#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvp s VAL 2 N 0.00 3.52 0.29 0.00 -7.23 -1.26 -5.00 120.40 110.72 1tvp s VAL 2 Ca 0.00 -1.67 -0.28 0.00 -1.81 0.00 0.00 61.98 58.22 1tvp s VAL 2 Cb 0.00 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 33.80 1tvp s VAL 2 CO 0.00 -0.28 0.98 -1.61 -0.31 0.00 0.00 175.10 173.88 1tvp s GLU 3 N -3.81 4.68 0.25 4.82 0.41 -1.26 -4.90 118.70 118.89 1tvp s GLU 3 Ca 0.35 1.49 -0.30 0.00 -0.41 0.00 0.00 54.97 56.10 1tvp s GLU 3 Cb -0.05 -3.05 -0.10 0.00 -1.78 0.00 0.00 34.13 29.15 1tvp s GLU 3 CO 0.23 0.34 1.36 0.21 -0.49 0.00 0.00 175.26 176.90 1tvp s LYS 4 N -1.61 4.34 -0.12 1.61 2.20 -1.26 -4.60 119.74 120.29 1tvp s LYS 4 Ca 0.46 2.19 -0.11 0.00 -0.36 0.00 0.00 55.97 58.15 1tvp s LYS 4 Cb -0.24 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1tvp s LYS 4 CO 0.30 -0.30 0.25 -0.51 -0.36 0.00 0.00 175.35 174.74 1tvp s LEU 5 N -0.66 4.33 0.15 5.43 1.43 -1.26 -1.24 118.68 126.85 1tvp s LEU 5 Ca 0.56 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 54.18 1tvp s LEU 5 Cb -0.39 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1tvp s LEU 5 CO 0.44 0.24 0.09 0.42 0.23 0.00 0.00 176.35 177.77 1tvp s THR 6 N -0.27 0.08 -0.08 5.49 -4.23 -0.62 -4.45 115.64 111.56 1tvp s THR 6 Ca 0.16 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1tvp s THR 6 Cb -0.13 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1tvp s THR 6 CO 0.05 -0.37 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.87 1tvp s VAL 7 N -4.06 2.46 -0.19 2.29 1.01 -1.26 0.03 120.40 120.68 1tvp s VAL 7 Ca 0.26 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1tvp s VAL 7 Cb 0.07 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1tvp s VAL 7 CO 0.03 0.56 0.06 -0.55 0.00 0.00 0.00 175.10 175.20 1tvp s SER 8 N -0.03 2.69 1.49 3.32 0.15 0.40 -4.67 113.70 117.05 1tvp s SER 8 Ca -0.06 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1tvp s SER 8 Cb -0.15 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1tvp s SER 8 CO 0.05 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1tvp n GLY 9 N 5.14 2.74 1.55 9.45 0.00 -1.26 -1.55 105.19 121.25 1tvp n GLY 9 Ca -0.08 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1tvp n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tvp n ASN 10 N 4.38 4.56 -4.31 1.61 0.23 -1.23 -3.97 115.26 116.53 1tvp n ASN 10 Ca 0.00 -2.68 -0.30 0.00 -0.53 0.00 0.00 54.58 51.07 1tvp n ASN 10 Cb 0.00 -0.63 -0.15 0.00 -2.08 0.00 0.00 39.78 36.91 1tvp n ASN 10 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1tvp s GLN 11 N -2.30 1.87 -0.25 -3.83 -1.52 -0.60 -4.13 119.66 108.90 1tvp s GLN 11 Ca 0.42 -1.00 -0.09 0.00 -1.95 0.00 0.00 55.36 52.73 1tvp s GLN 11 Cb 0.31 -1.93 -0.04 0.00 -0.22 0.00 0.00 33.01 31.13 1tvp s GLN 11 CO 0.13 0.51 0.12 0.42 -0.25 0.00 0.00 175.29 176.22 1tvp s ILE 12 N -0.71 4.83 0.09 1.08 1.01 -1.26 -0.45 121.20 125.79 1tvp s ILE 12 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1tvp s ILE 12 Cb -0.10 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1tvp s ILE 12 CO 0.01 0.33 0.15 -0.76 0.00 0.00 0.00 174.94 174.67 1tvp s LEU 13 N 1.39 4.05 -0.24 2.97 1.43 0.10 -4.46 118.68 123.92 1tvp s LEU 13 Ca 0.06 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1tvp s LEU 13 Cb -0.15 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.44 1tvp s LEU 13 CO 0.06 0.15 -0.11 0.00 0.23 0.00 0.00 176.35 176.68 1tvp s ALA 14 N -1.50 2.40 -1.64 4.21 0.00 -0.37 -1.58 121.76 123.28 1tvp s ALA 14 Ca 0.32 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1tvp s ALA 14 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1tvp s ALA 14 CO 0.25 -1.08 0.07 0.41 0.00 0.00 0.00 175.76 175.42 1tvp n GLY 15 N 4.51 -0.44 2.35 0.00 0.00 -0.38 -1.51 105.19 109.72 1tvp n GLY 15 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1tvp n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvp n GLY 16 N -1.08 0.80 3.46 -0.02 0.00 -1.26 -5.03 105.19 102.05 1tvp n GLY 16 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1tvp n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvp s GLU 17 N -0.10 1.63 -0.10 1.61 0.41 -0.57 -5.02 118.70 116.56 1tvp s GLU 17 Ca 0.00 -1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 52.73 1tvp s GLU 17 Cb 0.00 -1.88 -0.02 0.00 -1.78 0.00 0.00 34.13 30.45 1tvp s GLU 17 CO 0.00 0.39 1.15 -0.80 -0.49 0.00 0.00 175.26 175.51 1tvp s ASN 18 N -2.87 7.09 0.09 -0.19 0.02 -1.26 -1.24 114.94 116.57 1tvp s ASN 18 Ca 0.23 1.70 -0.22 0.00 -1.02 0.00 0.00 52.86 53.55 1tvp s ASN 18 Cb -0.07 -2.55 0.08 0.00 0.02 0.00 0.00 41.25 38.72 1tvp s ASN 18 CO 0.12 -0.58 1.03 1.07 0.02 0.00 0.00 177.10 178.75 1tvp n THR 19 N 4.76 0.00 -3.73 1.60 5.66 -1.26 -4.99 114.28 116.32 1tvp n THR 19 Ca 0.11 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.65 1tvp n THR 19 Cb 0.47 0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 69.84 1tvp n THR 19 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1tvp s SER 20 N -3.37 -0.24 0.07 1.09 1.04 -1.26 -4.75 113.70 106.28 1tvp s SER 20 Ca 0.24 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.25 1tvp s SER 20 Cb -0.02 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1tvp s SER 20 CO 0.03 -1.01 -0.13 -0.36 0.98 0.00 0.00 173.24 172.75 1tvp s PHE 21 N -3.87 1.16 0.03 5.02 0.08 -1.26 -4.98 117.98 114.16 1tvp s PHE 21 Ca 0.09 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.71 1tvp s PHE 21 Cb -0.00 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 1tvp s PHE 21 CO -0.04 0.04 -0.15 0.00 -0.10 0.00 0.00 175.22 174.97 1tvp s ALA 22 N -1.37 1.25 0.16 5.36 0.00 -1.26 -1.57 121.76 124.33 1tvp s ALA 22 Ca -0.02 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1tvp s ALA 22 Cb -0.10 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.87 1tvp s ALA 22 CO 0.02 0.26 1.03 0.41 0.00 0.00 0.00 175.76 177.47 1tvp n GLY 23 N 2.06 0.58 3.91 0.00 0.00 -0.93 -2.05 105.19 108.77 1tvp n GLY 23 Ca -0.17 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 1tvp n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tvp s PRO 24 N -2.05 3.53 -0.16 1.61 0.04 -1.25 -1.80 135.00 134.92 1tvp s PRO 24 Ca 0.23 -0.29 -0.06 0.00 0.04 0.00 0.00 61.00 60.92 1tvp s PRO 24 Cb -0.03 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 1tvp s PRO 24 CO 0.05 0.50 0.04 0.45 0.04 0.00 0.00 177.00 178.08 1tvp s SER 25 N -2.68 5.50 0.66 6.66 0.15 0.14 -1.88 113.70 122.26 1tvp s SER 25 Ca 0.38 0.08 -0.13 0.00 0.70 0.00 0.00 55.95 56.98 1tvp s SER 25 Cb -0.12 -1.88 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1tvp s SER 25 CO 0.27 0.21 1.07 -0.76 1.20 0.00 0.00 173.24 175.23 1tvp s LEU 26 N 0.13 3.28 1.01 3.45 1.43 0.07 -0.65 118.68 127.40 1tvp s LEU 26 Ca 0.04 1.77 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 1tvp s LEU 26 Cb -0.12 -4.52 0.20 0.00 0.03 0.00 0.00 46.19 41.78 1tvp s LEU 26 CO 0.01 -1.45 1.21 0.12 0.23 0.00 0.00 176.35 176.47 1tvp s PHE 27 N -2.72 1.59 0.21 0.29 5.36 -1.19 -4.29 117.98 117.23 1tvp s PHE 27 Ca 0.62 0.52 -0.31 0.00 -0.96 0.00 0.00 56.93 56.80 1tvp s PHE 27 Cb -0.16 -3.72 -0.16 0.00 -0.34 0.00 0.00 43.02 38.64 1tvp s PHE 27 CO 0.47 -2.87 0.98 0.91 -1.46 0.00 0.00 175.22 173.24 1tvp n TRP 28 N -4.02 0.90 0.93 10.12 7.02 -1.26 -4.42 117.44 126.71 1tvp n TRP 28 Ca 0.12 0.77 0.14 0.00 -1.02 0.00 0.00 57.50 57.50 1tvp n TRP 28 Cb 0.59 -2.20 0.53 0.00 -2.42 0.00 0.00 31.31 27.82 1tvp n TRP 28 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1tvp n SER 29 N 1.71 0.20 -3.64 -0.99 3.41 -0.22 -4.49 113.62 109.60 1tvp n SER 29 Ca 0.14 0.42 -0.47 0.00 -0.26 0.00 0.00 58.87 58.70 1tvp n SER 29 Cb 0.26 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1tvp n SER 29 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tvp n ASN 30 N -1.64 -0.10 -4.71 4.04 4.13 -1.26 -4.63 115.26 111.09 1tvp n ASN 30 Ca 0.07 0.94 -0.42 0.00 1.68 0.00 0.00 54.58 56.84 1tvp n ASN 30 Cb 0.36 -0.75 -0.03 0.00 -1.54 0.00 0.00 39.78 37.82 1tvp n ASN 30 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1tvp s THR 31 N -0.08 3.05 0.00 3.41 2.01 -0.64 -1.92 115.64 121.47 1tvp s THR 31 Ca 0.72 0.68 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1tvp s THR 31 Cb -1.