k46 s ASP 23 Ca 0.02 2.07 -0.14 0.00 -0.52 0.00 0.00 52.55 53.98 2k46 s ASP 23 Cb -0.21 -2.56 0.27 0.00 -1.46 0.00 0.00 42.92 38.97 2k46 s ASP 23 CO -0.03 -1.74 1.59 -0.37 0.52 0.00 0.00 175.17 175.14 2k46 h VAL 24 N -0.01 0.19 0.00 1.11 -1.51 -1.95 1.03 116.25 115.12 2k46 h VAL 24 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2k46 h VAL 24 Cb 1.26 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2k46 h VAL 24 CO 0.53 0.00 0.09 0.45 -1.23 0.00 0.00 177.57 177.41 2k46 h HIS 25 N -0.04 0.00 0.00 5.19 3.86 -2.03 -3.44 115.15 118.69 2k46 h HIS 25 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k46 h HIS 25 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2k46 h HIS 25 CO -0.64 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.56 2k46 n GLY 26 N -1.17 1.50 3.52 2.45 0.00 0.35 -3.66 105.19 108.19 2k46 n GLY 26 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 4.73 -0.15 -0.61 -1.09 -1.10 -4.47 121.20 116.51 2k46 s ILE 27 Ca 0.00 -0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.31 2k46 s ILE 27 Cb 0.00 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2k46 s ILE 27 CO 0.00 0.32 0.11 -2.28 -1.23 0.00 0.00 174.94 171.87 2k46 s HIS 28 N 1.50 3.46 -0.13 3.97 5.65 -1.26 -0.36 115.29 128.12 2k46 s HIS 28 Ca 0.06 0.38 -0.06 0.00 0.25 0.00 0.00 55.06 55.70 2k46 s HIS 28 Cb -0.15 -2.01 -0.04 0.00 -1.18 0.00 0.00 32.58 29.20 2k46 s HIS 28 CO 0.06 0.51 0.08 -0.47 -0.65 0.00 0.00 174.74 174.27 2k46 s TYR 29 N -0.44 3.38 -0.48 3.88 5.04 0.50 -4.17 117.35 125.07 2k46 s TYR 29 Ca 0.11 0.31 -0.21 0.00 -2.44 0.00 0.00 57.07 54.84 2k46 s TYR 29 Cb -0.12 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.28 2k46 s TYR 29 CO 0.02 0.49 0.69 1.03 -1.34 0.00 0.00 175.55 176.44 2k46 s ARG 30 N -0.54 3.25 0.01 4.97 0.52 -0.99 -2.53 118.95 123.64 2k46 s ARG 30 Ca 0.11 -0.49 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 2k46 s ARG 30 Cb -0.12 -4.01 -0.05 0.00 0.52 0.00 0.00 34.95 31.29 2k46 s ARG 30 CO 0.02 -1.15 0.24 1.17 0.02 0.00 0.00 175.30 175.60 2k46 n LYS 31 N 6.45 0.00 0.00 3.54 4.81 -1.26 -3.81 118.16 127.90 2k46 n LYS 31 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2k46 n LYS 31 Cb 0.47 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 35.17 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 0.41 0.00 -1.43 3.14 8.00 -1.26 -4.76 116.55 120.65 2k46 n ASP 32 Ca 0.05 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.65 2k46 n ASP 32 Cb 0.03 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.46 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 3.28 0.00 -0.24 -0.04 -1.25 -3.63 135.00 133.13 2k46 n PRO 33 Ca 0.00 -2.76 -0.02 0.00 -0.04 0.00 0.00 63.50 60.68 2k46 n PRO 33 Cb 0.00 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 2k46 n PRO 33 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k46 n LEU 34 N 1.27 0.99 -4.55 1.53 0.00 -1.26 -4.18 117.00 110.79 2k46 n LEU 34 Ca 0.24 0.14 -0.14 0.00 0.00 0.00 0.00 56.01 56.26 2k46 n LEU 34 Cb 0.76 -0.38 -0.09 0.00 0.00 0.00 0.00 43.42 43.70 2k46 n LEU 34 CO 0.20 -0.57 1.34 -0.62 0.00 0.00 0.00 177.39 177.74 2k46 n GLU 35 N -3.43 0.47 -0.65 1.96 -0.58 -1.26 -1.12 120.64 116.03 2k46 n GLU 35 Ca -0.03 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 2k46 n GLU 35 Cb 0.12 -3.30 0.00 0.00 -0.57 0.00 0.00 31.44 27.69 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 6.62 1.00 3.85 0.62 0.00 -1.26 -3.60 105.19 112.42 2k46 n GLY 36 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -2.00 -3.79 -4.19 1.61 1.74 -0.28 -4.93 116.66 104.82 2k46 n ARG 37 Ca 0.00 0.46 -0.16 0.00 -0.77 0.00 0.00 57.85 57.37 2k46 n ARG 37 Cb 0.00 -5.22 -0.07 0.00 -1.02 0.00 0.00 32.46 26.15 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k46 s VAL 38 N -3.16 0.00 -0.81 1.55 -7.23 -1.24 -4.86 120.40 104.65 2k46 s VAL 38 Ca 0.61 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.73 2k46 s VAL 38 Cb -0.32 -2.54 -0.19 0.00 0.56 0.00 0.00 36.38 33.89 2k46 s VAL 38 CO 0.75 0.00 2.38 0.61 -0.31 0.00 0.00 175.10 178.53 2k46 n GLY 39 N -0.55 -0.22 2.55 2.32 0.00 -1.26 -4.74 105.19 103.29 2k46 n GLY 39 Ca 0.04 0.39 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 7.95 0.55 -0.08 1.61 5.12 -1.26 -5.01 116.66 125.55 2k46 n ARG 40 Ca 0.53 -2.47 -0.12 0.00 -1.93 0.00 0.00 57.85 53.86 2k46 n ARG 40 Cb 0.33 -1.46 -0.07 0.00 -1.16 0.00 0.00 32.46 30.10 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k46 h ALA 41 N 4.68 0.09 -5.79 7.54 0.00 -1.81 -3.44 119.26 120.53 2k46 h ALA 41 Ca 0.06 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 2k46 h ALA 41 Cb 0.99 0.39 0.09 0.00 0.00 0.00 0.00 17.79 19.27 2k46 h ALA 41 CO 0.27 0.38 -0.68 0.45 0.00 0.00 0.00 179.25 179.67 2k46 n SER 42 N -4.58 -6.39 -2.13 0.00 2.88 -1.26 -4.08 113.62 98.06 2k46 n SER 42 Ca -0.15 -0.66 -0.15 0.00 -1.33 0.00 0.00 58.87 56.58 2k46 n SER 42 Cb 0.41 -4.34 -0.15 0.00 -0.75 0.00 0.00 64.21 59.37 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k46 n ASP 43 N -2.61 5.58 0.07 -3.46 5.75 -1.26 -4.45 116.55 116.17 2k46 n ASP 43 Ca -0.08 -2.51 -0.11 0.00 -0.01 0.00 0.00 54.79 52.08 2k46 n ASP 43 Cb 0.59 -1.43 -0.08 0.00 -1.03 0.00 0.00 41.12 39.17 2k46 n ASP 43 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2k46 h TYR 44 N 3.17 -0.23 -0.15 2.11 3.20 -1.88 -3.22 116.97 119.98 2k46 h TYR 44 Ca 0.26 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 2k46 h TYR 44 Cb 1.39 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.69 2k46 h TYR 44 CO 1.79 0.19 0.12 0.41 -1.64 0.00 0.00 178.16 179.03 2k46 n GLY 45 N 0.37 2.78 0.23 1.82 0.00 -1.26 -4.27 105.19 104.86 2k46 n GLY 45 Ca -0.08 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.82 2k46 n GLY 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2k46 h MET 46 N 0.79 0.00 0.00 1.61 -1.53 -1.91 -3.44 114.93 110.45 2k46 h MET 46 Ca 0.09 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.35 2k46 h MET 46 Cb 1.