#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0e s LEU 27 N 0.00 4.42 0.10 3.17 1.43 -0.84 -4.92 118.68 122.04 1n0e s LEU 27 Ca 0.00 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1n0e s LEU 27 Cb 0.00 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1n0e s LEU 27 CO 0.00 -0.85 -0.14 -0.76 0.23 0.00 0.00 176.35 174.83 1n0e s LEU 28 N 3.02 2.34 0.00 1.79 1.43 -1.26 0.15 118.68 126.15 1n0e s LEU 28 Ca 0.25 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1n0e s LEU 28 Cb -0.14 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1n0e s LEU 28 CO 0.20 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1n0e n GLY 29 N 0.90 1.42 3.28 -3.19 0.00 -1.26 -4.50 105.19 101.84 1n0e n GLY 29 Ca -0.18 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 1n0e n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0e s THR 30 N -1.73 2.00 -0.03 2.61 2.01 -1.26 0.76 115.64 120.00 1n0e s THR 30 Ca 0.00 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 60.95 1n0e s THR 30 Cb 0.00 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1n0e s THR 30 CO 0.00 0.56 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.11 1n0e s PHE 31 N -0.37 0.48 -0.27 4.92 0.08 0.29 -4.95 117.98 118.16 1n0e s PHE 31 Ca 0.03 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 1n0e s PHE 31 Cb -0.12 -0.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1n0e s PHE 31 CO 0.01 -0.12 0.10 -0.80 -0.10 0.00 0.00 175.22 174.32 1n0e s ASN 32 N 0.70 5.33 0.26 1.36 0.01 -1.26 0.61 114.94 121.95 1n0e s ASN 32 Ca -0.08 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1n0e s ASN 32 Cb -0.11 -1.96 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1n0e s ASN 32 CO -0.01 -0.08 0.17 0.27 -1.51 0.00 0.00 177.10 175.94 1n0e s ILE 33 N 1.63 0.11 0.07 0.60 -4.36 -0.16 -4.99 121.20 114.10 1n0e s ILE 33 Ca 0.06 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1n0e s ILE 33 Cb -0.16 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 1n0e s ILE 33 CO 0.05 0.00 -0.03 -0.89 0.24 0.00 0.00 174.94 174.31 1n0e s THR 34 N -3.85 3.87 -0.15 8.37 2.01 -1.26 0.16 115.64 124.79 1n0e s THR 34 Ca 0.39 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1n0e s THR 34 Cb 0.06 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1n0e s THR 34 CO 0.17 0.18 0.85 -0.22 -0.69 0.00 0.00 174.62 174.91 1n0e s LEU 35 N -2.09 4.20 1.04 4.42 2.96 -1.26 -4.70 118.68 123.25 1n0e s LEU 35 Ca 0.23 1.23 -0.15 0.00 -0.22 0.00 0.00 54.13 55.22 1n0e s LEU 35 Cb -0.11 -3.27 0.10 0.00 0.50 0.00 0.00 46.19 43.40 1n0e s LEU 35 CO 0.15 -0.38 0.34 -0.67 -1.32 0.00 0.00 176.35 174.46 1n0e n ASP 36 N 5.07 -2.03 0.21 3.68 2.03 0.18 -4.81 116.55 120.88 1n0e n ASP 36 Ca 0.05 0.09 0.10 0.00 0.52 0.00 0.00 54.79 55.55 1n0e n ASP 36 Cb 0.49 -1.12 0.33 0.00 -0.72 0.00 0.00 41.12 40.10 1n0e n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n0e h ALA 37 N -1.91 0.93 -0.53 -1.67 0.00 -1.95 -2.54 119.26 111.59 1n0e h ALA 37 Ca -0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1n0e h ALA 37 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1n0e h ALA 37 CO 0.38 0.25 0.02 1.63 0.00 0.00 0.00 179.25 181.53 1n0e n LYS 38 N -3.24 4.42 -3.34 0.00 5.02 -1.26 -4.93 118.16 114.83 1n0e n LYS 38 Ca 0.01 -3.11 -0.18 0.00 -2.02 0.00 0.00 58.31 53.01 1n0e n LYS 38 Cb 0.50 -2.19 0.06 0.00 -0.02 0.00 0.00 35.03 33.38 1n0e n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0e n ASN 39 N 0.32 -5.32 -4.49 4.39 5.03 -0.95 -4.83 115.26 109.41 1n0e n ASN 39 Ca 0.28 -0.41 -0.24 0.00 0.87 0.00 0.00 54.58 55.08 1n0e n ASN 39 Cb 1.16 -3.97 -0.10 0.00 -1.02 0.00 0.00 39.78 35.86 1n0e n ASN 39 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1n0e s ARG 40 N -5.99 1.74 -0.02 3.52 0.52 -1.26 -1.13 118.95 116.33 1n0e s ARG 40 Ca 0.44 -1.72 0.03 0.00 -0.52 0.00 0.00 55.73 53.96 1n0e s ARG 40 Cb -0.20 -1.82 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 1n0e s ARG 40 CO 0.56 0.34 -0.10 0.96 0.02 0.00 0.00 175.30 177.07 1n0e s ILE 41 N -2.45 0.83 -0.28 1.52 -4.36 -0.49 0.47 121.20 116.45 1n0e s ILE 41 Ca 0.30 -0.42 -0.21 0.00 -0.26 0.00 0.00 60.65 60.05 1n0e s ILE 41 Cb -0.05 -0.72 -0.01 0.00 1.25 0.00 0.00 42.46 42.93 1n0e s ILE 41 CO 0.15 0.25 0.67 -0.44 0.24 0.00 0.00 174.94 175.81 1n0e s SER 42 N -0.04 6.59 0.14 4.36 0.01 -1.26 -1.04 113.70 122.45 1n0e s SER 42 Ca 0.01 0.64 -0.31 0.00 1.31 0.00 0.00 55.95 57.60 1n0e s SER 42 Cb -0.06 -2.35 -0.10 0.00 0.21 0.00 0.00 66.02 63.71 1n0e s SER 42 CO 0.00 -0.46 1.75 -0.76 0.41 0.00 0.00 173.24 174.18 1n0e s LEU 43 N 2.64 4.38 0.10 2.44 1.43 -0.02 -4.87 118.68 124.78 1n0e s LEU 43 Ca 0.28 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.98 1n0e s LEU 43 Cb -0.15 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.55 1n0e s LEU 43 