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1tvp s THR 31 CO 0.46 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 1tvp n GLY 32 N 3.72 0.92 0.38 4.40 0.00 -1.26 -4.15 105.19 109.19 1tvp n GLY 32 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1tvp n GLY 32 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tvp n TRP 33 N -2.00 0.07 0.00 1.61 7.02 -0.81 -4.97 117.44 118.37 1tvp n TRP 33 Ca 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 1tvp n TRP 33 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1tvp n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1tvp n GLY 34 N 1.09 2.78 0.65 6.99 0.00 -1.26 -4.88 105.19 110.55 1tvp n GLY 34 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1tvp n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tvp n ALA 35 N -0.17 2.58 -0.24 4.61 0.00 -1.26 -4.31 120.51 121.73 1tvp n ALA 35 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 53.44 52.99 1tvp n ALA 35 Cb 0.00 -1.02 0.35 0.00 0.00 0.00 0.00 19.45 18.78 1tvp n ALA 35 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1tvp h GLU 36 N 3.18 0.74 0.00 0.00 3.07 -1.84 -0.30 114.58 119.44 1tvp h GLU 36 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1tvp h GLU 36 Cb 0.69 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1tvp h GLU 36 CO 0.00 0.49 0.00 0.36 -1.40 0.00 0.00 179.01 178.46 1tvp n LYS 37 N -4.51 0.01 -0.00 2.33 2.85 -1.26 -2.00 118.16 115.57 1tvp n LYS 37 Ca 0.14 0.39 0.10 0.00 -1.05 0.00 0.00 58.31 57.89 1tvp n LYS 37 Cb 0.33 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.08 1tvp n LYS 37 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1tvp n PHE 38 N -1.48 0.00 -2.06 5.58 3.01 -0.12 -4.62 117.46 117.76 1tvp n PHE 38 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1tvp n PHE 38 Cb 0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1tvp n PHE 38 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1tvp n TYR 39 N -1.64 3.21 -4.17 1.38 4.02 -0.85 -4.65 117.16 114.46 1tvp n TYR 39 Ca 0.02 -2.87 -0.11 0.00 -0.01 0.00 0.00 57.90 54.93 1tvp n TYR 39 Cb 0.37 -2.22 -0.10 0.00 -0.02 0.00 0.00 39.34 37.37 1tvp n TYR 39 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1tvp s THR 40 N 1.65 0.57 0.29 -0.72 -4.23 -1.26 -4.68 115.64 107.25 1tvp s THR 40 Ca 0.43 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1tvp s THR 40 Cb 0.12 -1.79 0.12 0.00 1.34 0.00 0.00 72.50 72.28 1tvp s THR 40 CO -0.04 -0.76 1.79 0.00 -0.54 0.00 0.00 174.62 175.07 1tvp h ALA 41 N 2.92 1.19 -0.55 3.99 0.00 -1.90 -2.42 119.26 122.49 1tvp h ALA 41 Ca -0.35 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1tvp h ALA 41 Cb 1.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1tvp h ALA 41 CO 0.64 0.52 0.36 1.49 0.00 0.00 0.00 179.25 182.26 1tvp h GLU 42 N 0.59 0.72 -0.36 0.00 4.57 -1.95 -1.58 114.58 116.57 1tvp h GLU 42 Ca 0.12 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 1tvp h GLU 42 Cb 0.45 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1tvp h GLU 42 CO 0.02 0.47 -0.33 1.15 -1.18 0.00 0.00 179.01 179.15 1tvp h THR 43 N 0.74 1.28 -0.57 0.32 2.02 -1.75 -1.33 112.91 113.62 1tvp h THR 43 Ca 0.20 -1.48 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 1tvp h THR 43 Cb -0.08 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1tvp h THR 43 CO -0.05 0.49 0.18 0.58 0.37 0.00 0.00 175.52 177.09 1tvp h VAL 44 N 0.67 1.24 -0.72 3.16 2.07 -1.22 -1.03 116.25 120.42 1tvp h VAL 44 Ca 0.07 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1tvp h VAL 44 Cb 0.87 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1tvp h VAL 44 CO 0.08 0.30 0.23 0.00 0.02 0.00 0.00 177.57 178.20 1tvp h ALA 45 N 1.05 1.06 -0.30 1.67 0.00 -1.15 -2.52 119.26 119.07 1tvp h ALA 45 Ca 0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1tvp h ALA 45 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1tvp h ALA 45 CO -0.01 0.64 -0.15 0.87 0.00 0.00 0.00 179.25 180.61 1tvp h LYS 46 N 1.06 0.52 -0.53 0.00 1.79 -0.86 -0.54 116.57 118.02 1tvp h LYS 46 Ca 0.23 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1tvp h LYS 46 Cb 0.28 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1tvp h LYS 46 CO -0.01 0.66 0.31 0.00 -1.08 0.00 0.00 179.45 179.33 1tvp h ALA 47 N 1.37 1.55 0.04 3.86 0.00 -0.75 0.23 119.26 125.55 1tvp h ALA 47 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tvp h ALA 47 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1tvp h ALA 47 CO 0.03 0.39 -0.02 -0.22 0.00 0.00 0.00 179.25 179.43 1tvp h LYS 48 N 0.73 -0.05 -0.07 0.00 3.64 -1.26 -2.15 116.57 117.41 1tvp h LYS 48 Ca 0.19 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1tvp h LYS 48 Cb -0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1tvp h LYS 48 CO -0.04 0.58 -0.37 1.79 -2.27 0.00 0.00 179.45 179.15 1tvp h THR 49 N -0.91 1.28 0.01 1.00 1.35 -0.99 0.21 112.91 114.85 1tvp h THR 49 Ca -0.01 -1.35 -0.17 0.00 -0.55 0.00 0.00 66.41 64.34 1tvp h THR 49 Cb 0.66 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1tvp h THR 49 CO 0.01 0.40 -0.90 -0.33 -0.25 0.00 0.00 175.52 174.44 1tvp h GLU 50 N 0.11 0.02 0.00 4.72 4.39 -0.69 -3.41 114.58 119.72 1tvp h GLU 50 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1tvp h GLU 50 Cb 0.71 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1tvp h GLU 50 CO 0.05 1.02 -0.87 1.19 -1.16 0.00 0.00 179.01 179.24 1tvp n PHE 51 N -4.43 0.00 -2.63 4.33 3.01 -1.04 -4.98 117.46 111.71 1tvp n PHE 51 Ca -0.25 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.08 1tvp n PHE 51 Cb 0.64 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.12 1tvp n PHE 51 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1tvp n ASN 52 N -1.44 -4.27 -4.77 4.37 2.85 0.73 -2.66 115.26 110.07 1tvp n ASN 52 Ca 0.03 -0.15 -0.40 0.00 -0.11 0.00 0.00 54.58 53.96 1tvp n ASN 52 Cb 0.28 -3.20 0.00 0.00 1.24 0.00 0.00 39.78 38.10 1tvp n ASN 52 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1tvp s ALA 53 N -2.87 3.26 -1.36 5.20 0.00 -0.84 -4.84 121.76 120.31 1tvp s ALA 53 Ca 0.15 1.29 0.13 0.00 0.00 0.00 0.00 51.96 53.53 1tvp s ALA 53 Cb -0.07 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1tvp s ALA 53 CO 0.19 -0.91 0.80 0.25 0.00 0.00 0.00 175.76 176.09 1tvp n THR 54 N 0.05 0.00 -3.83 0.00 -2.24 -0.87 -4.47 114.28 102.92 1tvp n THR 54 Ca 0.04 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 1tvp n THR 54 Cb 0.43 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 1tvp n THR 54 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1tvp s LEU 55 N -1.56 0.39 -0.16 3.22 0.05 -1.25 -1.30 118.68 118.07 1tvp s LEU 55 Ca 0.12 -0.64 -0.13 0.00 0.05 0.00 0.00 54.13 53.54 1tvp s LEU 55 Cb 0.11 1.81 0.05 0.00 -2.05 0.00 0.00 46.19 46.10 1tvp s LEU 55 CO 0.27 -1.01 0.41 -0.51 -0.55 0.00 0.00 176.35 174.96 1tvp s ILE 56 N -3.91 -0.01 -0.18 1.48 2.07 -0.60 -3.76 121.20 116.30 1tvp s ILE 56 Ca 0.13 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.33 1tvp s ILE 56 Cb 0.00 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 1tvp s ILE 56 CO -0.01 0.01 0.04 -0.60 -1.91 0.00 0.00 174.94 172.47 1tvp s ARG 57 N 0.57 3.88 -0.46 3.50 3.52 -0.79 -1.28 118.95 127.90 1tvp s ARG 57 Ca -0.03 -0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.04 1tvp s ARG 57 Cb -0.05 -3.14 0.08 0.00 -1.56 0.00 0.00 34.95 30.29 1tvp s ARG 57 CO -0.03 0.25 0.36 0.00 -0.81 0.00 0.00 175.30 175.07 1tvp s ALA 58 N 0.40 3.48 -1.13 6.12 0.00 0.03 -0.75 121.76 129.90 1tvp s ALA 58 Ca 0.01 -2.19 -0.18 0.00 0.00 0.00 0.00 51.96 49.61 1tvp s ALA 58 Cb -0.13 -2.95 0.11 0.00 0.00 0.00 0.00 23.12 20.16 1tvp s ALA 58 CO 0.01 -1.74 1.44 0.00 0.00 0.00 0.00 175.76 175.47 1tvp s ALA 59 N 1.56 3.45 -0.62 0.00 0.00 -1.26 -1.76 121.76 123.13 1tvp s ALA 59 Ca 0.04 -2.92 -0.28 0.00 0.00 0.00 0.00 51.96 48.80 1tvp s ALA 59 Cb -0.25 -4.31 0.03 0.00 0.00 0.00 0.00 23.12 18.59 1tvp s ALA 59 CO 0.05 -3.10 1.25 0.42 0.00 0.00 0.00 175.76 174.37 1tvp s ILE 60 N 3.10 3.90 0.24 0.00 -1.09 -0.39 -1.05 121.20 125.92 1tvp s ILE 60 Ca 0.44 0.73 -0.31 0.00 -2.23 0.00 0.00 60.65 59.28 1tvp s ILE 60 Cb -0.01 -4.73 -0.13 0.00 -1.58 0.00 0.00 42.46 36.00 1tvp s ILE 60 CO -0.02 -1.46 1.47 0.61 -1.23 0.00 0.00 174.94 174.31 1tvp n GLY 61 N 5.18 0.93 2.96 6.18 0.00 -1.26 -0.84 105.19 118.34 1tvp n GLY 61 Ca 0.08 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.46 1tvp n GLY 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1tvp s HIS 62 N 0.06 0.40 0.00 1.61 2.46 -0.73 -0.55 115.29 118.55 1tvp s HIS 62 Ca 0.68 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 56.04 1tvp s HIS 62 Cb -0.62 -0.25 0.00 0.00 -0.13 0.00 0.00 32.58 31.58 1tvp s HIS 62 CO 0.48 -0.03 0.00 0.41 -2.47 0.00 0.00 174.74 173.13 1tvp n