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.13 2k46 h MET 46 CO 0.21 0.00 0.00 1.17 0.14 0.00 0.00 176.91 178.43 2k46 n LYS 47 N -2.74 -0.46 -3.73 0.39 4.81 -1.26 -4.49 118.16 110.69 2k46 n LYS 47 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2k46 n LYS 47 Cb 0.23 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.31 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k46 n LEU 48 N 0.00 -2.78 -4.67 3.14 4.77 -1.26 -4.85 117.00 111.34 2k46 n LEU 48 Ca 0.00 -1.00 -0.43 0.00 -0.03 0.00 0.00 56.01 54.55 2k46 n LEU 48 Cb 0.00 -2.39 -0.01 0.00 -2.33 0.00 0.00 43.42 38.69 2k46 n LEU 48 CO 0.00 0.46 0.87 -2.65 -1.33 0.00 0.00 177.39 174.73 2k46 n PRO 49 N -4.22 1.97 -1.71 3.23 -0.02 -1.26 -4.89 135.00 128.09 2k46 n PRO 49 Ca -0.15 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.63 2k46 n PRO 49 Cb 0.62 -2.25 0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2k46 n PRO 49 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k46 n ILE 50 N 0.68 3.25 0.01 4.25 5.41 -1.26 -4.80 119.36 126.89 2k46 n ILE 50 Ca 0.07 -0.50 0.05 0.00 1.00 0.00 0.00 62.75 63.38 2k46 n ILE 50 Cb 0.34 -1.57 -0.12 0.00 -0.71 0.00 0.00 39.64 37.58 2k46 n ILE 50 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2k46 n LEU 51 N -0.44 0.34 -2.15 1.39 4.32 -1.26 -4.34 117.00 114.85 2k46 n LEU 51 Ca 0.09 0.14 -0.28 0.00 -0.02 0.00 0.00 56.01 55.94 2k46 n LEU 51 Cb 0.43 0.09 0.11 0.00 -1.62 0.00 0.00 43.42 42.42 2k46 n LEU 51 CO 0.55 0.07 1.18 0.54 -1.22 0.00 0.00 177.39 178.52 2k46 n ARG 52 N -2.55 2.61 -3.89 3.23 5.12 -1.26 -4.94 116.66 114.98 2k46 n ARG 52 Ca -0.09 -3.32 -0.11 0.00 -1.93 0.00 0.00 57.85 52.40 2k46 n ARG 52 Cb 0.72 -2.21 -0.11 0.00 -1.16 0.00 0.00 32.46 29.69 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k46 s SER 53 N -1.99 0.05 0.50 0.55 0.15 -1.26 -4.87 113.70 106.83 2k46 s SER 53 Ca 0.59 -0.16 -0.23 0.00 0.70 0.00 0.00 55.95 56.85 2k46 s SER 53 Cb 0.48 0.16 -0.06 0.00 -1.71 0.00 0.00 66.02 64.89 2k46 s SER 53 CO 0.03 -0.23 1.34 0.21 1.20 0.00 0.00 173.24 175.78 2k46 s ASN 54 N -0.90 5.63 0.22 5.45 2.47 -1.26 -4.59 114.94 121.96 2k46 s ASN 54 Ca -0.10 2.72 -0.19 0.00 0.42 0.00 0.00 52.86 55.70 2k46 s ASN 54 Cb -0.06 -2.63 0.20 0.00 -1.45 0.00 0.00 41.25 37.30 2k46 s ASN 54 CO 0.00 -1.32 1.55 -2.65 -3.72 0.00 0.00 177.10 170.96 2k46 n PRO 55 N -0.66 -0.26 0.16 0.43 -0.02 -1.26 0.24 135.00 133.63 2k46 n PRO 55 Ca 0.08 1.53 -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 31.58 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 -0.39 0.00 -0.52 4.39 -1.99 -2.30 114.58 113.78 2k46 h GLU 56 Ca 0.32 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2k46 h GLU 56 Cb 0.57 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2k46 h GLU 56 CO -0.98 -0.11 0.00 -0.40 -1.16 0.00 0.00 179.01 176.36 2k46 n ASP 57 N -5.16 0.00 0.04 1.42 5.68 -0.74 -2.86 116.55 114.92 2k46 n ASP 57 Ca -0.10 -0.38 -0.07 0.00 -0.50 0.00 0.00 54.79 53.74 2k46 n ASP 57 Cb 0.24 -0.13 -0.05 0.00 -1.14 0.00 0.00 41.12 40.04 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 -0.19 -0.71 0.11 4.15 0.37 -0.72 115.11 118.12 2k46 h GLN 58 Ca 0.00 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.55 2k46 h GLN 58 Cb 0.09 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.74 2k46 h GLN 58 CO 0.00 0.13 0.29 -0.24 -1.93 0.00 0.00 178.83 177.08 2k46 h VAL 59 N -0.98 0.73 0.24 2.39 3.04 -1.36 0.11 116.25 120.41 2k46 h VAL 59 Ca -0.02 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 2k46 h VAL 59 Cb 0.41 0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 29.90 2k46 h VAL 59 CO 0.03 0.09 -0.14 0.25 -1.01 0.00 0.00 177.57 176.79 2k46 h LEU 60 N 0.47 -0.35 0.00 3.16 5.85 -1.59 -1.72 115.31 121.13 2k46 h LEU 60 Ca 0.37 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2k46 h LEU 60 Cb 0.50 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2k46 h LEU 60 CO -0.35 -0.22 0.18 -1.22 -0.34 0.00 0.00 178.44 176.49 2k46 n TYR 61 N -3.08 0.00 0.00 1.25 4.02 -0.28 -4.25 117.16 114.82 2k46 n TYR 61 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2k46 n TYR 61 Cb 0.15 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.22 0.00 -0.32 -0.72 7.27 0.34 -4.68 117.38 118.06 2k46 n GLN 62 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 2k46 n GLN 62 Cb 0.18 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.82 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 -0.94 -4.58 114.28 108.21 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 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.70 0.00 -4.19 -0.78 0.00 -1.26 -4.70 120.64 108.01 2k46 n GLU 64 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 2k46 n GLU 64 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.51 2k46 n GLU 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2k46 s ARG 65 N -2.00 1.70 0.77 3.44 1.70 -1.26 -4.22 118.95 119.08 2k46 s ARG 65 Ca 0.00 -1.82 -0.15 0.00 -0.47 0.00 0.00 55.73 53.29 2k46 s ARG 65 Cb 0.00 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2k46 s ARG 65 CO 0.00 -0.65 0.63 0.98 -1.08 0.00 0.00 175.30 175.18 2k46 n TYR 66 N -0.53 -0.53 -4.20 5.89 9.36 -1.26 -4.96 117.16 120.93 2k46 n TYR 66 Ca 0.04 0.34 -0.13 0.00 3.32 0.00 0.00 57.90 61.46 2k46 n TYR 66 Cb 0.63 -1.93 -0.10 0.00 -0.63 0.00 0.00 39.34 37.30 2k46 n TYR 66 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2k46 s ASN 67 N -1.65 1.50 0.00 2.98 -0.87 -1.26 -4.97 114.94 110.66 2k46 s ASN 67 Ca 0.66 -0.93 0.00 0.00 -1.57 0.00 0.00 52.86 51.02 2k46 s ASN 67 Cb -0.32 0.02 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2k46 s ASN 67 CO 0.58 -0.33 0.00 1.21 -2.57 0.00 0.00 177.10 175.99 2k46 n GLU 68 N 0.15 0.00 -3.50 -0.60 4.07 -1.26 -5.00 120.64 114.50 2k46 n GLU 68 Ca -0.13 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 56.98 2k46 n GLU 68 Cb 0.59 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.92 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2k46 s ASP 69 N 1.00 -0.38 -0.11 4.31 1.47 -1.26 -4.64 116.67 117.07 2k46 s ASP 69 Ca 0.00 0.56 -0.04 0.00 1.18 0.00 0.00 52.55 54.25 2k46 s ASP 69 Cb 0.00 1.30 0.02 0.00 -0.34 0.00 0.00 42.92 43.89 2k46 s ASP 69 CO 0.00 -0.08 0.09 -0.24 0.68 0.00 0.00 175.17 175.61 2k46 n SER 70 N 4.11 -5.02 -3.49 2.11 2.88 -1.25 -5.02 113.62 107.93 2k46 n SER 70 Ca -0.13 1.08 -0.11 0.00 -1.33 0.00 0.00 58.87 58.38 2k46 n SER 70 Cb 0.55 -3.40 -0.02 0.00 -0.75 0.00 0.00 64.21 60.59 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 -0.63 -0.47 0.00 0.66 -0.71 -1.10 -5.01 117.98 110.72 2k46 s PHE 71 Ca -0.10 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.02 2k46 s PHE 71 Cb 0.01 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 2k46 s PHE 71 CO 0.39 -0.86 0.00 0.41 -1.34 0.00 0.00 175.22 173.83 2k46 n GLY 72 N -0.37 1.68 3.47 1.99 0.00 -1.26 -2.56 105.19 108.13 2k46 n GLY 72 Ca -0.14 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.57 2.18 -0.35 1.61 1.51 -0.53 -4.96 117.35 114.24 2k46 s TYR 73 Ca 0.00 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 2k46 s TYR 73 Cb 0.00 -1.15 0.08 0.00 -0.11 0.00 0.00 41.96 40.78 2k46 s TYR 73 CO 0.00 0.52 0.10 0.34 -1.11 0.00 0.00 175.55 175.40 2k46 s ASP 74 N -3.51 5.09 -0.48 2.29 -1.08 -1.26 -2.64 116.67 115.09 2k46 s ASP 74 Ca 0.30 -1.60 -0.18 0.00 -0.52 0.00 0.00 52.55 50.55 2k46 s ASP 74 Cb 0.00 -1.78 0.05 0.00 -1.46 0.00 0.00 42.92 39.74 2k46 s ASP 74 CO 0.14 -0.39 0.53 -0.63 0.52 0.00 0.00 175.17 175.34 2k46 s ILE 75 N 1.21 5.01 -0.20 4.11 1.09 -0.24 -4.96 121.20 127.23 2k46 s ILE 75 Ca 0.01 -0.59 -0.28 0.00 -1.10 0.00 0.00 60.65 58.70 2k46 s ILE 75 Cb -0.21 -4.20 -0.00 0.00 -1.06 0.00 0.00 42.46 36.99 2k46 s ILE 75 CO -0.02 -0.66 0.95 -2.16 -0.10 0.00 0.00 174.94 172.95 2k46 s PRO 76 N 2.29 4.29 0.05 2.79 0.04 -1.26 -0.17 135.00 143.02 2k46 s PRO 76 Ca 0.12 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.40 2k46 s PRO 76 Cb -0.20 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2k46 s PRO 76 CO 0.11 -0.49 -0.08 0.42 0.04 0.00 0.00 177.00 177.01 2k46 s ILE 77 N 2.69 0.57 -0.22 0.56 1.01 -1.22 -4.97 121.20 119.62 2k46 s ILE 77 Ca 0.42 -1.23 0.20 0.00 0.00 0.00 0.00 60.65 60.05 2k46 s ILE 77 Cb -0.16 -0.80 0.45 0.00 0.01 0.00 0.00 42.46 41.96 2k46 s ILE 77 CO 0.10 -0.47 1.20 0.29 0.00 0.00 0.00 174.94 176.06 2k46 n LYS 78 N 1.20 1.27 -4.22 2.79 5.02 -1.26 -4.46 118.16 118.50 2k46 n LYS 78 Ca -0.21 -2.69 -0.16 0.00 -2.02 0.00 0.00 58.31 53.23 2k46 n LYS 78 Cb 0.56 -0.84 -0.14 0.00 -0.02 0.00 0.00 35.03 34.59 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k46 s GLU 79 N -2.22 0.58 0.09 1.97 0.41 -1.26 -5.16 118.70 113.11 2k46 s GLU 79 Ca 0.23 -0.39 0.05 0.00 -0.41 0.00 0.00 54.97 54.46 2k46 s GLU 79 Cb 0.34 -0.52 -0.04 0.00 -1.78 0.00 0.00 34.13 32.13 2k46 s GLU 79 CO -0.08 0.13 -0.01 -1.21 -0.49 0.00 0.00 175.26 173.60 2k46 s GLU 80 N -0.52 2.51 0.00 1.61 2.02 -1.26 -4.98 118.70 118.08 2k46 s GLU 80 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2k46 s GLU 80 Cb -0.04 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2k46 s GLU 80 CO 0.00 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2k46 n GLY 81 N 0.64 -0.12 3.41 -1.39 0.00 -0.82 -5.00 105.19 101.90 2k46 n GLY 81 Ca -0.11 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 2.88 -0.20 1.61 2.02 -1.14 -1.75 118.70 120.12 2k46 s GLU 82 Ca 0.00 -1.08 -0.14 0.00 0.02 0.00 0.00 54.97 53.77 2k46 s GLU 82 Cb 0.00 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 2k46 s GLU 82 CO 0.00 -0.75 0.32 0.71 0.02 0.00 0.00 175.26 175.56 2k46 s TYR 83 N 1.61 3.39 -0.28 1.61 1.51 -0.61 -0.36 117.35 124.21 2k46 s TYR 83 Ca 0.03 0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 56.59 2k46 s TYR 83 Cb -0.19 -2.42 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 2k46 s TYR 83 CO 0.08 0.08 0.01 0.08 -1.11 0.00 0.00 175.55 174.69 2k46 s VAL 84 N 1.02 3.37 -0.49 0.71 1.01 -1.10 -0.36 120.40 124.55 2k46 s VAL 84 Ca 0.16 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 2k46 s VAL 84 Cb -0.14 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.55 2k46 s VAL 84 CO 0.06 0.08 0.47 -0.22 0.00 0.00 0.00 175.10 175.49 2k46 s LEU 85 N 1.38 5.55 -0.07 3.92 0.20 -1.08 -2.65 118.68 125.93 2k46 s LEU 85 Ca 0.00 -1.31 0.02 0.00 0.69 0.00 0.00 54.13 53.54 2k46 s LEU 85 Cb -0.18 -2.25 -0.02 0.00 -0.43 0.00 0.00 46.19 43.32 2k46 s LEU 85 CO -0.01 -0.75 -0.14 0.54 -0.29 0.00 0.00 176.35 175.71 2k46 s VAL 86 N 1.89 3.09 -0.13 1.68 0.11 -0.79 -1.63 120.40 124.63 2k46 s VAL 86 Ca 0.07 -0.70 -0.11 0.00 -2.93 0.00 0.00 61.98 58.31 2k46 s VAL 86 Cb -0.24 -2.