CO 0.10 -0.96 0.78 -2.65 0.23 0.00 0.00 176.35 173.86 1n0e n PRO 44 N 5.14 -0.17 0.00 1.29 -0.02 -1.26 -4.63 135.00 135.36 1n0e n PRO 44 Ca 0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1n0e n PRO 44 Cb 0.38 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1n0e n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n0e n ALA 45 N -3.68 0.00 0.13 3.55 0.00 -1.26 -4.83 120.51 114.41 1n0e n ALA 45 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.64 1n0e n ALA 45 Cb 0.17 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.35 1n0e n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n0e h LYS 46 N 0.00 0.00 0.17 0.00 1.57 -2.02 -1.98 116.57 114.30 1n0e h LYS 46 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1n0e h LYS 46 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.33 1n0e h LYS 46 CO 0.00 0.00 -1.21 -0.07 -0.57 0.00 0.00 179.45 177.60 1n0e h LEU 47 N 0.00 0.55 -1.11 2.94 4.07 -1.90 -3.34 115.31 116.53 1n0e h LEU 47 Ca 0.14 -0.92 0.27 0.00 0.08 0.00 0.00 57.88 57.45 1n0e h LEU 47 Cb 0.63 -0.18 -0.12 0.00 1.08 0.00 0.00 40.66 42.07 1n0e h LEU 47 CO -0.00 1.56 0.62 0.03 -1.08 0.00 0.00 178.44 179.57 1n0e h ARG 48 N -0.19 0.48 -0.53 1.13 3.08 -1.62 0.27 114.38 117.00 1n0e h ARG 48 Ca -0.23 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.90 1n0e h ARG 48 Cb 1.84 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 31.69 1n0e h ARG 48 CO 0.16 0.31 -0.10 0.00 -1.07 0.00 0.00 179.97 179.28 1n0e h ALA 49 N 1.71 0.39 -0.96 0.04 0.00 -1.65 -1.81 119.26 116.98 1n0e h ALA 49 Ca 0.65 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.80 1n0e h ALA 49 Cb 1.39 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1n0e h ALA 49 CO -0.44 -0.43 0.63 0.35 0.00 0.00 0.00 179.25 179.36 1n0e h PHE 50 N 0.03 1.17 -3.14 0.00 3.57 -0.64 -3.43 116.94 114.50 1n0e h PHE 50 Ca 0.26 0.03 -0.55 0.00 3.53 0.00 0.00 57.97 61.24 1n0e h PHE 50 Cb 0.40 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1n0e h PHE 50 CO -0.42 0.66 -0.24 -0.06 -2.23 0.00 0.00 178.31 176.02 1n0e s PHE 51 N -6.02 3.47 0.00 0.41 0.08 -0.68 -5.00 117.98 110.25 1n0e s PHE 51 Ca -0.12 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1n0e s PHE 51 Cb 0.19 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1n0e s PHE 51 CO 0.81 0.32 0.00 -1.91 -0.10 0.00 0.00 175.22 174.34 1n0e n GLU 52 N -0.41 0.00 -0.08 0.44 4.07 -1.26 -4.90 120.64 118.50 1n0e n GLU 52 Ca -0.02 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.14 1n0e n GLU 52 Cb 0.53 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.02 1n0e n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n0e n GLY 53 N 5.00 1.02 3.08 8.31 0.00 -1.26 -4.83 105.19 116.51 1n0e n GLY 53 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1n0e n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n0e s SER 54 N -1.08 0.03 0.13 1.61 0.15 -1.26 0.08 113.70 113.36 1n0e s SER 54 Ca 0.21 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 1n0e s SER 54 Cb 0.13 0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1n0e s SER 54 CO 0.18 -0.33 0.11 0.27 1.20 0.00 0.00 173.24 174.68 1n0e s ILE 55 N -1.23 0.11 -0.06 6.45 -5.25 -0.00 -4.43 121.20 116.79 1n0e s ILE 55 Ca -0.13 -1.71 0.03 0.00 -0.99 0.00 0.00 60.65 57.84 1n0e s ILE 55 Cb -0.07 -1.88 -0.02 0.00 2.95 0.00 0.00 42.46 43.43 1n0e s ILE 55 CO 0.01 -0.50 -0.13 -0.69 -1.79 0.00 0.00 174.94 171.84 1n0e s VAL 56 N -4.00 3.12 -0.07 8.37 1.01 -0.37 -0.00 120.40 128.46 1n0e s VAL 56 Ca 0.19 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1n0e s VAL 56 Cb 0.06 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1n0e s VAL 56 CO -0.01 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1n0e n ILE 57 N 2.44 1.15 -1.42 2.22 3.06 0.46 -1.87 119.36 125.40 1n0e n ILE 57 Ca -0.17 0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 1n0e n ILE 57 Cb 0.52 -1.95 0.00 0.00 0.54 0.00 0.00 39.64 38.76 1n0e n ILE 57 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1n0e n ASN 58 N -3.83 -5.58 -4.75 9.51 0.23 -1.22 -3.01 115.26 106.61 1n0e n ASN 58 Ca -0.07 1.06 -0.40 0.00 -0.53 0.00 0.00 54.58 54.64 1n0e n ASN 58 Cb 0.28 -3.87 -0.05 0.00 -2.08 0.00 0.00 39.78 34.06 1n0e n ASN 58 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n0e s ARG 59 N -4.29 4.73 0.00 -3.83 1.70 -1.23 -1.23 118.95 114.81 1n0e s ARG 59 Ca 0.00 1.64 0.00 0.00 -0.47 0.00 0.00 55.73 56.90 1n0e s ARG 59 Cb 0.00 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 1n0e s ARG 59 CO 0.00 0.33 0.00 0.41 -1.08 0.00 0.00 175.30 174.96 1n0e n GLY 60 N 1.47 1.75 3.88 3.88 0.00 -1.26 -4.71 105.19 110.20 1n0e n GLY 60 Ca -0.01 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 1n0e n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n0e s PHE 61 N 1.23 3.43 -1.36 