GLY 63 N 2.61 2.82 0.14 1.59 0.00 -1.26 -4.44 105.19 106.64 1tvp n GLY 63 Ca -0.15 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1tvp n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tvp n THR 64 N 0.00 0.97 -0.91 2.61 -2.24 -1.26 -2.19 114.28 111.26 1tvp n THR 64 Ca 0.00 0.46 0.02 0.00 -2.27 0.00 0.00 64.05 62.26 1tvp n THR 64 Cb 0.00 -1.42 0.03 0.00 -2.10 0.00 0.00 70.33 66.84 1tvp n THR 64 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1tvp n SER 65 N -2.20 1.18 -4.40 3.42 7.64 -1.26 -5.00 113.62 113.00 1tvp n SER 65 Ca 0.01 -2.01 -0.42 0.00 1.01 0.00 0.00 58.87 57.45 1tvp n SER 65 Cb 0.14 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 1tvp n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tvp s THR 66 N -1.00 4.89 0.27 0.44 2.01 -0.93 -5.05 115.64 116.26 1tvp s THR 66 Ca 0.08 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1tvp s THR 66 Cb 0.07 -3.77 -0.14 0.00 0.01 0.00 0.00 72.50 68.67 1tvp s THR 66 CO 0.01 -0.32 1.21 0.61 -0.69 0.00 0.00 174.62 175.44 1tvp n GLY 67 N 5.08 0.29 2.60 4.40 0.00 -1.26 -2.42 105.19 113.87 1tvp n GLY 67 Ca -0.11 0.41 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 1tvp n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvp n GLY 68 N 1.52 0.23 1.29 -0.02 0.00 -1.26 -4.68 105.19 102.28 1tvp n GLY 68 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1tvp n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tvp n SER 69 N -0.59 -0.09 0.29 1.61 3.41 -1.02 -1.62 113.62 115.61 1tvp n SER 69 Ca -0.00 -1.12 0.14 0.00 -0.26 0.00 0.00 58.87 57.63 1tvp n SER 69 Cb 0.31 -0.34 0.87 0.00 -0.26 0.00 0.00 64.21 64.78 1tvp n SER 69 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1tvp h LEU 70 N 0.00 0.00 0.00 1.04 3.38 -1.08 0.03 115.31 118.67 1tvp h LEU 70 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1tvp h LEU 70 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1tvp h LEU 70 CO 0.10 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.25 1tvp n ASN 71 N -3.84 0.00 0.00 -0.43 4.13 -1.26 -3.43 115.26 110.42 1tvp n ASN 71 Ca -0.03 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1tvp n ASN 71 Cb 0.11 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1tvp n ASN 71 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1tvp n PHE 72 N -1.44 0.00 -3.19 3.10 3.72 -0.26 -4.93 117.46 114.45 1tvp n PHE 72 Ca 0.06 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 1tvp n PHE 72 Cb 0.22 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 1tvp n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1tvp n ASP 73 N -1.57 -0.60 0.06 4.37 2.03 -0.17 -4.97 116.55 115.70 1tvp n ASP 73 Ca 0.00 -2.66 -0.11 0.00 0.52 0.00 0.00 54.79 52.54 1tvp n ASP 73 Cb 0.36 -0.21 -0.05 0.00 -0.72 0.00 0.00 41.12 40.50 1tvp n ASP 73 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1tvp h TRP 74 N 4.61 -0.44 -0.07 -0.67 2.91 -1.76 -2.63 115.95 117.90 1tvp h TRP 74 Ca 0.11 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.19 1tvp h TRP 74 Cb 0.92 0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 29.71 1tvp h TRP 74 CO 0.28 -0.25 -0.26 1.49 -1.03 0.00 0.00 178.44 178.68 1tvp h GLU 75 N -0.29 -0.34 -0.28 2.65 4.81 -1.94 -0.15 114.58 119.04 1tvp h GLU 75 Ca 0.05 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1tvp h GLU 75 Cb 0.35 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1tvp h GLU 75 CO -0.15 -0.23 0.17 0.78 -0.73 0.00 0.00 179.01 178.85 1tvp h GLY 76 N -0.36 0.38 0.94 1.92 0.00 -1.97 -0.50 103.07 103.48 1tvp h GLY 76 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1tvp h GLY 76 CO -0.27 0.13 0.00 3.43 0.00 0.00 0.00 176.54 179.83 1tvp h ASN 77 N 0.35 0.66 0.26 0.19 2.35 -1.35 -2.29 115.58 115.75 1tvp h ASN 77 Ca 0.10 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1tvp h ASN 77 Cb -0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1tvp h ASN 77 CO -0.04 0.80 -0.30 0.24 -1.65 0.00 0.00 177.43 176.49 1tvp h MET 78 N 0.50 0.07 -0.36 0.81 2.86 -0.90 -1.54 114.93 116.36 1tvp h MET 78 Ca 0.11 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1tvp h MET 78 Cb 0.46 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1tvp h MET 78 CO 0.02 0.37 -0.42 1.03 1.06 0.00 0.00 176.91 178.97 1tvp h SER 79 N 0.06 0.99 -0.55 1.22 0.87 -0.96 -1.07 113.55 114.11 1tvp h SER 79 Ca 0.01 -0.47 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1tvp h SER 79 Cb 0.57 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1tvp h SER 79 CO 0.04 1.27 0.01 0.03 -0.53 0.00 0.00 176.83 177.64 1tvp h ARG 80 N 0.74 1.00 -0.27 2.24 3.08 -1.02 -1.84 114.38 118.32 1tvp h ARG 80 Ca 0.05 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1tvp h ARG 80 Cb 1.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1tvp h ARG 80 CO 0.10 0.98 0.10 1.25 -1.07 0.00 0.00 179.97 181.33 1tvp h LEU 81 N 0.92 0.37 -0.53 3.04 5.85 -1.09 -2.44 115.31 121.44 1tvp h LEU 81 Ca 0.17 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1tvp h LEU 81 Cb 0.53 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1tvp h LEU 81 CO 0.03 0.44 0.25 -0.78 -0.34 0.00 0.00 178.44 178.03 1tvp h ASP 82 N 0.28 0.33 -0.38 1.25 1.82 -0.94 0.03 116.42 118.80 1tvp h ASP 82 Ca 0.09 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.79 1tvp h ASP 82 Cb 0.19 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1tvp h ASP 82 CO -0.01 0.22 0.22 0.74 -1.61 0.00 0.00 179.24 178.81 1tvp h THR 83 N 0.47 1.04 -0.38 2.25 2.02 -1.18 -2.02 112.91 115.10 1tvp h THR 83 Ca 0.24 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1tvp h THR 83 Cb 0.19 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1tvp h THR 83 CO -0.19 0.08 -0.06 0.58 0.37 0.00 0.00 175.52 176.30 1tvp h VAL 84 N 0.45 1.27 -0.14 3.16 2.07 -0.93 -2.27 116.25 119.86 1tvp h VAL 84 Ca 0.15 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1tvp h VAL 84 Cb 0.01 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1tvp h VAL 84 CO -0.07 0.37 0.07 0.58 0.02 0.00 0.00 177.57 178.54 1tvp h VAL 85 N 0.52 1.11 -0.53 2.57 2.07 -0.89 0.39 116.25 121.49 1tvp h VAL 85 Ca 0.10 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1tvp h VAL 85 Cb 0.57 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1tvp h VAL 85 CO 0.03 0.10 0.15 0.78 0.02 0.00 0.00 177.57 178.65 1tvp h ASN 86 N 0.11 0.74 -0.35 0.57 2.35 -1.39 -1.32 115.58 116.29 1tvp h ASN 86 Ca 0.05 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 1tvp h ASN 86 Cb 0.10 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1tvp h ASN 86 CO -0.01 0.71 -0.27 0.00 -1.65 0.00 0.00 177.43 176.21 1tvp h ALA 87 N 1.39 0.51 -0.57 -0.83 0.00 -1.14 -1.32 119.26 117.30 1tvp h ALA 87 Ca 0.18 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1tvp h ALA 87 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1tvp h ALA 87 CO -0.01 0.52 0.36 0.00 0.00 0.00 0.00 179.25 180.12 1tvp h ALA 88 N 0.76 0.73 -0.48 0.00 0.00 -0.49 0.10 119.26 119.88 1tvp h ALA 88 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1tvp h ALA 88 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1tvp h ALA 88 CO 0.07 0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.51 1tvp h ILE 89 N 0.72 1.17 -0.16 0.00 2.04 -1.07 -0.24 117.51 119.96 1tvp h ILE 89 Ca 0.22 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1tvp h ILE 89 Cb -0.02 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1tvp h ILE 89 CO -0.08 0.18 -0.11 0.00 0.00 0.00 0.00 178.15 178.15 1tvp h ALA 90 N 1.10 1.52 -0.18 1.87 0.00 -0.47 -2.43 119.26 120.67 1tvp h ALA 90 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tvp h ALA 90 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1tvp h ALA 90 CO -0.03 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.96 1tvp n GLU 91 N -4.29 1.82 -3.54 0.00 -0.58 0.29 -4.95 120.64 109.40 1tvp n GLU 91 Ca -0.01 -1.23 -0.20 0.00 -0.42 0.00 0.00 57.16 55.30 1tvp n GLU 91 Cb 0.25 -1.41 0.08 0.00 -0.57 0.00 0.00 31.44 29.79 1tvp n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1tvp n ASP 92 N 0.46 -3.15 -4.36 1.62 8.00 -0.60 -5.01 116.55 113.51 1tvp n ASP 92 Ca 0.17 -0.64 -0.23 0.00 0.71 0.00 0.00 54.79 54.80 1tvp n ASP 92 Cb 0.37 -4.88 -0.11 0.00 -0.02 0.00 0.00 41.12 36.47 1tvp n ASP 92 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1tvp s MET 93 N -5.76 1.35 0.43 -1.24 -1.94 -0.20 -4.82 119.30 107.12 1tvp s MET 93 Ca 0.18 -1.45 -0.17 0.00 -1.71 0.00 0.00 55.69 52.55 1tvp s MET 93 Cb -0.08 -1.47 -0.09 0.00 2.01 