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.41 2k46 s VAL 86 CO 0.07 0.57 0.33 -1.48 -3.33 0.00 0.00 175.10 171.27 2k46 s LEU 87 N -0.44 0.69 -0.22 2.54 2.34 -1.08 -1.65 118.68 120.84 2k46 s LEU 87 Ca 0.05 0.67 -0.16 0.00 0.06 0.00 0.00 54.13 54.76 2k46 s LEU 87 Cb -0.12 1.14 -0.04 0.00 -0.56 0.00 0.00 46.19 46.61 2k46 s LEU 87 CO 0.02 -0.12 0.41 -0.75 -1.06 0.00 0.00 176.35 174.85 2k46 s LYS 88 N 0.26 4.13 -0.04 1.48 2.47 -1.17 -2.70 119.74 124.17 2k46 s LYS 88 Ca -0.01 0.19 -0.00 0.00 -1.56 0.00 0.00 55.97 54.59 2k46 s LYS 88 Cb -0.03 -3.58 -0.04 0.00 -1.46 0.00 0.00 37.83 32.73 2k46 s LYS 88 CO -0.00 -0.14 0.02 -0.06 0.16 0.00 0.00 175.35 175.33 2k46 s PHE 89 N 1.63 3.17 0.03 4.03 0.08 -0.42 -0.95 117.98 125.54 2k46 s PHE 89 Ca 0.19 0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.38 2k46 s PHE 89 Cb -0.15 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2k46 s PHE 89 CO 0.09 0.49 0.01 0.00 -0.10 0.00 0.00 175.22 175.71 2k46 s ALA 90 N -1.04 0.12 -0.06 5.36 0.00 -1.15 -2.09 121.76 122.91 2k46 s ALA 90 Ca 0.18 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2k46 s ALA 90 Cb -0.12 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.21 2k46 s ALA 90 CO 0.08 -0.24 0.17 -2.00 0.00 0.00 0.00 175.76 173.76 2k46 s GLU 91 N -2.24 0.24 0.27 0.00 2.12 -1.26 -2.28 118.70 115.56 2k46 s GLU 91 Ca -0.09 0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 2k46 s GLU 91 Cb -0.04 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.45 2k46 s GLU 91 CO -0.03 -0.04 0.36 0.14 -0.54 0.00 0.00 175.26 175.15 2k46 s VAL 92 N -0.09 0.00 0.00 3.70 -7.23 -1.26 -3.78 120.40 111.74 2k46 s VAL 92 Ca -0.02 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2k46 s VAL 92 Cb -0.02 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2k46 s VAL 92 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 2k46 n TYR 93 N -0.44 0.00 -3.53 2.82 9.36 -1.26 -4.90 117.16 119.21 2k46 n TYR 93 Ca 0.01 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 2k46 n TYR 93 Cb 0.63 -1.69 -0.10 0.00 -0.63 0.00 0.00 39.34 37.54 2k46 n TYR 93 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2k46 s PHE 94 N -1.16 -0.64 -0.45 2.98 0.08 -1.26 -5.11 117.98 112.43 2k46 s PHE 94 Ca 0.00 0.97 0.04 0.00 0.12 0.00 0.00 56.93 58.05 2k46 s PHE 94 Cb 0.00 0.03 0.12 0.00 -0.57 0.00 0.00 43.02 42.60 2k46 s PHE 94 CO 0.00 -0.55 0.18 0.00 -0.10 0.00 0.00 175.22 174.76 2k46 s ALA 95 N 2.50 3.03 -0.18 5.36 0.00 -1.26 -4.97 121.76 126.24 2k46 s ALA 95 Ca 0.05 -2.93 -0.30 0.00 0.00 0.00 0.00 51.96 48.79 2k46 s ALA 95 Cb -0.14 -2.06 0.13 0.00 0.00 0.00 0.00 23.12 21.06 2k46 s ALA 95 CO -0.13 -1.90 1.04 -1.14 0.00 0.00 0.00 175.76 173.63 2k46 s GLN 96 N 0.22 0.53 0.20 0.00 0.74 -1.26 -5.17 119.66 114.92 2k46 s GLN 96 Ca 0.15 0.14 0.07 0.00 0.05 0.00 0.00 55.36 55.77 2k46 s GLN 96 Cb -0.23 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 2k46 s GLN 96 CO -0.04 -0.16 0.07 -1.54 -0.55 0.00 0.00 175.29 173.07 2k46 s SER 97 N -1.08 5.04 -1.20 6.67 1.04 -1.26 -4.46 113.70 118.44 2k46 s SER 97 Ca -0.01 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.98 2k46 s SER 97 Cb -0.01 -1.15 0.07 0.00 0.10 0.00 0.00 66.02 65.03 2k46 s SER 97 CO 0.00 0.04 0.42 0.00 0.98 0.00 0.00 173.24 174.68 2k46 n GLN 98 N -0.52 -3.11 0.00 4.02 1.13 -1.26 -4.70 117.38 112.94 2k46 n GLN 98 Ca -0.08 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 2k46 n GLN 98 Cb 0.56 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 25.81 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2k46 n GLN 99 N -3.58 0.00 -3.37 -1.09 -0.06 -1.26 -4.95 117.38 103.08 2k46 n GLN 99 Ca -0.02 0.00 -0.45 0.00 -2.00 0.00 0.00 57.00 54.53 2k46 n GLN 99 Cb 0.54 -0.35 -0.02 0.00 -4.06 0.00 0.00 30.24 26.35 2k46 n GLN 99 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2k46 s LYS 100 N -1.80 3.76 -0.00 3.69 -0.14 -1.26 -4.96 119.74 119.02 2k46 s LYS 100 Ca 0.00 -2.80 0.02 0.00 -1.36 0.00 0.00 55.97 51.84 2k46 s LYS 100 Cb 0.00 -4.41 -0.03 0.00 -1.68 0.00 0.00 37.83 31.70 2k46 s LYS 100 CO 0.00 -1.26 -0.03 0.14 -0.76 0.00 0.00 175.35 173.43 2k46 s VAL 101 N -0.47 3.91 0.24 3.17 -7.23 -1.26 -4.36 120.40 114.40 2k46 s VAL 101 Ca 0.23 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 2k46 s VAL 101 Cb -0.10 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 2k46 s VAL 101 CO -0.08 0.40 0.05 0.49 -0.31 0.00 0.00 175.10 175.64 2k46 n PHE 102 N 1.52 0.28 -4.00 2.82 3.72 -0.83 -3.53 117.46 117.44 2k46 n PHE 102 Ca -0.15 -1.36 -0.12 0.00 -0.05 0.00 0.00 57.45 55.77 2k46 n PHE 102 Cb 0.53 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.87 2k46 n PHE 102 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k46 s ASP 103 N -2.38 0.36 -0.01 4.37 2.15 -0.78 0.14 116.67 120.51 2k46 s ASP 103 Ca 0.07 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 52.80 2k46 s ASP 103 Cb 0.00 0.02 -0.00 0.00 -0.30 0.00 0.00 42.92 42.64 2k46 s ASP 103 CO 0.05 -0.11 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.18 2k46 s VAL 104 N -0.70 0.59 0.01 1.11 1.01 -0.63 -2.22 120.40 119.56 2k46 s VAL 104 Ca -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2k46 s VAL 104 Cb -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2k46 s VAL 104 CO -0.00 0.18 0.07 -0.13 0.00 0.00 0.00 175.10 175.22 2k46 s ARG 105 N 0.02 0.39 -0.20 2.72 0.52 -0.91 -0.93 118.95 120.56 2k46 s ARG 105 Ca 0.00 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2k46 s ARG 105 Cb -0.05 