1.61 0.08 -1.26 -4.09 117.98 117.61 1n0e s PHE 61 Ca 0.00 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.89 1n0e s PHE 61 Cb 0.00 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1n0e s PHE 61 CO 0.00 0.28 0.00 0.39 -0.10 0.00 0.00 175.22 175.79 1n0e n GLU 62 N -0.16 -1.27 -3.13 0.44 4.71 -1.26 -3.62 120.64 116.35 1n0e n GLU 62 Ca 0.00 0.77 -0.13 0.00 -0.01 0.00 0.00 57.16 57.79 1n0e n GLU 62 Cb 0.52 -5.16 0.06 0.00 -1.01 0.00 0.00 31.44 25.86 1n0e n GLU 62 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n0e n ASN 63 N -1.04 -6.44 0.00 1.62 3.02 -1.26 -5.01 115.26 106.16 1n0e n ASN 63 Ca -0.19 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1n0e n ASN 63 Cb 0.64 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1n0e n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0e n LEU 65 N -0.57 -5.83 -4.69 0.00 4.32 -1.26 -1.91 117.00 107.05 1n0e n LEU 65 Ca 0.00 3.03 -0.27 0.00 -0.02 0.00 0.00 56.01 58.75 1n0e n LEU 65 Cb 0.00 -2.97 -0.07 0.00 -1.62 0.00 0.00 43.42 38.76 1n0e n LEU 65 CO 0.00 -1.46 -0.31 -1.61 -1.22 0.00 0.00 177.39 172.79 1n0e s GLU 66 N -1.07 2.52 -0.02 3.23 2.02 -0.36 -1.30 118.70 123.72 1n0e s GLU 66 Ca 0.00 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1n0e s GLU 66 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1n0e s GLU 66 CO 0.00 0.48 -0.09 0.08 0.02 0.00 0.00 175.26 175.74 1n0e s VAL 67 N -1.65 0.79 0.13 2.63 1.01 0.20 -4.14 120.40 119.37 1n0e s VAL 67 Ca 0.28 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 1n0e s VAL 67 Cb -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1n0e s VAL 67 CO 0.19 0.24 0.21 -0.13 0.00 0.00 0.00 175.10 175.62 1n0e s ARG 68 N 0.13 1.01 0.34 2.72 0.52 -0.78 -1.12 118.95 121.76 1n0e s ARG 68 Ca -0.02 -1.14 -0.25 0.00 -0.52 0.00 0.00 55.73 53.80 1n0e s ARG 68 Cb -0.08 0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.64 1n0e s ARG 68 CO 0.00 -0.34 0.96 0.15 0.02 0.00 0.00 175.30 176.09 1n0e s LYS 69 N -3.94 4.51 0.34 3.54 1.02 -1.26 -1.24 119.74 122.72 1n0e s LYS 69 Ca 0.14 1.33 0.13 0.00 0.02 0.00 0.00 55.97 57.59 1n0e s LYS 69 Cb 0.04 -2.72 0.99 0.00 -0.52 0.00 0.00 37.83 35.63 1n0e s LYS 69 CO -0.04 0.21 1.72 -1.35 -0.92 0.00 0.00 175.35 174.97 1n0e h PRO 70 N 3.00 0.45 -0.65 -1.68 0.11 -1.90 0.82 132.00 132.15 1n0e h PRO 70 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1n0e h PRO 70 Cb 1.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1n0e h PRO 70 CO 0.64 0.30 0.34 1.96 -0.21 0.00 0.00 178.00 181.04 1n0e h GLN 71 N 0.47 0.92 -0.12 1.05 7.50 -1.97 -0.42 115.11 122.54 1n0e h GLN 71 Ca 0.67 -0.12 -0.12 0.00 0.50 0.00 0.00 58.65 59.58 1n0e h GLN 71 Cb 1.44 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.78 1n0e h GLN 71 CO -0.47 0.70 -0.44 -0.44 -1.50 0.00 0.00 178.83 176.68 1n0e h ASP 72 N 0.89 0.29 -0.56 1.46 3.32 -1.27 -2.11 116.42 118.45 1n0e h ASP 72 Ca 0.23 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1n0e h ASP 72 Cb 0.07 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1n0e h ASP 72 CO -0.03 0.70 0.13 0.15 -1.72 0.00 0.00 179.24 178.47 1n0e h PHE 73 N 0.23 0.98 -0.28 4.55 3.57 -0.52 0.13 116.94 125.59 1n0e h PHE 73 Ca 0.02 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1n0e h PHE 73 Cb 0.87 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1n0e h PHE 73 CO 0.02 0.82 0.00 0.37 -2.23 0.00 0.00 178.31 177.29 1n0e h GLN 74 N 0.90 0.09 -0.25 1.11 5.75 -0.44 -0.39 115.11 121.87 1n0e h GLN 74 Ca 0.19 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.56 1n0e h GLN 74 Cb 0.34 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1n0e h GLN 74 CO 0.00 0.06 -0.35 0.87 -2.65 0.00 0.00 178.83 176.76 1n0e h LYS 75 N 0.09 0.56 -0.31 1.69 1.57 -0.93 -2.64 116.57 116.59 1n0e h LYS 75 Ca 0.13 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1n0e h LYS 75 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1n0e h LYS 75 CO -0.22 0.83 0.18 -0.92 -0.57 0.00 0.00 179.45 178.75 1n0e h TYR 76 N 0.47 0.43 -0.22 -1.35 3.20 -0.20 -2.96 116.97 116.33 1n0e h TYR 76 Ca 0.05 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1n0e h TYR 76 Cb 0.83 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1n0e h TYR 76 CO 0.03 0.33 0.12 0.35 -1.64 0.00 0.00 178.16 177.36 1n0e h PHE 77 N 0.40 0.23 0.00 -3.82 3.57 -0.98 -1.75 116.94 114.58 1n0e h PHE 77 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n0e h PHE 77 Cb 0.04 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1n0e h PHE 77 CO -0.03 0.14 0.16 0.93 -2.23 0.00 0.00 178.31 177.27 1n0e h GLU 78 N 0.26 0.00 0.00 1.11 5.08 -1.35 0.45 114.58 120.13 1n0e h GLU 78 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1n0e h GLU 78 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1n0e h GLU 78 CO -0.04 