0.00 0.00 34.83 35.20 1tvp s MET 93 CO 0.75 0.30 0.89 0.71 -0.01 0.00 0.00 175.02 177.66 1tvp s TYR 94 N -1.98 3.39 -0.11 -0.03 2.02 -0.42 -4.29 117.35 115.93 1tvp s TYR 94 Ca 0.18 1.40 -0.01 0.00 -0.37 0.00 0.00 57.07 58.26 1tvp s TYR 94 Cb -0.06 -2.70 0.03 0.00 -0.40 0.00 0.00 41.96 38.82 1tvp s TYR 94 CO 0.08 -0.15 -0.06 0.54 -1.57 0.00 0.00 175.55 174.39 1tvp s VAL 95 N -2.31 0.90 -0.40 0.71 0.11 0.34 -1.55 120.40 118.20 1tvp s VAL 95 Ca 0.58 -0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 59.18 1tvp s VAL 95 Cb -0.10 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1tvp s VAL 95 CO 0.22 0.32 0.68 -0.63 -3.33 0.00 0.00 175.10 172.37 1tvp s ILE 96 N 1.76 4.81 -0.66 7.04 1.01 -0.41 -1.38 121.20 133.37 1tvp s ILE 96 Ca 0.05 0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 1tvp s ILE 96 Cb -0.13 -4.18 0.08 0.00 0.01 0.00 0.00 42.46 38.24 1tvp s ILE 96 CO -0.08 -0.50 0.93 -0.63 0.00 0.00 0.00 174.94 174.66 1tvp s ILE 97 N 2.89 4.42 -0.32 2.92 1.01 0.34 -0.79 121.20 131.68 1tvp s ILE 97 Ca 0.25 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 1tvp s ILE 97 Cb -0.14 -4.66 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 1tvp s ILE 97 CO 0.18 -1.41 0.34 -0.62 0.00 0.00 0.00 174.94 173.43 1tvp s ASP 98 N 3.68 6.18 -1.01 3.58 2.15 -0.72 -1.21 116.67 129.30 1tvp s ASP 98 Ca 0.21 -0.08 -0.20 0.00 0.43 0.00 0.00 52.55 52.91 1tvp s ASP 98 Cb -0.17 -2.19 0.10 0.00 -0.30 0.00 0.00 42.92 40.36 1tvp s ASP 98 CO 0.08 -0.26 1.31 0.12 -0.17 0.00 0.00 175.17 176.26 1tvp s PHE 99 N 1.99 2.92 -1.20 -5.34 2.19 -0.57 -1.26 117.98 116.72 1tvp s PHE 99 Ca 0.12 -1.27 -0.22 0.00 0.33 0.00 0.00 56.93 55.88 1tvp s PHE 99 Cb -0.16 -4.47 -0.08 0.00 -1.31 0.00 0.00 43.02 37.00 1tvp s PHE 99 CO 0.11 -1.67 1.92 -1.58 1.83 0.00 0.00 175.22 175.84 1tvp s HIS 100 N 3.53 2.01 0.13 10.12 5.65 -0.02 -2.20 115.29 134.52 1tvp s HIS 100 Ca 0.40 0.32 0.05 0.00 0.25 0.00 0.00 55.06 56.08 1tvp s HIS 100 Cb -0.02 -4.05 -0.04 0.00 -1.18 0.00 0.00 32.58 27.29 1tvp s HIS 100 CO -0.08 -1.23 -0.11 0.45 -0.65 0.00 0.00 174.74 173.12 1tvp s SER 101 N 6.31 1.84 -0.03 9.88 0.15 -1.26 -1.77 113.70 128.82 1tvp s SER 101 Ca 0.67 -0.92 0.05 0.00 0.70 0.00 0.00 55.95 56.45 1tvp s SER 101 Cb -0.00 -0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.35 1tvp s SER 101 CO 0.13 -0.25 1.01 1.41 1.20 0.00 0.00 173.24 176.74 1tvp n HIS 102 N 0.14 0.00 -2.23 3.44 8.25 -1.26 -1.53 115.22 122.03 1tvp n HIS 102 Ca -0.13 -0.59 -0.03 0.00 -0.26 0.00 0.00 57.72 56.71 1tvp n HIS 102 Cb 0.59 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 1tvp n HIS 102 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1tvp n GLU 103 N -0.70 0.20 -0.31 -0.41 0.28 -1.26 -4.41 120.64 114.03 1tvp n GLU 103 Ca 0.04 -1.39 0.08 0.00 -0.16 0.00 0.00 57.16 55.73 1tvp n GLU 103 Cb 0.37 0.27 0.29 0.00 1.43 0.00 0.00 31.44 33.81 1tvp n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tvp h ALA 104 N 0.46 1.64 0.00 -1.84 0.00 -1.91 -1.77 119.26 115.83 1tvp h ALA 104 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1tvp h ALA 104 Cb 1.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1tvp h ALA 104 CO -0.16 0.15 0.00 1.12 0.00 0.00 0.00 179.25 180.36 1tvp h HIS 105 N 0.89 0.00 -0.20 0.00 2.07 -1.93 -2.41 115.15 113.56 1tvp h HIS 105 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 1tvp h HIS 105 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1tvp h HIS 105 CO -0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 1tvp n THR 106 N -2.63 0.30 -2.68 6.12 -2.24 -0.68 -4.33 114.28 108.14 1tvp n THR 106 Ca 0.00 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 1tvp n THR 106 Cb 0.21 1.14 0.04 0.00 -2.10 0.00 0.00 70.33 69.62 1tvp n THR 106 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tvp n ASP 107 N 1.16 1.07 -0.27 3.42 4.64 -0.93 -4.98 116.55 120.65 1tvp n ASP 107 Ca 0.14 -2.62 0.00 0.00 -1.38 0.00 0.00 54.79 50.93 1tvp n ASP 107 Cb 0.51 -0.35 0.13 0.00 -1.04 0.00 0.00 41.12 40.37 1tvp n ASP 107 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 1tvp h GLN 108 N 2.84 0.76 -0.88 -0.67 4.15 -1.69 -2.49 115.11 117.14 1tvp h GLN 108 Ca -0.13 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.32 1tvp h GLN 108 Cb 1.20 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.66 1tvp h GLN 108 CO 0.41 0.51 0.57 0.00 -1.93 0.00 0.00 178.83 178.39 1tvp h ALA 109 N 1.40 1.56 -0.33 3.38 0.00 -1.93 0.15 119.26 123.48 1tvp h ALA 109 Ca 0.35 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 1tvp h ALA 109 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tvp h ALA 109 CO -0.20 0.30 -0.48 1.15 0.00 0.00 0.00 179.25 180.02 1tvp h THR 110 N 0.97 1.27 -0.62 0.00 2.02 -1.86 -1.46 112.91 113.24 1tvp h THR 110 Ca 0.38 -1.66 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1tvp h THR 110 Cb 0.25 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1tvp h THR 110 CO -0.15 0.55 0.23 0.00 0.37 0.00 0.00 175.52 176.53 1tvp h ALA 111 N 0.72 0.81 -0.57 6.16 0.00 -0.81 -0.34 119.26 125.24 1tvp h ALA 111 Ca 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1tvp h ALA 111 Cb 1.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1tvp h ALA 111 CO 0.11 0.44 0.05 0.28 0.00 0.00 0.00 179.25 180.13 1tvp h VAL 112 N 0.87 1.26 0.00 0.00 2.07 -0.70 0.01 116.25 119.76 1tvp h VAL 112 Ca 0.21 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1tvp h VAL 112 Cb 0.23 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1tvp h VAL 112 CO -0.01 0.38 -0.00 -0.09 0.02 0.00 0.00 177.57 177.86 1tvp h ARG 113 N 0.85 -0.00 0.02 1.57 2.43 -0.95 0.29 114.38 118.58 1tvp h ARG 113 Ca 0.17 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1tvp h ARG 113 Cb 0.47 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1tvp h ARG 113 CO 0.02 0.01 -0.14 0.35 -1.51 0.00 0.00 179.97 178.70 1tvp h PHE 114 N -0.02 -0.37 -0.05 2.20 3.57 -0.81 -1.74 116.94 119.73 1tvp h PHE 114 Ca -0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1tvp h PHE 114 Cb 0.02 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1tvp h PHE 114 CO -0.08 -0.21 -0.40 0.74 -2.23 0.00 0.00 178.31 176.14 1tvp h PHE 115 N -0.25 0.12 -0.08 0.41 0.04 -0.81 -0.97 116.94 115.40 1tvp h PHE 115 Ca 0.04 -0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.62 1tvp h PHE 115 Cb 0.30 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1tvp h PHE 115 CO -0.19 0.49 -0.63 0.93 -0.60 0.00 0.00 178.31 178.31 1tvp h GLU 116 N 0.09 0.31 0.07 1.51 5.08 -0.82 -1.67 114.58 119.16 1tvp h GLU 116 Ca 0.01 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1tvp h GLU 116 Cb 0.75 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1tvp h GLU 116 CO 0.06 0.85 -0.04 0.22 -1.00 0.00 0.00 179.01 179.10 1tvp h ASP 117 N 0.23 -0.09 -0.29 1.42 -0.00 -0.94 -1.65 116.42 115.10 1tvp h ASP 117 Ca -0.01 -0.33 -0.07 0.00 -0.00 0.00 0.00 57.03 56.61 1tvp h ASP 117 Cb 1.16 0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 40.50 1tvp h ASP 117 CO 0.10 0.29 -0.06 -0.37 -0.00 0.00 0.00 179.24 179.21 1tvp h VAL 118 N -0.48 1.24 -0.69 2.25 -1.51 -1.17 -1.25 116.25 114.64 1tvp h VAL 118 Ca -0.01 -1.02 -0.07 0.00 -1.23 0.00 0.00 66.70 64.37 1tvp h VAL 118 Cb 0.41 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 1tvp h VAL 118 CO 0.02 0.35 0.16 0.00 -1.23 0.00 0.00 177.57 176.86 1tvp h ALA 119 N 1.31 0.91 -0.12 5.19 0.00 -1.27 0.18 119.26 125.46 1tvp h ALA 119 Ca 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tvp h ALA 119 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tvp h ALA 119 CO 0.03 0.64 -0.01 1.15 0.00 0.00 0.00 179.25 181.05 1tvp h THR 120 N 1.04 1.27 0.02 0.00 2.02 -0.91 -1.06 112.91 115.29 1tvp h THR 120 Ca 0.21 -0.90 -0.24 0.00 0.77 0.00 0.00 66.41 66.26 1tvp h THR 120 Cb 0.38 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1tvp h THR 120 CO 0.00 0.26 -1.01 0.11 0.37 0.00 0.00 175.52 175.26 1tvp h LYS 121 N -0.08 0.43 0.00 6.66 1.57 -1.14 -3.40 116.57 120.61 1tvp h LYS 121 Ca 0.03 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1tvp h LYS 121 Cb 0.41 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1tvp h LYS 121 CO 0.01 1.16 0.00 0.66 -0.57 0.00 0.00 179.45 180.71 1tvp n TYR 122 N -3.73 0.00 -0.13 -1.35 4.01 0.62 -4.81 117.16 111.77 1tvp n TYR 122 Ca -0.08 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.89 1tvp n TYR 122 Cb 0.87 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 40.56 1tvp n TYR 122 