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 2k46 s ARG 105 CO -0.00 -0.08 -0.07 0.14 0.02 0.00 0.00 175.30 175.30 2k46 s VAL 106 N -1.27 3.20 -1.12 3.52 -7.23 0.54 -2.68 120.40 115.36 2k46 s VAL 106 Ca -0.14 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2k46 s VAL 106 Cb -0.08 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2k46 s VAL 106 CO 0.01 0.45 0.00 -3.20 -0.31 0.00 0.00 175.10 172.05 2k46 n ASN 107 N 4.57 -3.67 0.00 4.85 5.15 0.30 -0.38 115.26 126.07 2k46 n ASN 107 Ca -0.18 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2k46 n ASN 107 Cb 0.51 -3.21 0.00 0.00 -0.53 0.00 0.00 39.78 36.55 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k46 n GLY 108 N -0.63 1.04 3.00 8.20 0.00 -1.11 -4.69 105.19 111.00 2k46 n GLY 108 Ca -0.14 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 2.86 0.04 1.61 3.76 0.49 -5.04 115.29 117.01 2k46 s HIS 109 Ca 0.00 -2.08 -0.30 0.00 -0.15 0.00 0.00 55.06 52.53 2k46 s HIS 109 Cb 0.00 -1.81 -0.09 0.00 1.11 0.00 0.00 32.58 31.79 2k46 s HIS 109 CO 0.00 -0.83 1.95 0.95 -0.85 0.00 0.00 174.74 175.96 2k46 s THR 110 N 1.24 2.98 -0.06 1.30 -4.23 -1.26 -0.34 115.64 115.27 2k46 s THR 110 Ca -0.06 0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 2k46 s THR 110 Cb -0.19 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.55 2k46 s THR 110 CO -0.06 -0.00 0.02 0.52 -0.54 0.00 0.00 174.62 174.56 2k46 n VAL 111 N 5.47 0.43 -3.54 2.29 0.31 -0.11 -4.89 118.33 118.30 2k46 n VAL 111 Ca 0.20 -0.27 -0.29 0.00 -0.01 0.00 0.00 64.34 63.97 2k46 n VAL 111 Cb 0.41 -0.81 -0.13 0.00 -0.91 0.00 0.00 33.84 32.40 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 -2.16 0.42 -0.16 2.52 1.01 -1.15 -5.05 120.40 115.83 2k46 s VAL 112 Ca -0.03 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.12 2k46 s VAL 112 Cb 0.02 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2k46 s VAL 112 CO 0.26 -0.91 0.15 -1.59 0.00 0.00 0.00 175.10 173.00 2k46 s LYS 113 N 1.10 3.89 0.00 2.72 -2.85 -1.26 -1.61 119.74 121.73 2k46 s LYS 113 Ca 0.16 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2k46 s LYS 113 Cb -0.22 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 2k46 s LYS 113 CO -0.06 0.50 0.00 -0.25 0.10 0.00 0.00 175.35 175.64 2k46 n ASP 114 N 2.87 -0.59 -4.54 0.03 8.00 0.36 -4.96 116.55 117.71 2k46 n ASP 114 Ca -0.17 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.08 2k46 n ASP 114 Cb 0.53 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k46 n LEU 115 N -0.06 1.28 -4.35 0.64 0.00 0.49 -4.32 117.00 110.68 2k46 n LEU 115 Ca 0.00 -0.88 -0.45 0.00 0.00 0.00 0.00 56.01 54.68 2k46 n LEU 115 Cb 0.24 -1.39 -0.00 0.00 0.00 0.00 0.00 43.42 42.27 2k46 n LEU 115 CO 0.00 -1.94 0.80 1.51 0.00 0.00 0.00 177.39 177.76 2k46 s ASP 116 N 9.40 7.20 0.19 1.96 -4.77 -1.26 -1.96 116.67 127.43 2k46 s ASP 116 Ca 1.05 -3.36 -0.13 0.00 -3.30 0.00 0.00 52.55 46.81 2k46 s ASP 116 Cb -0.38 -2.23 0.21 0.00 -1.09 0.00 0.00 42.92 39.43 2k46 s ASP 116 CO 0.25 -0.40 1.67 0.40 0.70 0.00 0.00 175.17 177.80 2k46 h ILE 117 N 3.99 0.57 0.35 2.11 2.04 -1.88 -1.37 117.51 123.31 2k46 h ILE 117 Ca 0.18 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2k46 h ILE 117 Cb 0.90 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2k46 h ILE 117 CO 1.00 0.02 -0.20 0.15 0.00 0.00 0.00 178.15 179.11 2k46 h PHE 118 N 0.10 -0.53 -0.27 1.37 3.57 -1.85 -2.11 116.94 117.23 2k46 h PHE 118 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 2k46 h PHE 118 Cb 0.41 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2k46 h PHE 118 CO -0.34 -0.32 0.24 0.22 -2.23 0.00 0.00 178.31 175.88 2k46 h ASP 119 N -0.53 0.00 0.35 0.41 1.82 -1.66 0.36 116.42 117.17 2k46 h ASP 119 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 2k46 h ASP 119 Cb 0.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2k46 h ASP 119 CO 0.05 0.00 -0.17 0.03 -1.61 0.00 0.00 179.24 177.53 2k46 h ARG 120 N 0.00 -0.46 0.00 0.28 2.47 -0.60 -3.43 114.38 112.65 2k46 h ARG 120 Ca 0.13 0.03 -0.21 0.00 -1.26 0.00 0.00 59.98 58.67 2k46 h ARG 120 Cb 0.61 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.00 2k46 h ARG 120 CO -0.00 -0.26 -1.79 1.33 0.56 0.00 0.00 179.97 179.81 2k46 n VAL 121 N -5.09 0.80 0.00 2.04 0.24 -1.00 -5.12 118.33 110.20 2k46 n VAL 121 Ca -0.07 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2k46 n VAL 121 Cb 0.21 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.75 0.21 3.49 7.63 0.00 0.12 -5.00 105.19 114.39 2k46 n GLY 122 Ca -0.25 -1.83 -0.49 0.00 0.00 0.00 0.00 46.02 43.45 2k46 n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k46 n HIS 123 N 0.00 1.72 0.00 1.61 8.25 -1.26 -4.56 115.22 120.98 2k46 n HIS 123 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2k46 n HIS 123 Cb 0.00 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 28.52 2k46 n HIS 123 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2k46 n SER 124 N 10.26 0.00 -0.62 0.41 7.64 -1.25 -4.87 113.62 125.19 2k46 n SER 124 Ca 0.38 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.33 2k46 n SER 124 Cb 0.29 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k46 n THR 125 N 0.00 0.00 -4.18 0.44 -2.24 -1.26 -4.55 114.28 102.49 2k46 n THR 125 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2k46 n THR 125 Cb 0.00 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.53 3.24 -0.03 6.98 0.00 -1.26 -4.75 121.76 124.41 2k46 s ALA 126 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2k46 s ALA 126 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2k46 