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.93 1n0e h GLN 79 N 0.00 0.00 0.19 2.33 4.20 -1.16 -3.12 115.11 117.55 1n0e h GLN 79 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1n0e h GLN 79 Cb 0.32 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.11 1n0e h GLN 79 CO 0.00 0.00 -1.59 0.74 -0.67 0.00 0.00 178.83 177.31 1n0e h PHE 80 N 0.00 0.73 0.00 2.96 0.04 -0.16 -3.31 116.94 117.21 1n0e h PHE 80 Ca 0.00 -0.54 0.00 0.00 2.80 0.00 0.00 57.97 60.23 1n0e h PHE 80 Cb 0.66 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1n0e h PHE 80 CO 0.00 1.55 0.00 0.09 -0.60 0.00 0.00 178.31 179.35 1n0e n ASN 81 N -3.60 0.00 -0.19 2.17 4.13 -1.18 0.66 115.26 117.26 1n0e n ASN 81 Ca -0.19 -0.07 0.12 0.00 1.68 0.00 0.00 54.58 56.12 1n0e n ASN 81 Cb 1.08 0.00 0.25 0.00 -1.54 0.00 0.00 39.78 39.56 1n0e n ASN 81 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n0e n SER 82 N -0.82 1.02 -4.81 6.41 3.41 -1.25 -4.84 113.62 112.74 1n0e n SER 82 Ca 0.01 -0.81 -0.38 0.00 -0.26 0.00 0.00 58.87 57.43 1n0e n SER 82 Cb 0.00 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1n0e n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n0e s PHE 83 N -2.68 3.65 0.00 7.33 0.08 0.21 -5.02 117.98 121.55 1n0e s PHE 83 Ca 0.18 0.86 0.00 0.00 0.12 0.00 0.00 56.93 58.10 1n0e s PHE 83 Cb 0.18 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 1n0e s PHE 83 CO 0.61 0.54 0.00 -2.30 -0.10 0.00 0.00 175.22 173.97 1n0e n PRO 84 N 2.31 0.00 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.48 1n0e n PRO 84 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1n0e n PRO 84 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1n0e n PRO 84 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n0e n SER 85 N -0.79 0.00 0.07 2.55 2.88 -1.26 -4.68 113.62 112.38 1n0e n SER 85 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1n0e n SER 85 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 1n0e n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n0e n THR 86 N -0.04 0.38 -3.10 2.46 -2.24 -1.26 -4.71 114.28 105.77 1n0e n THR 86 Ca 0.00 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 1n0e n THR 86 Cb 0.00 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 67.75 1n0e n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n0e s GLN 87 N -3.08 4.41 0.18 -0.78 -1.52 -1.26 -4.99 119.66 112.62 1n0e s GLN 87 Ca 0.11 0.85 -0.14 0.00 -1.95 0.00 0.00 55.36 54.23 1n0e s GLN 87 Cb 0.14 -3.39 0.18 0.00 -0.22 0.00 0.00 33.01 29.72 1n0e s GLN 87 CO 0.61 0.22 1.70 -0.22 -0.25 0.00 0.00 175.29 177.35 1n0e h LYS 88 N 6.15 0.16 -0.88 2.91 3.64 -2.01 -2.38 116.57 124.16 1n0e h LYS 88 Ca -0.43 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.03 1n0e h LYS 88 Cb 1.20 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 1n0e h LYS 88 CO 0.73 0.10 0.53 -0.44 -2.27 0.00 0.00 179.45 178.10 1n0e h ASP 89 N 0.16 0.79 -0.47 4.20 3.32 -1.97 -0.68 116.42 121.78 1n0e h ASP 89 Ca 0.24 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1n0e h ASP 89 Cb 0.34 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1n0e h ASP 89 CO -0.36 0.47 0.26 0.74 -1.72 0.00 0.00 179.24 178.63 1n0e h THR 90 N 0.91 1.02 -0.80 0.35 2.02 -1.80 0.83 112.91 115.44 1n0e h THR 90 Ca 0.41 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 1n0e h THR 90 Cb 0.30 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1n0e h THR 90 CO -0.22 0.09 0.33 0.03 0.37 0.00 0.00 175.52 176.12 1n0e h ARG 91 N 0.52 1.18 -0.21 6.66 3.08 -1.12 0.10 114.38 124.59 1n0e h ARG 91 Ca 0.19 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1n0e h ARG 91 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1n0e h ARG 91 CO -0.11 0.95 0.03 1.15 -1.07 0.00 0.00 179.97 180.93 1n0e h THR 92 N 1.15 1.22 -0.01 2.04 2.02 -0.60 -0.87 112.91 117.87 1n0e h THR 92 Ca 0.27 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1n0e h THR 92 Cb 0.20 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1n0e h THR 92 CO -0.02 0.23 -0.20 0.25 0.37 0.00 0.00 175.52 176.15 1n0e h LEU 93 N 0.14 -0.58 -1.61 2.58 5.85 -0.44 0.16 115.31 121.40 1n0e h LEU 93 Ca 0.06 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1n0e h LEU 93 Cb 0.31 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1n0e h LEU 93 CO 0.00 -0.26 0.29 0.11 -0.34 0.00 0.00 178.44 178.24 1n0e h LYS 94 N -0.31 0.50 0.04 1.25 1.57 -0.88 -1.43 116.57 117.30 1n0e h LYS 94 Ca 0.06 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 1n0e h LYS 94 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1n0e h LYS 94 CO -0.19 0.33 -1.01 0.00 -0.57 0.00 0.00 179.45 178.01 1n0e h ARG 95 N 0.52 0.16 0.00 3.15 3.08 -0.32 -2.01 114.38 118.96 1n0e h ARG 95 Ca 0.17 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1n0e h ARG 95 Cb 0.