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tvp h GLY 123 N 0.00 0.22 2.00 2.72 0.00 -1.11 -2.32 103.07 104.58 1tvp h GLY 123 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1tvp h GLY 123 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.54 176.60 1tvp h GLN 124 N 0.11 0.00 -5.86 4.80 3.07 -1.87 -3.43 115.11 111.92 1tvp h GLN 124 Ca 0.37 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.54 1tvp h GLN 124 Cb 1.30 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.79 1tvp h GLN 124 CO -0.04 0.00 -0.08 0.71 0.09 0.00 0.00 178.83 179.51 1tvp s TYR 125 N -3.49 3.56 -0.62 0.06 1.51 -0.88 -4.95 117.35 112.55 1tvp s TYR 125 Ca 0.01 1.01 0.20 0.00 -1.01 0.00 0.00 57.07 57.28 1tvp s TYR 125 Cb 0.08 -2.59 0.86 0.00 -0.11 0.00 0.00 41.96 40.20 1tvp s TYR 125 CO 0.35 0.21 1.61 -0.25 -1.11 0.00 0.00 175.55 176.35 1tvp n ASP 126 N 3.44 0.45 0.20 2.29 10.43 -1.26 -2.28 116.55 129.82 1tvp n ASP 126 Ca -0.06 0.62 0.07 0.00 2.57 0.00 0.00 54.79 57.99 1tvp n ASP 126 Cb 0.51 -0.71 0.38 0.00 1.84 0.00 0.00 41.12 43.14 1tvp n ASP 126 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1tvp h ASN 127 N 0.00 0.00 -2.96 -2.24 4.21 -1.90 -3.43 115.58 109.25 1tvp h ASN 127 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1tvp h ASN 127 Cb 0.29 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1tvp h ASN 127 CO 0.00 0.31 0.84 -0.69 -1.29 0.00 0.00 177.43 176.60 1tvp s VAL 128 N -3.60 4.29 -0.09 2.81 1.01 -0.97 -0.51 120.40 123.35 1tvp s VAL 128 Ca 0.01 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1tvp s VAL 128 Cb 0.10 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1tvp s VAL 128 CO 0.67 -0.10 -0.23 -0.63 0.00 0.00 0.00 175.10 174.80 1tvp s ILE 129 N 3.14 2.18 -0.24 2.22 1.01 -0.48 -4.54 121.20 124.49 1tvp s ILE 129 Ca 0.55 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1tvp s ILE 129 Cb -0.22 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1tvp s ILE 129 CO 0.16 0.56 0.26 -0.31 0.00 0.00 0.00 174.94 175.61 1tvp s TYR 130 N 0.20 3.30 -0.47 3.97 2.02 -0.99 -0.51 117.35 124.88 1tvp s TYR 130 Ca -0.14 0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1tvp s TYR 130 Cb -0.17 -2.40 0.12 0.00 -0.40 0.00 0.00 41.96 39.11 1tvp s TYR 130 CO 0.07 -0.05 0.24 -2.00 -1.57 0.00 0.00 175.55 172.24 1tvp s GLU 131 N 1.43 2.03 0.05 -0.62 2.12 -0.35 -0.04 118.70 123.32 1tvp s GLU 131 Ca 0.11 -2.15 0.22 0.00 0.36 0.00 0.00 54.97 53.52 1tvp s GLU 131 Cb -0.15 -3.50 0.91 0.00 0.26 0.00 0.00 34.13 31.65 1tvp s GLU 131 CO 0.07 -1.08 1.69 0.44 -0.54 0.00 0.00 175.26 175.85 1tvp n ILE 132 N 4.00 0.57 -3.02 -3.70 -5.35 -1.14 -1.51 119.36 109.21 1tvp n ILE 132 Ca 0.03 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 1tvp n ILE 132 Cb 0.39 -0.79 -0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1tvp n ILE 132 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1tvp s TYR 133 N -3.04 -1.39 0.00 4.28 6.14 -1.26 -4.77 117.35 117.30 1tvp s TYR 133 Ca 0.10 0.06 0.00 0.00 0.64 0.00 0.00 57.07 57.87 1tvp s TYR 133 Cb 0.13 0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.77 1tvp s TYR 133 CO 0.41 -0.98 0.63 -1.71 0.64 0.00 0.00 175.55 174.54 1tvp n ASN 134 N 3.94 0.00 -3.57 4.32 5.15 -0.93 -3.26 115.26 120.90 1tvp n ASN 134 Ca 0.11 0.63 -0.29 0.00 -0.60 0.00 0.00 54.58 54.43 1tvp n ASN 134 Cb 0.58 -0.23 -0.13 0.00 -0.53 0.00 0.00 39.78 39.47 1tvp n ASN 134 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1tvp s GLU 135 N -2.19 0.64 0.64 1.20 2.02 -0.58 -4.70 118.70 115.73 1tvp s GLU 135 Ca 0.00 -1.24 -0.17 0.00 0.02 0.00 0.00 54.97 53.58 1tvp s GLU 135 Cb 0.00 -1.58 -0.01 0.00 0.10 0.00 0.00 34.13 32.64 1tvp s GLU 135 CO 0.00 -1.12 1.20 -2.14 0.02 0.00 0.00 175.26 173.22 1tvp s PRO 136 N 1.25 2.70 0.00 0.39 0.02 -1.25 -4.15 135.00 133.96 1tvp s PRO 136 Ca 0.15 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1tvp s PRO 136 Cb -0.21 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1tvp s PRO 136 CO -0.12 -1.40 0.00 1.28 -0.33 0.00 0.00 177.00 176.43 1tvp n LEU 137 N -2.00 0.00 -3.67 -5.54 4.77 -1.26 -0.61 117.00 108.69 1tvp n LEU 137 Ca 0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 1tvp n LEU 137 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1tvp n LEU 137 CO 0.46 0.00 2.55 0.00 -1.33 0.00 0.00 177.39 179.07 1tvp n GLN 138 N 0.00 3.45 -4.20 3.23 6.02 -1.26 -0.26 117.38 124.36 1tvp n GLN 138 Ca 0.00 -2.92 -0.28 0.00 -0.01 0.00 0.00 57.00 53.79 1tvp n GLN 138 Cb 0.00 -3.01 -0.04 0.00 1.02 0.00 0.00 30.24 28.20 1tvp n GLN 138 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1tvp s ILE 139 N 1.61 1.70 -0.06 5.09 -4.36 -1.26 -4.96 121.20 118.96 1tvp s ILE 139 Ca 0.49 -1.69 -0.30 0.00 -0.26 0.00 0.00 60.65 58.90 1tvp s ILE 139 Cb 0.14 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 1tvp s ILE 139 CO -0.06 0.00 1.00 -0.55 0.24 0.00 0.00 174.94 175.58 1tvp s SER 140 N -4.06 7.29 0.00 4.36 0.15 -1.26 -4.78 113.70 115.40 1tvp s SER 140 Ca 0.28 1.60 -0.25 0.00 0.70 0.00 0.00 55.95 58.29 1tvp s SER 140 Cb 0.01 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 61.60 1tvp s SER 140 CO 0.16 -0.37 1.12 -0.25 1.20 0.00 0.00 173.24 175.10 1tvp h TRP 141 N 6.98 -0.56 -0.74 3.44 2.91 -1.97 0.64 115.95 126.65 1tvp h TRP 141 Ca -0.35 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.61 1tvp h TRP 141 Cb 1.18 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.98 1tvp h TRP 141 CO 0.70 -0.24 0.30 -0.39 -1.03 0.00 0.00 178.44 177.78 1tvp h VAL 142 N -0.97 1.25 0.00 2.65 -1.51 -1.93 0.27 116.25 116.00 1tvp h VAL 142 Ca -0.06 -0.78 -0.07 0.00 -1.23 0.00 0.00 66.70 64.55 1tvp h VAL 142 Cb 0.58 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1tvp h VAL 142 CO 0.10 0.32 -1.62 0.59 -1.23 0.00 0.00 177.57 175.73 1tvp n ASN 143 N -4.34 0.43 -0.03 4.19 3.02 -1.25 -4.25 115.26 113.03 1tvp n ASN 143 Ca 0.06 0.18 -0.07 0.00 -0.03 0.00 0.00 54.58 54.71 1tvp n ASN 143 Cb 0.18 1.05 -0.02 0.00 -0.61 0.00 0.00 39.78 40.37 1tvp n ASN 143 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1tvp n ASP 144 N -2.57 1.18 -0.03 6.41 10.43 0.10 -4.69 116.55 127.39 1tvp n ASP 144 Ca -0.07 0.18 -0.13 0.00 2.57 0.00 0.00 54.79 57.34 1tvp n ASP 144 Cb 0.68 -0.43 -0.11 0.00 1.84 0.00 0.00 41.12 43.10 1tvp n ASP 144 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1tvp h ILE 145 N -0.41 1.50 -0.45 0.53 2.04 -1.15 -3.19 117.51 116.37 1tvp h ILE 145 Ca -0.13 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.30 1tvp h ILE 145 Cb 0.78 2.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.29 1tvp h ILE 145 CO -0.08 0.39 0.17 0.50 0.00 0.00 0.00 178.15 179.13 1tvp h LYS 146 N -0.59 0.34 -0.73 2.37 3.64 -0.68 0.10 116.57 121.01 1tvp h LYS 146 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1tvp h LYS 146 Cb 0.65 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1tvp h LYS 146 CO 0.00 0.22 0.24 -1.35 -2.27 0.00 0.00 179.45 176.30 1tvp h PRO 147 N 0.35 1.12 -0.40 1.90 0.11 -1.74 -0.76 132.00 132.58 1tvp h PRO 147 Ca 0.21 -0.23 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1tvp h PRO 147 Cb 0.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1tvp h PRO 147 CO -0.20 0.95 0.16 -0.92 -0.21 0.00 0.00 178.00 177.78 1tvp h TYR 148 N 1.07 0.60 -0.30 0.65 3.20 -1.45 -2.16 116.97 118.59 1tvp h TYR 148 Ca 0.24 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1tvp h TYR 148 Cb 0.28 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1tvp h TYR 148 CO 0.02 0.53 0.19 0.00 -1.64 0.00 0.00 178.16 177.26 1tvp h ALA 149 N 1.01 0.38 -0.67 1.82 0.00 -0.46 -0.70 119.26 120.63 1tvp h ALA 149 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1tvp h ALA 149 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1tvp h ALA 149 CO -0.01 -0.14 0.42 0.93 0.00 0.00 0.00 179.25 180.45 1tvp h GLU 150 N 0.39 0.81 -0.03 0.00 5.08 -1.03 0.24 114.58 120.03 1tvp h GLU 150 Ca 0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1tvp h GLU 150 Cb -0.