s ALA 126 CO 0.00 0.22 -0.06 -1.58 0.00 0.00 0.00 175.76 174.33 2k46 s HIS 127 N 0.30 2.92 -0.03 0.00 2.46 -0.89 -4.93 115.29 115.12 2k46 s HIS 127 Ca 0.00 -0.00 0.01 0.00 0.47 0.00 0.00 55.06 55.54 2k46 s HIS 127 Cb -0.13 -1.66 0.02 0.00 -0.13 0.00 0.00 32.58 30.68 2k46 s HIS 127 CO 0.01 0.36 -0.04 0.16 -2.47 0.00 0.00 174.74 172.77 2k46 s ASP 128 N -1.17 0.77 -0.09 9.88 1.47 -1.26 -1.30 116.67 124.96 2k46 s ASP 128 Ca 0.15 -0.10 -0.01 0.00 1.18 0.00 0.00 52.55 53.77 2k46 s ASP 128 Cb -0.11 -0.34 0.03 0.00 -0.34 0.00 0.00 42.92 42.16 2k46 s ASP 128 CO 0.05 -0.04 -0.05 -1.61 0.68 0.00 0.00 175.17 174.20 2k46 s GLU 129 N 0.75 1.13 -0.12 2.11 2.02 -1.10 -5.03 118.70 118.46 2k46 s GLU 129 Ca -0.09 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 2k46 s GLU 129 Cb -0.12 -1.29 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 2k46 s GLU 129 CO -0.00 -0.25 0.02 0.42 0.02 0.00 0.00 175.26 175.47 2k46 s ILE 130 N 1.71 4.49 -0.41 -1.63 1.01 -1.26 -2.64 121.20 122.46 2k46 s ILE 130 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.54 2k46 s ILE 130 Cb -0.13 -2.94 0.15 0.00 0.01 0.00 0.00 42.46 39.55 2k46 s ILE 130 CO -0.06 0.56 0.27 -0.63 0.00 0.00 0.00 174.94 175.08 2k46 s ILE 131 N -0.46 0.72 0.33 2.92 1.01 -0.64 -5.02 121.20 120.06 2k46 s ILE 131 Ca 0.09 -2.36 -0.29 0.00 0.00 0.00 0.00 60.65 58.08 2k46 s ILE 131 Cb -0.12 -1.51 -0.11 0.00 0.01 0.00 0.00 42.46 40.74 2k46 s ILE 131 CO 0.02 -1.03 1.41 -2.84 0.00 0.00 0.00 174.94 172.50 2k46 s PRO 132 N 0.43 4.24 0.12 2.79 0.02 -1.26 -2.64 135.00 138.71 2k46 s PRO 132 Ca 0.22 2.38 0.06 0.00 0.02 0.00 0.00 61.00 63.68 2k46 s PRO 132 Cb -0.15 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 2k46 s PRO 132 CO -0.06 -0.38 -0.15 0.42 -0.33 0.00 0.00 177.00 176.50 2k46 s ILE 133 N -0.81 1.40 -0.22 2.83 1.01 0.51 -4.63 121.20 121.30 2k46 s ILE 133 Ca 0.53 -1.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 2k46 s ILE 133 Cb -0.43 -1.52 0.07 0.00 0.01 0.00 0.00 42.46 40.58 2k46 s ILE 133 CO 0.54 -0.35 0.03 -0.94 0.00 0.00 0.00 174.94 174.21 2k46 s SER 134 N -2.36 3.27 -0.20 3.58 1.04 -1.09 -1.57 113.70 116.37 2k46 s SER 134 Ca 0.08 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 2k46 s SER 134 Cb -0.06 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 2k46 s SER 134 CO 0.03 -0.31 0.05 -0.63 0.98 0.00 0.00 173.24 173.36 2k46 s ILE 135 N 1.73 4.50 -0.06 -1.02 1.01 -0.72 -1.60 121.20 125.04 2k46 s ILE 135 Ca -0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2k46 s ILE 135 Cb -0.17 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2k46 s ILE 135 CO -0.10 0.42 0.28 -0.54 0.00 0.00 0.00 174.94 174.99 2k46 s LYS 136 N 0.79 0.46 -2.03 2.79 1.02 -0.47 -1.95 119.74 120.35 2k46 s LYS 136 Ca 0.03 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.12 2k46 s LYS 136 Cb -0.14 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 2k46 s LYS 136 CO 0.02 -0.10 0.00 1.63 -0.92 0.00 0.00 175.35 175.99 2k46 n LYS 137 N 2.20 -1.45 -1.85 1.68 4.76 -1.26 -0.85 118.16 121.39 2k46 n LYS 137 Ca -0.17 1.13 -0.00 0.00 -2.87 0.00 0.00 58.31 56.40 2k46 n LYS 137 Cb 0.57 -5.51 -0.00 0.00 -1.84 0.00 0.00 35.03 28.25 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k46 n GLY 138 N -0.41 0.37 3.09 0.72 0.00 -1.26 -5.04 105.19 102.66 2k46 n GLY 138 Ca -0.20 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 2k46 n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 139 N -3.70 0.90 -0.12 1.61 2.20 -0.03 -2.39 119.74 118.21 2k46 s LYS 139 Ca 0.00 -0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 54.94 2k46 s LYS 139 Cb 0.00 -0.87 -0.05 0.00 -1.51 0.00 0.00 37.83 35.40 2k46 s LYS 139 CO 0.00 0.23 0.30 -1.17 -0.36 0.00 0.00 175.35 174.35 2k46 s LEU 140 N -0.62 4.31 -0.21 5.43 0.20 -0.27 -1.36 118.68 126.15 2k46 s LEU 140 Ca 0.03 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.45 2k46 s LEU 140 Cb -0.06 -2.38 0.03 0.00 -0.43 0.00 0.00 46.19 43.35 2k46 s LEU 140 CO 0.00 0.18 -0.14 -0.55 -0.29 0.00 0.00 176.35 175.56 2k46 s SER 141 N -0.04 3.74 -0.38 3.68 0.15 -0.63 -1.44 113.70 118.78 2k46 s SER 141 Ca 0.18 -0.80 0.02 0.00 0.70 0.00 0.00 55.95 56.05 2k46 s SER 141 Cb -0.14 -1.56 0.11 0.00 -1.71 0.00 0.00 66.02 62.72 2k46 s SER 141 CO 0.06 -0.06 0.12 0.54 1.20 0.00 0.00 173.24 175.09 2k46 s VAL 142 N 1.28 2.58 0.00 4.45 0.11 0.22 -2.66 120.40 126.38 2k46 s VAL 142 Ca 0.02 -2.42 0.00 0.00 -2.93 0.00 0.00 61.98 56.64 2k46 s VAL 142 Cb -0.15 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2k46 s VAL 142 CO -0.09 -0.65 0.00 0.00 -3.33 0.00 0.00 175.10 171.03 2k46 n GLN 143 N 4.16 0.00 -0.32 1.54 3.00 -1.26 -0.99 117.38 123.52 2k46 n GLN 143 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 2k46 n GLN 143 Cb 0.41 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.84 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 4.58 2.98 1.08 0.00 -1.26 -5.00 105.19 107.58 2k46 n GLY 144 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2k46 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 145 N -2.92 0.35 0.08 1.61 0.41 -0.16 -5.16 118.70 112.91 2k46 s GLU 145 Ca 0.37 -0.45 0.07 0.00 -0.41 0.00 0.00 54.97 54.55 2k46 s GLU 145 Cb 0.32 -0.16 -0.03 0.00 -1.78 0.00 0.00 34.13 32.48 2k46 s GLU 145 CO 0.04 0.03 -0.18 0.54 -0.49 0.00 0.00 175.26 175.20 2k46 s VAL 146 N -0.87 1.45 -0.28 2.63 0.11 -1.26 -0.61 120.40 121.57 2k46 s VAL 146 Ca -0.07 -1.35 -0.21 0.00 -2.93 0.00 0.00 61.98 57.42 2k46 s VAL 146 Cb -0.06 -1.33 0.09 0.00 -1.53 0.00 0.00 