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n0e h ARG 95 CO -0.04 1.04 -0.45 -0.07 -1.07 0.00 0.00 179.97 179.38 1n0e h LEU 96 N 0.07 0.00 0.00 3.04 3.38 -0.19 -3.05 115.31 118.56 1n0e h LEU 96 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n0e h LEU 96 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1n0e h LEU 96 CO 0.15 0.45 -0.11 0.40 0.09 0.00 0.00 178.44 179.42 1n0e h ILE 97 N 0.00 0.00 0.00 1.22 2.04 -1.27 -3.38 117.51 116.12 1n0e h ILE 97 Ca -0.00 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1n0e h ILE 97 Cb 1.11 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1n0e h ILE 97 CO 0.06 0.00 -0.15 -0.26 0.00 0.00 0.00 178.15 177.79 1n0e h PHE 98 N -0.34 0.00 0.00 1.37 0.04 -1.54 -1.89 116.94 114.58 1n0e h PHE 98 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1n0e h PHE 98 Cb 0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1n0e h PHE 98 CO -0.05 0.15 -0.04 0.00 -0.60 0.00 0.00 178.31 177.78 1n0e h ALA 99 N 1.85 1.01 -0.25 2.45 0.00 -1.70 -2.81 119.26 119.81 1n0e h ALA 99 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1n0e h ALA 99 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1n0e h ALA 99 CO 0.02 0.05 -0.03 0.09 0.00 0.00 0.00 179.25 179.39 1n0e n ASN 100 N -3.16 3.24 -4.85 0.00 3.02 -0.73 -4.99 115.26 107.79 1n0e n ASN 100 Ca 0.00 -3.25 -0.28 0.00 -0.03 0.00 0.00 54.58 51.02 1n0e n ASN 100 Cb 0.33 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1n0e n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0e s ALA 101 N -2.96 3.75 0.04 5.41 0.00 -1.06 -3.44 121.76 123.49 1n0e s ALA 101 Ca 0.41 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 1n0e s ALA 101 Cb 0.35 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.93 1n0e s ALA 101 CO 0.05 0.65 0.42 -0.80 0.00 0.00 0.00 175.76 176.09 1n0e s ASN 102 N -2.79 -0.30 -0.02 0.00 -0.87 -1.26 -4.78 114.94 104.92 1n0e s ASN 102 Ca 0.32 0.02 -0.18 0.00 -1.57 0.00 0.00 52.86 51.44 1n0e s ASN 102 Cb -0.12 0.43 -0.05 0.00 -0.02 0.00 0.00 41.25 41.49 1n0e s ASN 102 CO 0.25 -0.66 0.52 -0.36 -2.57 0.00 0.00 177.10 174.27 1n0e s PHE 103 N -2.45 3.67 -0.04 2.20 0.08 -1.26 -0.41 117.98 119.78 1n0e s PHE 103 Ca -0.05 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1n0e s PHE 103 Cb -0.01 -2.50 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1n0e s PHE 103 CO -0.02 0.41 -0.02 0.08 -0.10 0.00 0.00 175.22 175.58 1n0e s VAL 104 N -0.35 0.32 0.16 -0.44 1.01 1.00 -4.96 120.40 117.14 1n0e s VAL 104 Ca 0.28 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 1n0e s VAL 104 Cb -0.17 -0.40 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 1n0e s VAL 104 CO 0.15 0.18 0.88 -1.81 0.00 0.00 0.00 175.10 174.50 1n0e s ASP 105 N 1.06 7.48 -0.35 3.32 1.01 -1.26 -0.82 116.67 127.11 1n0e s ASP 105 Ca -0.09 1.76 -0.22 0.00 0.71 0.00 0.00 52.55 54.70 1n0e s ASP 105 Cb -0.14 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.24 1n0e s ASP 105 CO -0.01 0.10 0.74 -0.69 0.21 0.00 0.00 175.17 175.51 1n0e s VAL 106 N -0.72 4.79 1.23 -1.27 1.01 0.11 -4.58 120.40 120.97 1n0e s VAL 106 Ca 0.41 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 1n0e s VAL 106 Cb -0.24 -4.16 0.30 0.00 0.00 0.00 0.00 36.38 32.28 1n0e s VAL 106 CO 0.29 -0.38 1.03 1.51 0.00 0.00 0.00 175.10 177.55 1n0e s ASP 107 N 1.80 0.55 0.42 3.32 3.84 -0.40 -4.78 116.67 121.42 1n0e s ASP 107 Ca 0.29 0.98 0.17 0.00 -0.00 0.00 0.00 52.55 54.00 1n0e s ASP 107 Cb -0.14 -1.46 1.08 0.00 -1.38 0.00 0.00 42.92 41.03 1n0e s ASP 107 CO 0.16 -4.39 1.88 0.71 -0.00 0.00 0.00 175.17 173.52 1n0e h THR 108 N -2.76 0.71 -0.14 2.11 1.35 -1.96 -0.14 112.91 112.08 1n0e h THR 108 Ca -0.50 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1n0e h THR 108 Cb 1.33 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1n0e h THR 108 CO 0.40 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 1n0e n ALA 109 N -2.52 2.52 -0.99 6.62 0.00 -1.26 -4.89 120.51 119.99 1n0e n ALA 109 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1n0e n ALA 109 Cb 0.65 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1n0e n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0e n GLY 110 N 0.93 0.47 3.86 0.00 0.00 -0.06 -4.81 105.19 105.56 1n0e n GLY 110 Ca 0.12 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1n0e n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0e s ARG 111 N -0.63 3.94 -0.07 1.61 0.52 -1.26 -0.84 118.95 122.22 1n0e s ARG 111 Ca 0.00 0.51 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 1n0e s ARG 111 Cb 0.00 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1n0e s ARG 111 CO 0.00 0.27 -0.14 0.08 0.02 0.00 0.00 175.30 175.53 1n0e s VAL 112 N -1.83 1.30 -0.31 3.52 1.01 -0.20 -1.28 120.40 122.61 1n0e s VAL 112 Ca 0.49 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 1n0e s VAL 112 