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1tvp h GLU 150 CO -0.02 0.53 0.02 1.15 -1.00 0.00 0.00 179.01 179.69 1tvp h THR 151 N 0.83 1.08 -0.45 1.13 2.02 -1.06 -1.76 112.91 114.71 1tvp h THR 151 Ca 0.27 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 1tvp h THR 151 Cb 0.00 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1tvp h THR 151 CO -0.10 0.06 -0.13 0.58 0.37 0.00 0.00 175.52 176.30 1tvp h VAL 152 N -0.04 1.27 -0.64 3.16 2.07 -0.82 -1.77 116.25 119.48 1tvp h VAL 152 Ca 0.01 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1tvp h VAL 152 Cb 0.09 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1tvp h VAL 152 CO -0.00 0.43 0.40 0.40 0.02 0.00 0.00 177.57 178.81 1tvp h ILE 153 N 0.72 1.08 -0.45 4.57 2.04 -0.45 -0.45 117.51 124.56 1tvp h ILE 153 Ca 0.11 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 1tvp h ILE 153 Cb 0.68 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1tvp h ILE 153 CO 0.05 0.14 -0.12 0.44 0.00 0.00 0.00 178.15 178.66 1tvp h ASP 154 N 0.77 0.82 -0.57 1.72 3.32 -1.16 -0.52 116.42 120.80 1tvp h ASP 154 Ca 0.26 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1tvp h ASP 154 Cb 0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1tvp h ASP 154 CO -0.11 0.96 0.02 0.11 -1.72 0.00 0.00 179.24 178.50 1tvp h LYS 155 N 0.74 0.99 -0.20 3.56 1.79 -0.81 -2.55 116.57 120.10 1tvp h LYS 155 Ca 0.12 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1tvp h LYS 155 Cb 0.62 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1tvp h LYS 155 CO 0.04 0.98 0.01 0.82 -1.08 0.00 0.00 179.45 180.22 1tvp h ILE 156 N 0.88 1.25 0.00 1.86 2.04 -0.88 -3.18 117.51 119.48 1tvp h ILE 156 Ca 0.16 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1tvp h ILE 156 Cb 0.51 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1tvp h ILE 156 CO 0.02 0.25 0.00 0.54 0.00 0.00 0.00 178.15 178.97 1tvp n ARG 157 N -4.71 0.13 0.17 2.37 1.74 -0.22 -0.41 116.66 115.72 1tvp n ARG 157 Ca -0.04 0.42 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 1tvp n ARG 157 Cb 0.22 -1.77 0.39 0.00 -1.02 0.00 0.00 32.46 30.27 1tvp n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tvp h ALA 158 N 2.27 1.00 0.00 7.54 0.00 -1.43 -3.16 119.26 125.48 1tvp h ALA 158 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1tvp h ALA 158 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1tvp h ALA 158 CO 0.00 0.00 -1.91 -0.89 0.00 0.00 0.00 179.25 176.45 1tvp n ILE 159 N -2.62 0.89 -3.79 0.00 5.41 -0.60 -4.90 119.36 113.75 1tvp n ILE 159 Ca 0.04 -0.24 -0.30 0.00 1.00 0.00 0.00 62.75 63.25 1tvp n ILE 159 Cb 0.41 -1.65 -0.14 0.00 -0.71 0.00 0.00 39.64 37.55 1tvp n ILE 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1tvp s ASP 160 N -6.37 3.97 0.43 4.38 3.68 0.45 -4.96 116.67 118.25 1tvp s ASP 160 Ca -0.23 -2.45 0.20 0.00 2.13 0.00 0.00 52.55 52.21 1tvp s ASP 160 Cb 0.08 -1.17 0.99 0.00 -1.45 0.00 0.00 42.92 41.37 1tvp s ASP 160 CO 0.29 -0.30 1.89 1.55 0.13 0.00 0.00 175.17 178.73 1tvp h PRO 161 N 7.06 0.00 -4.81 4.34 0.13 -1.78 -3.33 132.00 133.60 1tvp h PRO 161 Ca -0.05 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.42 1tvp h PRO 161 Cb 0.95 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.89 1tvp h PRO 161 CO 0.52 0.27 -0.51 -0.51 -0.23 0.00 0.00 178.00 177.53 1tvp s ASP 162 N -6.46 5.93 0.00 1.44 1.11 -1.26 -4.95 116.67 112.48 1tvp s ASP 162 Ca -0.02 -0.25 0.00 0.00 0.18 0.00 0.00 52.55 52.46 1tvp s ASP 162 Cb 0.13 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 42.01 1tvp s ASP 162 CO 0.66 -0.14 0.00 -0.46 1.18 0.00 0.00 175.17 176.40 1tvp n ASN 163 N 5.06 0.00 -4.62 0.27 0.23 -1.26 -5.01 115.26 109.94 1tvp n ASN 163 Ca -0.14 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.57 1tvp n ASN 163 Cb 0.51 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.11 1tvp n ASN 163 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1tvp s LEU 164 N 0.00 3.72 -0.11 -4.53 2.96 -1.26 -4.73 118.68 114.73 1tvp s LEU 164 Ca 0.00 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1tvp s LEU 164 Cb 0.00 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1tvp s LEU 164 CO 0.00 0.19 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.40 1tvp s ILE 165 N 0.26 1.76 -0.22 6.68 1.01 -0.96 -2.34 121.20 127.39 1tvp s ILE 165 Ca 0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 1tvp s ILE 165 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1tvp s ILE 165 CO 0.01 0.49 0.07 -0.69 0.00 0.00 0.00 174.94 174.82 1tvp s VAL 166 N 0.77 4.53 -0.18 2.92 1.01 0.95 -0.89 120.40 129.51 1tvp s VAL 166 Ca -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1tvp s VAL 166 Cb -0.16 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1tvp s VAL 166 CO 0.01 0.39 0.03 -0.69 0.00 0.00 0.00 175.10 174.84 1tvp s VAL 167 N 1.03 4.43 0.68 2.92 1.01 -0.11 -2.87 120.40 127.48 1tvp s VAL 167 Ca 0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1tvp s VAL 167 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1tvp s VAL 167 CO 0.03 0.46 1.26 -0.83 0.00 0.00 0.00 175.10 176.02 1tvp s GLY 168 N 0.50 2.65 0.31 4.51 0.00 -1.20 -1.29 107.32 112.81 1tvp s GLY 168 Ca 0.01 1.08 0.11 0.00 0.00 0.00 0.00 44.72 45.92 1tvp s GLY 168 CO 0.02 1.50 -0.12 -0.51 0.00 0.00 0.00 173.10 173.99 1tvp s THR 169 N -1.63 2.50 0.77 0.90 -4.23 -1.26 -4.82 115.64 107.88 1tvp s THR 169 Ca 0.79 -2.24 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 1tvp s THR 169 Cb -0.34 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1tvp s THR 169 CO 0.42 -0.31 0.93 -2.65 -0.54 0.00 0.00 174.62 172.48 1tvp n PRO 170 N -0.74 0.30 -3.24 3.99 -0.02 -1.26 -1.21 135.00 132.81 1tvp n PRO 170 Ca -0.05 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1tvp n PRO 170 Cb 0.61 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1tvp n PRO 170 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1tvp n THR 171 N -2.86 -8.91 -3.88 3.45 -1.04 0.64 -1.62 114.28 100.07 1tvp n THR 171 Ca 0.12 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.05 61.28 1tvp n THR 171 Cb 0.50 -6.23 0.02 0.00 -1.82 0.00 0.00 70.33 62.80 1tvp n THR 171 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1tvp n TRP 172 N -2.45 -2.07 -3.76 -1.42 8.01 0.22 -2.32 117.44 113.65 1tvp n TRP 172 Ca -0.06 0.86 -0.26 0.00 -1.31 0.00 0.00 57.50 56.74 1tvp n TRP 172 Cb 0.56 -4.01 0.04 0.00 -2.01 0.00 0.00 31.31 25.90 1tvp n TRP 172 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1tvp n SER 173 N -2.91 -4.10 -0.07 -0.99 7.64 -0.35 -4.48 113.62 108.36 1tvp n SER 173 Ca -0.10 -0.72 -0.09 0.00 1.01 0.00 0.00 58.87 58.97 1tvp n SER 173 Cb 0.59 -4.27 -0.09 0.00 -1.01 0.00 0.00 64.21 59.42 1tvp n SER 173 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tvp n GLN 174 N -4.62 1.20 -0.94 1.43 6.02 -0.91 -0.76 117.38 118.80 1tvp n GLN 174 Ca -0.07 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.78 1tvp n GLN 174 Cb 0.58 -1.33 -0.10 0.00 1.02 0.00 0.00 30.24 30.41 1tvp n GLN 174 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1tvp n ASP 175 N -2.71 5.53 0.24 1.08 10.43 -0.64 -4.48 116.55 125.99 1tvp n ASP 175 Ca -0.25 -2.39 0.10 0.00 2.57 0.00 0.00 54.79 54.82 1tvp n ASP 175 Cb 0.87 -1.28 0.58 0.00 1.84 0.00 0.00 41.12 43.13 1tvp n ASP 175 CO 0.00 0.00 0.00 -0.37 -1.07 0.00 0.00 177.20 175.76 1tvp h VAL 176 N 2.51 0.70 -0.42 2.53 -1.51 -1.85 -2.13 116.25 116.08 1tvp h VAL 176 Ca 0.37 -0.85 -0.08 0.00 -1.23 0.00 0.00 66.70 64.90 1tvp h VAL 176 Cb 0.92 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1tvp h VAL 176 CO 0.77 0.20 -0.07 -2.24 -1.23 0.00 0.00 177.57 175.00 1tvp h ASP 177 N 0.00 0.79 -0.33 4.19 2.03 -1.78 0.25 116.42 121.56 1tvp h ASP 177 Ca -0.00 -0.35 -0.04 0.00 -0.73 0.00 0.00 57.03 55.91 1tvp h ASP 177 Cb 0.52 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1tvp h ASP 177 CO 0.03 0.95 0.05 0.58 -1.03 0.00 0.00 179.24 179.81 1tvp h VAL 178 N 0.61 1.24 -0.68 4.15 2.07 -1.76 -2.48 116.25 119.40 1tvp h VAL 178 Ca 0.11 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1tvp h VAL 178 Cb 0.58 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1tvp h VAL 178 CO 0.03 0.28 0.41 0.00 0.02 0.00 0.00 177.57 178.31 1tvp h ALA 179 N 0.89 1.44 0.00 1.67 0.00 -1.22 -2.01 119.26 120.03 1tvp h ALA 179 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tvp h ALA 179 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tvp h ALA 179 CO 0.01 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.40 1tvp h SER 180 N 0.94 0.00 1.57 0.00 4.64 -0.48 -2.26 113.55 117.96 1tvp h SER 180 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1tvp h SER 180 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1tvp h SER 180 CO -0.05 0.00 -0.04 1.56 -0.87 0.00 0.00 176.83 177.43 1tvp h GLN 181 N 0.00 0.00 -1.51 4.77 4.20 -1.20 -3.37 115.11 118.00 1tvp h GLN 181 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 1tvp h GLN 181 Cb 0.20 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 