36.38 33.55 2k46 s VAL 146 CO -0.00 -0.06 0.79 -0.44 -3.33 0.00 0.00 175.10 172.06 2k46 s SER 147 N -1.64 -0.74 0.26 3.54 0.01 -0.52 -5.02 113.70 109.59 2k46 s SER 147 Ca 0.03 1.31 -0.30 0.00 1.31 0.00 0.00 55.95 58.30 2k46 s SER 147 Cb -0.10 1.32 -0.13 0.00 0.21 0.00 0.00 66.02 67.32 2k46 s SER 147 CO 0.03 -0.22 1.32 0.35 0.41 0.00 0.00 173.24 175.14 2k46 n THR 148 N 3.22 1.28 -2.69 1.44 -2.24 -1.26 -1.12 114.28 112.92 2k46 n THR 148 Ca -0.16 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 2k46 n THR 148 Cb 0.57 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 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 -0.40 3.45 -0.67 4.78 5.36 -1.00 -4.67 117.98 124.83 2k46 s PHE 149 Ca 0.65 1.54 -0.05 0.00 -0.96 0.00 0.00 56.93 58.11 2k46 s PHE 149 Cb -0.65 -3.21 0.17 0.00 -0.34 0.00 0.00 43.02 38.99 2k46 s PHE 149 CO 0.54 -0.31 0.51 -0.08 -1.46 0.00 0.00 175.22 174.41 2k46 s THR 150 N 2.43 4.09 0.00 0.12 -1.32 -1.26 -4.84 115.64 114.86 2k46 s THR 150 Ca 0.46 -2.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.06 2k46 s THR 150 Cb -0.17 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2k46 s THR 150 CO 0.14 -0.91 0.00 0.61 -2.21 0.00 0.00 174.62 172.25 2k46 n GLY 151 N 3.55 0.00 3.51 6.08 0.00 -1.26 -4.76 105.19 112.32 2k46 n GLY 151 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 0.99 -0.23 1.61 2.36 -1.26 -3.42 119.74 119.69 2k46 s LYS 152 Ca 0.00 0.08 -0.12 0.00 -2.55 0.00 0.00 55.97 53.38 2k46 s LYS 152 Cb 0.00 0.47 -0.05 0.00 -1.05 0.00 0.00 37.83 37.20 2k46 s LYS 152 CO 0.00 -0.34 0.23 -1.17 1.55 0.00 0.00 175.35 175.62 2k46 s LEU 153 N -1.51 4.12 -0.43 5.43 0.20 0.76 -4.95 118.68 122.29 2k46 s LEU 153 Ca -0.06 0.21 -0.08 0.00 0.69 0.00 0.00 54.13 54.89 2k46 s LEU 153 Cb -0.00 -2.22 0.10 0.00 -0.43 0.00 0.00 46.19 43.63 2k46 s LEU 153 CO 0.03 0.01 0.27 -0.94 -0.29 0.00 0.00 176.35 175.44 2k46 s SER 154 N 1.13 5.58 -0.32 3.68 1.04 -1.26 -1.08 113.70 122.47 2k46 s SER 154 Ca 0.11 -1.73 -0.12 0.00 0.48 0.00 0.00 55.95 54.69 2k46 s SER 154 Cb -0.14 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 2k46 s SER 154 CO 0.06 -0.59 0.22 -0.69 0.98 0.00 0.00 173.24 173.22 2k46 s VAL 155 N 1.35 5.24 0.11 5.02 1.01 -1.08 0.11 120.40 132.16 2k46 s VAL 155 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2k46 s VAL 155 Cb -0.24 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2k46 s VAL 155 CO -0.00 0.09 0.25 -1.83 0.00 0.00 0.00 175.10 173.61 2k46 s GLU 156 N 1.73 0.93 0.07 2.72 4.04 -1.09 -1.45 118.70 125.65 2k46 s GLU 156 Ca 0.06 -0.94 0.06 0.00 0.04 0.00 0.00 54.97 54.19 2k46 s GLU 156 Cb -0.17 0.37 -0.03 0.00 0.02 0.00 0.00 34.13 34.33 2k46 s GLU 156 CO 0.10 -0.32 -0.16 -0.59 -1.84 0.00 0.00 175.26 172.45 2k46 s PHE 157 N -3.87 1.37 0.02 4.83 -0.12 -1.06 -2.13 117.98 117.02 2k46 s PHE 157 Ca 0.06 -0.43 0.08 0.00 -0.05 0.00 0.00 56.93 56.60 2k46 s PHE 157 Cb 0.04 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.63 2k46 s PHE 157 CO -0.10 0.09 -0.24 0.08 -0.05 0.00 0.00 175.22 175.00 2k46 s VAL 158 N -1.15 2.29 0.34 -2.49 1.01 -0.94 -2.73 120.40 116.73 2k46 s VAL 158 Ca 0.01 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 2k46 s VAL 158 Cb -0.10 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.31 2k46 s VAL 158 CO 0.02 0.44 0.89 -1.59 0.00 0.00 0.00 175.10 174.87 2k46 s LYS 159 N -1.04 4.37 -0.02 2.72 -2.85 -1.26 -1.87 119.74 119.79 2k46 s LYS 159 Ca 0.12 1.13 0.19 0.00 -1.00 0.00 0.00 55.97 56.41 2k46 s LYS 159 Cb -0.10 -2.60 -0.29 0.00 -2.06 0.00 0.00 37.83 32.78 2k46 s LYS 159 CO 0.02 0.20 0.47 0.41 0.10 0.00 0.00 175.35 176.54 2k46 n GLY 160 N 0.15 -0.88 0.88 0.59 0.00 -1.23 -4.92 105.19 99.78 2k46 n GLY 160 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2k46 n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k46 n TYR 161 N -2.09 -0.39 -3.69 1.61 4.01 -1.26 -5.03 117.16 110.31 2k46 n TYR 161 Ca -0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.58 2k46 n TYR 161 Cb 0.48 0.22 -0.07 0.00 -0.31 0.00 0.00 39.34 39.66 2k46 n TYR 161 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2k46 s TYR 162 N -0.44 -0.24 -0.31 -0.72 2.02 -1.26 -5.04 117.35 111.36 2k46 s TYR 162 Ca 0.00 0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.87 2k46 s TYR 162 Cb 0.00 0.18 0.01 0.00 -0.40 0.00 0.00 41.96 41.75 2k46 s TYR 162 CO 0.00 -0.53 0.20 -0.25 -1.57 0.00 0.00 175.55 173.40 2k46 n ASP 163 N 0.69 -7.69 -4.26 2.29 8.00 -1.26 -4.95 116.55 109.36 2k46 n ASP 163 Ca -0.19 0.98 -0.33 0.00 0.71 0.00 0.00 54.79 55.96 2k46 n ASP 163 Cb 0.59 -4.65 0.17 0.00 -0.02 0.00 0.00 41.12 37.21 2k46 n ASP 163 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k46 n ASN 164 N 0.47 -2.39 -4.40 -2.24 2.85 -1.26 -4.53 115.26 103.75 2k46 n ASN 164 Ca 0.03 -0.13 -0.48 0.00 -0.11 0.00 0.00 54.58 53.88 2k46 n ASN 164 Cb 0.23 -0.93 -0.14 0.00 1.24 0.00 0.00 39.78 40.18 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2k46 n PRO 165 N -1.94 0.02 0.19 1.20 -0.02 -1.26 -4.81 135.00 128.39 2k46 n PRO 165 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.34 2k46 n PRO 165 Cb 0.63 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k46 h LYS 166 N 10.92 -0.68 -5.55 -0.52 1.63 -1.79 -3.42 116.57 117.17 2k46 h LYS 166 Ca -0.07 0.05 -0.65 0.00 -0.85 0.00 0.00 60.65 59.13 2k46 h LYS 166 Cb 1.35 0.15 -0.17 0.00 -0.60 0.00 0.00 32.23 32.97 2k46 h LYS 166 CO 1.27 -0.45 -0.61 0.08 -3.45 0.00 0.00 179.45 176.28 2k46 s VAL 167 N -5.98 4.37 -0.03 2.00 1.01 -0.97 -4.22 120.40 116.58 