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1n0e s VAL 112 CO 0.19 0.39 0.50 -0.22 0.00 0.00 0.00 175.10 175.97 1n0e s LEU 113 N 0.58 4.22 -0.09 3.92 0.20 -1.26 -1.40 118.68 124.84 1n0e s LEU 113 Ca -0.15 0.18 -0.26 0.00 0.69 0.00 0.00 54.13 54.59 1n0e s LEU 113 Cb -0.16 -2.60 -0.03 0.00 -0.43 0.00 0.00 46.19 42.98 1n0e s LEU 113 CO 0.05 -0.39 0.83 -0.63 -0.29 0.00 0.00 176.35 175.91 1n0e s ILE 114 N 2.34 4.93 0.60 6.68 1.01 -0.28 -4.98 121.20 131.50 1n0e s ILE 114 Ca 0.19 1.69 -0.19 0.00 0.00 0.00 0.00 60.65 62.34 1n0e s ILE 114 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1n0e s ILE 114 CO 0.12 0.13 1.13 -2.65 0.00 0.00 0.00 174.94 173.67 1n0e n PRO 115 N 4.43 1.11 -0.06 2.79 -0.02 -1.26 -4.75 135.00 137.25 1n0e n PRO 115 Ca 0.03 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1n0e n PRO 115 Cb 0.50 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1n0e n PRO 115 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1n0e h ASN 116 N 0.70 -1.42 -0.73 2.55 2.35 -1.98 -0.39 115.58 116.66 1n0e h ASN 116 Ca -0.49 0.20 0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1n0e h ASN 116 Cb 1.35 0.59 -0.10 0.00 0.05 0.00 0.00 38.32 40.21 1n0e h ASN 116 CO 0.53 -0.41 0.22 -0.55 -1.65 0.00 0.00 177.43 175.57 1n0e h ASN 117 N -0.43 0.11 0.24 5.81 -0.00 -2.00 -0.59 115.58 118.73 1n0e h ASN 117 Ca 0.09 0.13 -0.14 0.00 -0.00 0.00 0.00 56.30 56.38 1n0e h ASN 117 Cb 0.61 0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 39.08 1n0e h ASN 117 CO -0.48 0.01 -0.56 -0.07 -0.00 0.00 0.00 177.43 176.34 1n0e h LEU 118 N 0.33 0.37 -0.52 6.14 4.07 -1.75 -0.55 115.31 123.39 1n0e h LEU 118 Ca 0.41 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.18 1n0e h LEU 118 Cb 0.67 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1n0e h LEU 118 CO -0.46 0.85 0.34 0.40 -1.08 0.00 0.00 178.44 178.49 1n0e h ILE 119 N 0.26 1.13 -0.19 1.22 1.08 0.43 -1.68 117.51 119.77 1n0e h ILE 119 Ca 0.00 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 64.17 1n0e h ILE 119 Cb 1.06 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1n0e h ILE 119 CO 0.09 0.13 -0.12 0.78 -0.69 0.00 0.00 178.15 178.34 1n0e h ASN 120 N 0.70 0.43 -0.82 1.72 2.35 -1.15 0.46 115.58 119.27 1n0e h ASN 120 Ca 0.19 -0.43 0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1n0e h ASN 120 Cb -0.08 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.12 1n0e h ASN 120 CO -0.04 0.77 0.53 0.44 -1.65 0.00 0.00 177.43 177.48 1n0e h ASP 121 N 0.09 0.68 -0.40 5.81 3.32 -0.86 -1.14 116.42 123.91 1n0e h ASP 121 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1n0e h ASP 121 Cb 0.62 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1n0e h ASP 121 CO 0.03 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 1n0e n ALA 122 N -2.44 2.43 -3.60 3.45 0.00 -0.65 -4.79 120.51 114.91 1n0e n ALA 122 Ca 0.14 -0.92 -0.27 0.00 0.00 0.00 0.00 53.44 52.39 1n0e n ALA 122 Cb 0.34 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1n0e n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n0e n LYS 123 N 1.23 -4.60 -2.25 0.00 4.76 -0.43 -4.33 118.16 112.54 1n0e n LYS 123 Ca 0.19 0.59 -0.42 0.00 -2.87 0.00 0.00 58.31 55.80 1n0e n LYS 123 Cb 0.53 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 28.28 1n0e n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n0e s LEU 124 N -6.92 4.31 0.00 -0.35 1.02 0.06 -4.81 118.68 111.99 1n0e s LEU 124 Ca 0.53 2.08 0.00 0.00 0.02 0.00 0.00 54.13 56.75 1n0e s LEU 124 Cb -0.27 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.38 1n0e s LEU 124 CO 0.65 -0.71 0.00 -0.67 0.02 0.00 0.00 176.35 175.64 1n0e n ASP 125 N 5.40 0.00 -3.74 2.29 2.03 -1.26 -4.82 116.55 116.45 1n0e n ASP 125 Ca 0.13 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.31 1n0e n ASP 125 Cb 0.44 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.73 1n0e n ASP 125 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1n0e s LYS 126 N 0.00 0.38 0.00 -0.67 2.20 -1.26 -4.63 119.74 115.76 1n0e s LYS 126 Ca 0.00 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1n0e s LYS 126 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1n0e s LYS 126 CO 0.00 -0.08 0.00 0.39 -0.36 0.00 0.00 175.35 175.30 1n0e n GLU 127 N 3.25 0.00 -4.22 4.03 1.02 -1.26 -4.81 120.64 118.66 1n0e n GLU 127 Ca -0.16 0.34 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 1n0e n GLU 127 Cb 0.57 -0.68 -0.07 0.00 -0.02 0.00 0.00 31.44 31.24 1n0e n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n0e s ILE 128 N 0.00 3.76 -0.13 -3.67 -1.09 0.42 -1.76 121.20 118.73 1n0e s ILE 128 Ca 0.00 -1.59 0.00 0.00 -2.23 0.00 0.00 60.65 56.83 1n0e s ILE 128 Cb 0.00 -2.96 0.02 0.00 -1.58 0.00 0.00 42.46 37.94 1n0e s ILE 128 CO 0.00 -0.25 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.66 