27.66 1tvp h GLN 181 CO 0.00 0.04 -0.91 0.09 -0.67 0.00 0.00 178.83 177.38 1tvp n ASN 182 N -3.12 -0.86 -4.69 1.46 4.13 -0.86 -5.15 115.26 106.17 1tvp n ASN 182 Ca 0.02 -2.81 -0.31 0.00 1.68 0.00 0.00 54.58 53.17 1tvp n ASN 182 Cb 0.46 0.10 0.15 0.00 -1.54 0.00 0.00 39.78 38.95 1tvp n ASN 182 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1tvp s PRO 183 N -0.45 1.26 0.00 3.52 0.02 -1.16 -4.96 135.00 133.24 1tvp s PRO 183 Ca 0.34 1.44 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 1tvp s PRO 183 Cb 0.16 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.87 1tvp s PRO 183 CO -0.15 -2.43 0.84 0.42 -0.33 0.00 0.00 177.00 175.35 1tvp s ILE 184 N -2.71 4.86 -1.23 2.83 1.01 -1.26 -4.98 121.20 119.72 1tvp s ILE 184 Ca 0.65 1.77 -0.13 0.00 0.00 0.00 0.00 60.65 62.94 1tvp s ILE 184 Cb -0.21 -4.18 0.17 0.00 0.01 0.00 0.00 42.46 38.24 1tvp s ILE 184 CO 0.58 0.25 1.52 -0.67 0.00 0.00 0.00 174.94 176.62 1tvp n ASP 185 N 3.50 5.20 -3.77 3.58 2.03 -1.26 -4.90 116.55 120.94 1tvp n ASP 185 Ca 0.01 -3.00 -0.10 0.00 0.52 0.00 0.00 54.79 52.22 1tvp n ASP 185 Cb 0.51 -1.55 -0.07 0.00 -0.72 0.00 0.00 41.12 39.29 1tvp n ASP 185 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1tvp s ARG 186 N 1.32 0.88 0.56 -0.67 1.81 -1.26 -5.16 118.95 116.43 1tvp s ARG 186 Ca 0.42 -0.73 -0.16 0.00 -1.72 0.00 0.00 55.73 53.54 1tvp s ARG 186 Cb -0.00 0.37 -0.05 0.00 -0.45 0.00 0.00 34.95 34.81 1tvp s ARG 186 CO 0.00 -0.30 1.03 0.00 -0.68 0.00 0.00 175.30 175.36 1tvp s ALA 187 N -3.34 2.85 -1.35 2.13 0.00 -1.26 -4.27 121.76 116.52 1tvp s ALA 187 Ca 0.01 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.18 1tvp s ALA 187 Cb 0.02 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1tvp s ALA 187 CO -0.08 -0.60 0.44 0.09 0.00 0.00 0.00 175.76 175.60 1tvp n ASN 188 N -1.82 -1.83 -4.44 0.00 3.02 -1.26 -4.87 115.26 104.05 1tvp n ASN 188 Ca 0.08 -1.16 -0.33 0.00 -0.03 0.00 0.00 54.58 53.14 1tvp n ASN 188 Cb 0.53 -2.36 -0.13 0.00 -0.61 0.00 0.00 39.78 37.21 1tvp n ASN 188 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1tvp s ILE 189 N -3.88 3.37 0.34 2.41 -1.09 -1.26 -2.28 121.20 118.82 1tvp s ILE 189 Ca 0.21 -0.56 0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1tvp s ILE 189 Cb -0.10 -2.43 -0.06 0.00 -1.58 0.00 0.00 42.46 38.30 1tvp s ILE 189 CO 0.94 0.53 -0.02 0.00 -1.23 0.00 0.00 174.94 175.15 1tvp s ALA 190 N 0.16 3.12 -0.02 9.38 0.00 -0.07 -4.60 121.76 129.73 1tvp s ALA 190 Ca -0.05 -2.02 0.08 0.00 0.00 0.00 0.00 51.96 49.96 1tvp s ALA 190 Cb -0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1tvp s ALA 190 CO 0.04 0.06 -0.25 0.71 0.00 0.00 0.00 175.76 176.33 1tvp s TYR 191 N -2.56 2.21 0.13 0.00 1.51 0.32 -0.93 117.35 118.03 1tvp s TYR 191 Ca 0.34 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.67 1tvp s TYR 191 Cb 0.01 -1.42 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1tvp s TYR 191 CO 0.18 -0.04 1.28 0.99 -1.11 0.00 0.00 175.55 176.85 1tvp s THR 192 N -0.57 3.53 -0.15 -0.71 2.01 -0.41 -1.58 115.64 117.78 1tvp s THR 192 Ca 0.09 1.17 -0.00 0.00 0.31 0.00 0.00 61.69 63.26 1tvp s THR 192 Cb -0.10 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1tvp s THR 192 CO -0.01 0.13 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.76 1tvp s LEU 193 N 0.55 1.48 0.02 4.42 2.96 -1.01 -4.27 118.68 122.83 1tvp s LEU 193 Ca 0.59 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1tvp s LEU 193 Cb -0.34 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 1tvp s LEU 193 CO 0.33 -0.15 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.96 1tvp s HIS 194 N 1.64 2.24 0.11 5.38 3.76 0.06 -3.87 115.29 124.61 1tvp s HIS 194 Ca 0.03 -0.41 -0.23 0.00 -0.15 0.00 0.00 55.06 54.30 1tvp s HIS 194 Cb -0.14 -1.38 0.06 0.00 1.11 0.00 0.00 32.58 32.23 1tvp s HIS 194 CO -0.08 0.06 0.56 -0.59 -0.85 0.00 0.00 174.74 173.84 1tvp s PHE 195 N -0.72 -0.48 -0.18 1.40 -0.12 -1.21 -4.56 117.98 112.10 1tvp s PHE 195 Ca 0.11 0.36 -0.01 0.00 -0.05 0.00 0.00 56.93 57.34 1tvp s PHE 195 Cb -0.10 0.46 0.05 0.00 -0.63 0.00 0.00 43.02 42.80 1tvp s PHE 195 CO 0.01 -0.76 -0.01 0.71 -0.05 0.00 0.00 175.22 175.11 1tvp s TYR 196 N -3.27 1.46 0.53 3.49 2.02 -1.26 -1.20 117.35 119.12 1tvp s TYR 196 Ca -0.01 -1.04 0.39 0.00 -0.37 0.00 0.00 57.07 56.03 1tvp s TYR 196 Cb -0.00 -1.20 1.56 0.00 -0.40 0.00 0.00 41.96 41.92 1tvp s TYR 196 CO -0.08 -0.62 1.72 0.00 -1.57 0.00 0.00 175.55 174.99 1tvp h ALA 197 N 8.16 3.23 -0.00 3.71 0.00 -0.96 0.79 119.26 134.18 1tvp h ALA 197 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1tvp h ALA 197 Cb 1.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1tvp h ALA 197 CO 0.36 -1.67 -0.05 0.41 0.00 0.00 0.00 179.25 178.31 1tvp n GLY 198 N -1.77 -1.24 0.00 0.00 0.00 -0.15 -4.31 105.19 97.73 1tvp n GLY 198 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1tvp n GLY 198 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tvp n THR 199 N -1.25 0.00 -3.47 2.61 -1.04 -0.17 -4.82 114.28 106.14 1tvp n THR 199 Ca 0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 1tvp n THR 199 Cb 0.27 -0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 68.27 1tvp n THR 199 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tvp s HIS 200 N -1.75 3.24 0.00 -1.42 3.76 0.09 -5.03 115.29 114.18 1tvp s HIS 200 Ca 0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1tvp s HIS 200 Cb 0.00 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 31.01 1tvp s HIS 200 CO 0.00 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 173.66 1tvp n GLY 201 N 5.14 1.96 0.33 -2.22 0.00 -1.26 -4.58 105.19 104.56 1tvp n GLY 201 Ca -0.11 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.15 1tvp n GLY 201 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1tvp h GLN 202 N 0.00 0.48 -0.13 1.61 5.75 -1.99 -0.57 115.11 120.26 1tvp h GLN 202 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1tvp h GLN 202 Cb 0.00 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1tvp h GLN 202 CO 0.00 0.32 0.08 0.77 -2.65 0.00 0.00 178.83 177.35 1tvp h SER 203 N 0.49 0.15 0.61 -0.69 0.02 -1.99 0.28 113.55 112.44 1tvp h SER 203 Ca 0.60 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.34 1tvp h SER 203 Cb 1.12 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1tvp h SER 203 CO -0.50 0.12 -0.88 1.88 -1.14 0.00 0.00 176.83 176.31 1tvp h TYR 204 N 0.18 0.26 -0.03 3.45 -1.99 -1.45 -2.67 116.97 114.71 1tvp h TYR 204 Ca 0.05 -0.14 -0.15 0.00 2.00 0.00 0.00 58.73 60.48 1tvp h TYR 204 Cb -0.01 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1tvp h TYR 204 CO 0.00 0.96 -0.66 0.00 -0.00 0.00 0.00 178.16 178.46 1tvp h ARG 205 N 0.09 0.15 -0.57 4.88 3.08 -0.95 -2.79 114.38 118.28 1tvp h ARG 205 Ca -0.04 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1tvp h ARG 205 Cb 1.51 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.55 1tvp h ARG 205 CO 0.13 0.75 0.20 -0.91 -1.07 0.00 0.00 179.97 179.07 1tvp h ASN 206 N 0.11 0.77 -0.32 7.04 2.35 -0.25 0.42 115.58 125.70 1tvp h ASN 206 Ca -0.01 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1tvp h ASN 206 Cb 1.18 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1tvp h ASN 206 CO 0.10 0.71 -0.11 0.11 -1.65 0.00 0.00 177.43 176.59 1tvp h LYS 207 N 0.82 0.74 -0.23 0.81 1.57 -1.23 -1.38 116.57 117.67 1tvp h LYS 207 Ca 0.19 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1tvp h LYS 207 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1tvp h LYS 207 CO -0.01 0.82 -0.50 0.00 -0.57 0.00 0.00 179.45 179.19 1tvp h ALA 208 N 1.21 0.68 -0.65 3.86 0.00 -1.08 -2.41 119.26 120.87 1tvp h ALA 208 Ca 0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1tvp h ALA 208 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1tvp h ALA 208 CO 0.04 0.68 0.17 0.37 0.00 0.00 0.00 179.25 180.50 1tvp h GLN 209 N 0.51 1.02 -0.48 0.00 5.75 -0.55 -1.76 115.11 119.59 1tvp h GLN 209 Ca 0.02 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1tvp h GLN 209 Cb 1.05 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 1tvp h GLN 209 CO 0.10 0.89 0.29 1.15 -2.65 0.00 0.00 178.83 178.62 1tvp h THR 210 N 0.97 1.15 -0.41 2.39 2.02 -1.06 0.51 112.91 118.48 1tvp h THR 210 Ca 0.21 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1tvp h THR 210 Cb 0.33 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1tvp h THR 210 CO -0.00 0.15 0.25 0.00 0.37 0.00 0.00 175.52 176.29 1tvp h ALA 211 N 1.14 0.52 -0.78 6.16 0.00 -0.95 -0.25 119.26 125.10 1tvp h ALA 211 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1tvp h ALA 211 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1tvp h ALA 211 CO -0.03 -0.07 0.29 -0.07 0.00 0.00 0.00 179.25 179.37 1tvp h LEU 212 N 0.51 1.09 -1.45 0.00 3.38 -1.00 -1.94 115.31 115.90 1tvp h LEU 212 Ca 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1tvp h LEU 212 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1tvp h LEU 212 CO -0.06 0.98 -0.09 0.44 0.09 0.00 0.00 178.44 179.80 1tvp h ASP 213 N 1.14 0.23 -0.02 -0.43 3.32 -0.34 -1.43 116.42 118.89 1tvp h ASP 213 Ca 0.26 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1tvp h ASP 213 Cb 0.