2k46 s VAL 167 Ca -0.17 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2k46 s VAL 167 Cb 0.06 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2k46 s VAL 167 CO 0.63 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 176.23 2k46 n ALA 169 N 3.84 4.90 -1.63 0.00 0.00 -0.13 -0.31 120.51 127.19 2k46 n ALA 169 Ca -0.24 -3.71 -0.53 0.00 0.00 0.00 0.00 53.44 48.96 2k46 n ALA 169 Cb 0.52 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.77 1.90 -3.55 0.00 7.94 0.53 -3.03 117.00 120.03 2k46 n LEU 170 Ca 0.42 1.10 -0.20 0.00 -1.11 0.00 0.00 56.01 56.22 2k46 n LEU 170 Cb 0.93 -1.19 -0.14 0.00 0.53 0.00 0.00 43.42 43.55 2k46 n LEU 170 CO 0.36 -0.85 -0.24 0.12 -1.11 0.00 0.00 177.39 175.66 2k46 s PHE 171 N 1.34 -0.13 -0.19 1.96 5.36 -0.66 0.03 117.98 125.70 2k46 s PHE 171 Ca 0.88 0.11 -0.03 0.00 -0.96 0.00 0.00 56.93 56.93 2k46 s PHE 171 Cb -0.97 -0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 2k46 s PHE 171 CO 0.52 -0.54 -0.05 -1.50 -1.46 0.00 0.00 175.22 172.18 2k46 s ILE 172 N 2.27 3.46 0.37 3.12 2.07 -0.20 -1.89 121.20 130.40 2k46 s ILE 172 Ca 0.05 -0.48 0.08 0.00 -1.41 0.00 0.00 60.65 58.89 2k46 s ILE 172 Cb -0.15 -2.54 -0.06 0.00 0.13 0.00 0.00 42.46 39.84 2k46 s ILE 172 CO -0.10 0.45 0.06 0.00 -1.91 0.00 0.00 174.94 173.44 2k46 s MET 173 N 1.04 2.12 -0.05 3.50 0.00 -1.09 -2.76 119.30 122.06 2k46 s MET 173 Ca 0.01 -1.81 0.05 0.00 0.00 0.00 0.00 55.69 53.94 2k46 s MET 173 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 34.83 32.75 2k46 s MET 173 CO 0.00 0.04 -0.21 0.21 0.00 0.00 0.00 175.02 175.07 2k46 s LYS 174 N -3.77 2.51 0.00 3.16 2.20 -0.92 -2.71 119.74 120.21 2k46 s LYS 174 Ca 0.37 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2k46 s LYS 174 Cb 0.02 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2k46 s LYS 174 CO 0.20 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 2k46 n GLY 175 N 2.68 3.01 0.00 5.54 0.00 0.51 -4.79 105.19 112.14 2k46 n GLY 175 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.18 -2.88 114.28 111.69 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 -1.95 -3.31 119.26 121.65 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 -0.25 0.00 0.00 0.00 179.25 179.51 2k46 n ASP 178 N -2.97 0.00 -0.03 0.00 8.00 -1.26 -3.22 116.55 117.06 2k46 n ASP 178 Ca -0.02 0.13 -0.00 0.00 0.71 0.00 0.00 54.79 55.61 2k46 n ASP 178 Cb 0.70 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2k46 n ASP 178 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2k46 h ASP 179 N 0.00 0.00 -0.16 -2.24 3.32 -1.99 -3.45 116.42 111.90 2k46 h ASP 179 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2k46 h ASP 179 Cb 0.08 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.55 2k46 h ASP 179 CO 0.00 0.33 1.70 0.55 -1.72 0.00 0.00 179.24 180.11 2k46 n VAL 180 N -3.75 -0.00 -1.59 -1.35 3.14 -1.20 -4.81 118.33 108.76 2k46 n VAL 180 Ca -0.01 -0.08 -0.46 0.00 -2.96 0.00 0.00 64.34 60.83 2k46 n VAL 180 Cb 0.02 -0.73 -0.03 0.00 -1.06 0.00 0.00 33.84 32.04 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k46 n PRO 181 N 8.45 1.35 -3.62 1.45 -0.02 -1.26 -4.99 135.00 136.35 2k46 n PRO 181 Ca 0.62 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 62.34 2k46 n PRO 181 Cb 0.07 -1.93 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 2k46 n PRO 181 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2k46 s MET 182 N -0.93 0.03 0.42 -0.52 1.75 -1.26 -5.13 119.30 113.64 2k46 s MET 182 Ca 0.66 0.07 -0.24 0.00 -1.25 0.00 0.00 55.69 54.93 2k46 s MET 182 Cb -0.76 -1.42 -0.11 0.00 2.84 0.00 0.00 34.83 35.38 2k46 s MET 182 CO 0.56 -0.57 0.87 1.47 -0.65 0.00 0.00 175.02 176.69 2k46 n LEU 183 N 5.29 1.81 -4.41 4.11 -0.00 -1.26 -5.01 117.00 117.53 2k46 n LEU 183 Ca -0.06 1.00 -0.29 0.00 -0.00 0.00 0.00 56.01 56.66 2k46 n LEU 183 Cb 0.49 -1.28 -0.13 0.00 -0.00 0.00 0.00 43.42 42.51 2k46 n LEU 183 CO 0.09 -1.91 -0.56 -1.10 -0.00 0.00 0.00 177.39 173.91 2k46 s GLN 184 N -1.88 1.46 -0.19 1.47 -1.52 -1.26 -5.08 119.66 112.66 2k46 s GLN 184 Ca 0.64 -1.32 -0.41 0.00 -1.95 0.00 0.00 55.36 52.31 2k46 s GLN 184 Cb -0.58 -1.94 -0.18 0.00 -0.22 0.00 0.00 33.01 30.10 2k46 s GLN 184 CO 0.57 0.45 1.47 -2.30 -0.25 0.00 0.00 175.29 175.24 2k46 n PRO 185 N 0.89 0.61 -4.50 2.91 -0.02 -1.26 -4.97 135.00 128.65 2k46 n PRO 185 Ca -0.18 0.22 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 2k46 n PRO 185 Cb 0.53 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 2k46 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2k46 s HIS 186 N 1.96 1.09 0.10 6.00 2.46 -1.26 -5.05 115.29 120.58 2k46 s HIS 186 Ca 0.95 -0.25 -0.10 0.00 0.47 0.00 0.00 55.06 56.14 2k46 s HIS 186 Cb -1.20 -0.73 -0.18 0.00 -0.13 0.00 0.00 32.58 30.34 2k46 s HIS 186 CO 0.64 -0.07 1.23 -1.00 -2.47 0.00 0.00 174.74 173.07 2k46 h PRO 187 N 6.11 0.56 -5.71 2.88 0.13 -2.09 -3.49 132.00 130.40 2k46 h PRO 187 Ca -0.33 -0.63 -0.09 0.00 -0.87 0.00 0.00 66.00 64.09 2k46 h PRO 187 Cb 1.17 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2k46 h PRO 187 CO 0.49 1.24 -0.88 0.41 -0.23 0.00 0.00 178.00 179.03 2k46 n GLY 188 N 1.07 -1.58 3.64 1.56 0.00 -1.26 -4.82 105.19 103.79 2k46 n GLY 188 Ca -0.09 0.82 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.04 4.09 0.00 0.99 1.43 -1.26 -5.36 118.68 116.54 2k46 s LEU 189 Ca 0.17 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 2k46 s LEU 189 Cb -0.03 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2k46 s LEU 189 CO 0.67 -1.19 0.14 -0.62 0.23 0.00 0.00 176.35 175.57