1n0e s VAL 129 N -2.01 1.31 -0.20 2.92 1.01 0.01 -0.98 120.40 122.46 1n0e s VAL 129 Ca 0.30 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1n0e s VAL 129 Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1n0e s VAL 129 CO 0.20 0.42 0.07 -0.76 0.00 0.00 0.00 175.10 175.03 1n0e s LEU 130 N 1.55 3.77 -0.07 3.92 1.43 0.20 -0.57 118.68 128.90 1n0e s LEU 130 Ca 0.04 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1n0e s LEU 130 Cb -0.13 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1n0e s LEU 130 CO -0.09 0.13 -0.21 0.27 0.23 0.00 0.00 176.35 176.68 1n0e s ILE 131 N 0.64 1.81 0.03 -0.59 -4.36 -0.81 0.11 121.20 118.02 1n0e s ILE 131 Ca 0.04 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.22 1n0e s ILE 131 Cb -0.13 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1n0e s ILE 131 CO 0.01 0.51 0.99 -0.83 0.24 0.00 0.00 174.94 175.86 1n0e s GLY 132 N 0.14 2.89 -0.26 6.27 0.00 0.23 -1.73 107.32 114.86 1n0e s GLY 132 Ca -0.10 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.28 1n0e s GLY 132 CO 0.05 1.67 1.29 -1.06 0.00 0.00 0.00 173.10 175.05 1n0e n GLN 133 N 3.67 2.20 0.00 2.90 1.13 0.64 -4.25 117.38 123.66 1n0e n GLN 133 Ca 0.05 -3.51 0.00 0.00 -1.94 0.00 0.00 57.00 51.60 1n0e n GLN 133 Cb 0.50 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1n0e n GLN 133 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1n0e n PHE 134 N -1.01 0.00 -0.05 1.08 7.35 0.40 -3.53 117.46 121.70 1n0e n PHE 134 Ca 0.30 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.87 1n0e n PHE 134 Cb 0.83 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.60 1n0e n PHE 134 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1n0e h ASP 135 N 0.00 0.26 -3.48 -2.13 3.32 -1.95 -2.24 116.42 110.21 1n0e h ASP 135 Ca 0.00 -0.34 -0.24 0.00 0.02 0.00 0.00 57.03 56.46 1n0e h ASP 135 Cb 0.00 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 1n0e h ASP 135 CO 0.00 0.54 -0.22 0.00 -1.72 0.00 0.00 179.24 177.85 1n0e n HIS 136 N -4.73 -0.13 -4.49 4.55 1.44 -1.23 -4.79 115.22 105.84 1n0e n HIS 136 Ca -0.06 -1.26 -0.22 0.00 -2.01 0.00 0.00 57.72 54.17 1n0e n HIS 136 Cb 0.24 0.06 -0.14 0.00 0.12 0.00 0.00 29.99 30.27 1n0e n HIS 136 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1n0e s LEU 137 N 0.00 2.15 -0.04 2.39 0.20 -0.28 -0.26 118.68 122.84 1n0e s LEU 137 Ca 0.14 -0.45 0.06 0.00 0.69 0.00 0.00 54.13 54.57 1n0e s LEU 137 Cb 0.01 -0.74 -0.02 0.00 -0.43 0.00 0.00 46.19 45.00 1n0e s LEU 137 CO 0.10 0.09 -0.20 -1.61 -0.29 0.00 0.00 176.35 174.44 1n0e s GLU 138 N -1.03 2.32 -0.25 1.98 2.02 -0.71 0.59 118.70 123.62 1n0e s GLU 138 Ca 0.04 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 1n0e s GLU 138 Cb -0.08 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 1n0e s GLU 138 CO 0.01 0.59 0.06 0.42 0.02 0.00 0.00 175.26 176.36 1n0e s ILE 139 N -0.66 4.15 0.21 -1.63 1.01 -0.42 -1.93 121.20 121.92 1n0e s ILE 139 Ca 0.10 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.56 1n0e s ILE 139 Cb -0.10 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1n0e s ILE 139 CO -0.00 0.30 -0.21 0.26 0.00 0.00 0.00 174.94 175.29 1n0e s TRP 140 N 1.58 2.14 -0.03 3.97 0.52 0.26 -4.11 118.94 123.28 1n0e s TRP 140 Ca 0.06 -0.39 -0.29 0.00 0.02 0.00 0.00 56.10 55.49 1n0e s TRP 140 Cb -0.15 -1.03 -0.03 0.00 -1.15 0.00 0.00 33.47 31.11 1n0e s TRP 140 CO 0.03 0.50 0.96 0.34 0.02 0.00 0.00 176.95 178.79 1n0e s ASP 141 N -2.89 7.31 0.23 2.95 2.15 -1.26 -0.81 116.67 124.36 1n0e s ASP 141 Ca 0.22 1.59 -0.09 0.00 0.43 0.00 0.00 52.55 54.69 1n0e s ASP 141 Cb -0.06 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.37 1n0e s ASP 141 CO 0.10 -0.29 1.63 0.50 -0.17 0.00 0.00 175.17 176.94 1n0e h LYS 142 N 6.86 0.06 0.75 4.34 3.64 -1.64 -1.16 116.57 129.43 1n0e h LYS 142 Ca -0.39 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1n0e h LYS 142 Cb 1.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1n0e h LYS 142 CO 0.77 0.04 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.32 1n0e h LYS 143 N 0.06 -1.09 -0.87 1.90 1.63 -1.92 -2.21 116.57 114.08 1n0e h LYS 143 Ca 0.37 0.07 0.16 0.00 -0.85 0.00 0.00 60.65 60.41 1n0e h LYS 143 Cb 0.63 0.25 -0.10 0.00 -0.60 0.00 0.00 32.23 32.40 1n0e h LYS 143 CO -0.67 -0.73 0.44 -0.07 -3.45 0.00 0.00 179.45 174.98 1n0e h LEU 144 N -1.13 0.51 0.16 5.20 4.07 -1.81 -0.83 115.31 121.48 1n0e h LEU 144 Ca -0.10 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1n0e h LEU 144 Cb 0.91 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1n0e h LEU 144 CO 0.10 0.18 -0.08 0.22 -1.08 0.00 0.00 178.44 177.79 1n0e h TYR 145 N 0.59 -0.20 -0.62 1.13 3.20 -1.09 0.72 116.97 120.70 1n0e h TYR 145 Ca 0.49 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.41 1n0e h TYR 145 Cb 0.75 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1n0e h TYR 145 CO -0.09 0.00 0.41 0.93 -1.64 0.00 0.00 178.16 177.77 1n0e h GLU 146 N -0.38 0.62 -0.39 1.82 5.08 -0.78 0.27 114.58 120.82 1n0e h GLU 146 Ca -0.02 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1n0e h GLU 146 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1n0e h GLU 146 CO 0.04 0.41 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.68 1n0e h ASP 147 N 0.64 0.94 -0.35 1.42 3.32 -0.85 0.45 116.42 121.98 1n0e h ASP 147 Ca 0.26 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1n0e h ASP 147 Cb 0.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1n0e h ASP 147 CO -0.08 1.18 0.20 0.22 -1.72 0.00 0.00 179.24 179.04 1n0e h TYR 148 N 0.74 0.48 -0.61 4.55 3.20 0.13 -0.08 116.97 125.38 1n0e h TYR 148 Ca 0.07 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1n0e h TYR 148 Cb 0.91 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1n0e h TYR 148 CO 0.05 0.37 0.02 -0.07 -1.64 0.00 0.00 178.16 176.89 1n0e h LEU 149 N 0.45 1.04 -0.05 2.82 4.07 -0.36 -3.08 115.31 120.19 1n0e h LEU 149 Ca 0.12 -0.29 0.02 0.00 0.08 0.00 0.00 57.88 57.82 1n0e h LEU 149 Cb 0.05 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1n0e h LEU 149 CO -0.02 1.08 -0.08 0.00 -1.08 0.00 0.00 178.44 178.34 1n0e h ALA 150 N 1.03 -0.03 -3.00 1.53 0.00 0.43 -3.40 119.26 115.81 1n0e h ALA 150 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1n0e h ALA 150 Cb 0.54 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1n0e h ALA 150 CO 0.03 -0.55 0.00 0.09 0.00 0.00 0.00 179.25 178.82 1n0e n ASN 151 N -5.20 0.00 -1.59 0.00 3.02 -0.09 -4.97 115.26 106.43 1n0e n ASN 151 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1n0e n ASN 151 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1n0e n ASN 151 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1n0e n SER 152 N 0.00 -7.50 -4.14 6.41 2.88 -1.22 -4.93 113.62 105.12 1n0e n SER 152 Ca 0.00 1.05 -0.29 0.00 -1.33 0.00 0.00 58.87 58.29 1n0e n SER 152 Cb 0.00 -3.92 0.21 0.00 -0.75 0.00 0.00 64.21 59.75 1n0e n SER 152 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1n0e s GLU 153 N -1.77 -0.56 0.87 -1.46 2.02 -1.26 -5.01 118.70 111.53 1n0e s GLU 153 Ca 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.99 1n0e s GLU 153 Cb 0.00 -1.66 0.11 0.00 0.10 0.00 0.00 34.13 32.68 1n0e s GLU 153 CO 0.00 -3.31 1.10 -1.54 0.02 0.00 0.00 175.26 171.53 1n0e s SER 154 N -3.80 3.63 0.19 -0.19 1.04 -1.26 -4.83 113.70 108.48 1n0e s SER 154 Ca 0.69 1.73 -0.11 0.00 0.48 0.00 0.00 55.95 58.74 1n0e s SER 154 Cb -0.13 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 63.74 1n0e s SER 154 CO 0.56 -2.57 1.81 0.25 0.98 0.00 0.00 173.24 174.27 1n0e h LEU 155 N -1.50 0.86 -0.24 2.42 5.85 -1.99 -1.77 115.31 118.93 1n0e h LEU 155 Ca -0.47 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1n0e h LEU 155 Cb 1.26 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1n0e h LEU 155 CO 0.51 0.71 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.97 1n0e h GLU 156 N 0.95 0.44 0.21 1.25 3.07 -1.98 -1.84 114.58 116.67 1n0e h GLU 156 Ca 0.24 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1n0e h GLU 156 Cb 0.04 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1n0e h GLU 156 CO -0.04 0.63 -0.17 1.15 -1.40 0.00 0.00 179.01 179.17 1n0e h THR 157 N 0.21 0.63 -0.17 1.13 2.02 -1.88 -0.27 112.91 114.57 1n0e h THR 157 Ca 0.07 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1n0e h THR 157 Cb 0.44 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1n0e h THR 157 CO 0.01 0.00 0.09 0.58 0.37 0.00 0.00 175.52 176.58 1n0e h VAL 158 N -0.39 1.01 -0.96 3.16 2.07 -1.37 -2.83 116.25 116.93 1n0e h VAL 158 Ca -0.01 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1n0e h VAL 158 Cb 0.36 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1n0e h VAL 158 CO -0.02 0.04 0.63 0.00 0.02 0.00 0.00 177.57 178.23 1n0e h ALA 159 N 1.08 1.42 0.00 1.67 0.00 -1.16 -1.90 119.26 120.37 1n0e h ALA 159 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1n0e h ALA 159 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1n0e h ALA 159 CO -0.04 0.45 -0.05 1.49 0.00 0.00 0.00 179.25 181.10 1n0e h GLU 160 N 1.15 0.00 -0.00 0.00 4.57 -0.79 -1.85 114.58 117.66 1n0e h GLU 160 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1n0e h GLU 160 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1n0e h GLU 160 CO -0.14 0.05 -0.09 0.54 -1.18 0.00 0.00 179.01 178.19 1n0e n ARG 161 N -4.15 0.17 0.00 1.92 1.74 -0.72 -5.12 116.66 110.51 1n0e n ARG 161 Ca -0.03 -0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.09 1n0e n ARG 161 Cb 0.14 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.47 1n0e n ARG 161 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78