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1tvp h ASP 213 CO -0.02 0.36 0.00 0.59 -1.72 0.00 0.00 179.24 178.45 1tvp n ASN 214 N -4.31 0.27 0.00 6.45 3.02 -0.16 -4.93 115.26 115.61 1tvp n ASN 214 Ca -0.01 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.21 1tvp n ASN 214 Cb 0.24 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1tvp n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tvp n GLY 215 N 0.91 0.67 3.71 7.41 0.00 -0.54 -5.00 105.19 112.36 1tvp n GLY 215 Ca 0.17 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1tvp n GLY 215 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1tvp s ILE 216 N -2.00 4.25 0.18 -0.61 -4.36 -1.06 -3.54 121.20 114.07 1tvp s ILE 216 Ca 0.00 -0.74 -0.25 0.00 -0.26 0.00 0.00 60.65 59.41 1tvp s ILE 216 Cb 0.00 -2.97 -0.08 0.00 1.25 0.00 0.00 42.46 40.66 1tvp s ILE 216 CO 0.00 0.24 0.78 0.00 0.24 0.00 0.00 174.94 176.20 1tvp s ALA 217 N -1.23 3.43 0.10 2.27 0.00 -1.25 -4.25 121.76 120.83 1tvp s ALA 217 Ca 0.24 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1tvp s ALA 217 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1tvp s ALA 217 CO 0.16 0.29 -0.18 -0.51 0.00 0.00 0.00 175.76 175.52 1tvp s LEU 218 N -1.31 2.69 -0.12 0.00 1.43 -1.26 -0.52 118.68 119.59 1tvp s LEU 218 Ca 0.37 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1tvp s LEU 218 Cb -0.22 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.50 1tvp s LEU 218 CO 0.25 0.19 0.08 0.12 0.23 0.00 0.00 176.35 177.23 1tvp s PHE 219 N -1.10 0.13 -1.28 0.29 2.19 -0.61 -4.50 117.98 113.10 1tvp s PHE 219 Ca 0.17 -0.08 -0.14 0.00 0.33 0.00 0.00 56.93 57.21 1tvp s PHE 219 Cb -0.11 -0.60 0.12 0.00 -1.31 0.00 0.00 43.02 41.12 1tvp s PHE 219 CO 0.09 -0.39 1.71 0.00 1.83 0.00 0.00 175.22 178.46 1tvp n ALA 220 N 5.29 4.24 0.19 11.12 0.00 -0.44 -2.39 120.51 138.51 1tvp n ALA 220 Ca -0.05 -4.09 0.07 0.00 0.00 0.00 0.00 53.44 49.37 1tvp n ALA 220 Cb 0.49 -3.28 0.37 0.00 0.00 0.00 0.00 19.45 17.03 1tvp n ALA 220 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tvp n THR 221 N 5.01 1.29 -3.65 0.00 -2.24 -1.25 -1.57 114.28 111.87 1tvp n THR 221 Ca 0.43 0.53 -0.09 0.00 -2.27 0.00 0.00 64.05 62.66 1tvp n THR 221 Cb 0.42 -1.50 -0.08 0.00 -2.10 0.00 0.00 70.33 67.08 1tvp n THR 221 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1tvp s GLU 222 N -3.29 0.66 0.02 -0.78 2.12 -1.21 -4.17 118.70 112.05 1tvp s GLU 222 Ca 0.00 1.11 -0.28 0.00 0.36 0.00 0.00 54.97 56.16 1tvp s GLU 222 Cb 0.05 0.14 0.07 0.00 0.26 0.00 0.00 34.13 34.65 1tvp s GLU 222 CO 0.18 -0.14 0.65 1.67 -0.54 0.00 0.00 175.26 177.08 1tvp s TRP 223 N 1.43 -0.62 0.15 5.30 1.48 -0.98 -3.33 118.94 122.37 1tvp s TRP 223 Ca -0.09 0.85 0.06 0.00 -1.06 0.00 0.00 56.10 55.87 1tvp s TRP 223 Cb -0.06 0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 32.67 1tvp s TRP 223 CO -0.16 -0.69 -0.13 0.20 -4.06 0.00 0.00 176.95 172.11 1tvp s GLY 224 N -1.72 1.15 0.04 3.67 0.00 -0.34 -0.73 107.32 109.39 1tvp s GLY 224 Ca -0.07 -1.42 0.24 0.00 0.00 0.00 0.00 44.72 43.48 1tvp s GLY 224 CO 0.02 -1.50 1.34 -1.30 0.00 0.00 0.00 173.10 171.66 1tvp n THR 225 N 0.16 0.13 -2.17 0.90 -2.24 -1.26 -0.88 114.28 108.93 1tvp n THR 225 Ca -0.13 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1tvp n THR 225 Cb 0.59 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1tvp n THR 225 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1tvp n VAL 226 N -1.75 0.00 -1.52 2.28 0.24 -1.26 -1.23 118.33 115.08 1tvp n VAL 226 Ca 0.04 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.03 1tvp n VAL 226 Cb 0.38 -0.71 0.06 0.00 -1.47 0.00 0.00 33.84 32.10 1tvp n VAL 226 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1tvp s ASN 227 N -0.52 5.12 0.64 -1.34 0.01 0.06 -0.98 114.94 117.93 1tvp s ASN 227 Ca 0.00 1.72 0.30 0.00 -0.71 0.00 0.00 52.86 54.17 1tvp s ASN 227 Cb 0.00 -2.51 1.63 0.00 0.41 0.00 0.00 41.25 40.78 1tvp s ASN 227 CO 0.00 -1.62 1.95 0.00 -1.51 0.00 0.00 177.10 175.92 1tvp h ALA 228 N -0.71 1.56 -0.20 0.60 0.00 -1.84 0.67 119.26 119.34 1tvp h ALA 228 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1tvp h ALA 228 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1tvp h ALA 228 CO 0.55 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 1tvp n ASP 229 N -3.18 1.58 0.00 0.00 5.75 -1.26 -4.90 116.55 114.54 1tvp n ASP 229 Ca 0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1tvp n ASP 229 Cb 0.43 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1tvp n ASP 229 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tvp n GLY 230 N 1.08 0.51 2.72 6.12 0.00 0.23 -5.04 105.19 110.81 1tvp n GLY 230 Ca 0.14 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1tvp n GLY 230 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1tvp n ASN 231 N 0.95 0.32 0.00 1.61 2.85 -1.24 -1.29 115.26 118.47 1tvp n ASN 231 Ca 0.00 -2.81 0.00 0.00 -0.11 0.00 0.00 54.58 51.66 1tvp n ASN 231 Cb 0.00 1.11 0.00 0.00 1.24 0.00 0.00 39.78 42.13 1tvp n ASN 231 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tvp n GLY 232 N -0.41 -0.21 3.82 8.20 0.00 -1.26 -0.76 105.19 114.58 1tvp n GLY 232 Ca 0.01 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1tvp n GLY 232 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tvp s GLY 233 N -0.84 1.64 -0.08 -0.02 0.00 -1.26 -4.55 107.32 102.21 1tvp s GLY 233 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 1tvp s GLY 233 CO 0.00 0.22 0.97 0.14 0.00 0.00 0.00 173.10 174.43 1tvp s VAL 234 N -3.17 4.83 -0.67 1.40 1.01 -1.26 -4.33 120.40 118.20 1tvp s VAL 234 Ca 0.59 1.99 -0.15 0.00 0.00 0.00 0.00 61.98 64.41 1tvp s VAL 234 Cb -0.14 -4.29 0.17 0.00 0.00 0.00 0.00 36.38 32.12 1tvp s VAL 234 CO 0.54 0.06 0.63 0.21 0.00 0.00 0.00 175.10 176.54 1tvp s ASN 235 N 1.06 6.45 0.16 3.32 3.84 -0.37 -4.92 114.94 124.49 1tvp s ASN 235 Ca 0.48 -2.19 -0.13 0.00 0.21 0.00 0.00 52.86 51.23 1tvp s ASN 235 Cb -0.19 -2.21 0.04 0.00 -0.55 0.00 0.00 41.25 38.34 1tvp s ASN 235 CO 0.20 -0.74 1.67 0.40 -2.79 0.00 0.00 177.10 175.84 1tvp h ILE 236 N 5.39 1.24 -0.08 -5.21 1.08 -1.95 -1.65 117.51 116.34 1tvp h ILE 236 Ca -0.11 -0.85 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1tvp h ILE 236 Cb 1.07 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 1tvp h ILE 236 CO 0.91 0.31 -0.08 0.78 -0.69 0.00 0.00 178.15 179.38 1tvp h ASN 237 N 0.75 -0.26 -0.17 1.72 2.35 -1.97 0.10 115.58 118.10 1tvp h ASN 237 Ca 0.17 0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.80 1tvp h ASN 237 Cb 0.33 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1tvp h ASN 237 CO 0.00 -0.12 -0.50 -0.33 -1.65 0.00 0.00 177.43 174.83 1tvp h GLU 238 N -0.11 0.74 -0.39 0.81 4.39 -1.85 -2.13 114.58 116.05 1tvp h GLU 238 Ca 0.06 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1tvp h GLU 238 Cb 0.20 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1tvp h GLU 238 CO -0.14 1.07 0.25 1.15 -1.16 0.00 0.00 179.01 180.18 1tvp h THR 239 N 0.58 1.11 -0.49 1.13 2.02 -1.09 -0.33 112.91 115.84 1tvp h THR 239 Ca 0.02 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 1tvp h THR 239 Cb 1.08 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1tvp h THR 239 CO 0.11 0.11 0.05 0.44 0.37 0.00 0.00 175.52 176.60 1tvp h ASP 240 N 0.52 0.73 -0.45 4.18 3.32 -0.93 -0.14 116.42 123.65 1tvp h ASP 240 Ca 0.14 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1tvp h ASP 240 Cb -0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1tvp h ASP 240 CO -0.03 0.77 0.01 0.00 -1.72 0.00 0.00 179.24 178.27 1tvp h ALA 241 N 1.32 0.60 -0.40 3.45 0.00 -0.85 -1.34 119.26 122.04 1tvp h ALA 241 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1tvp h ALA 241 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1tvp h ALA 241 CO 0.01 0.38 -0.10 -1.49 0.00 0.00 0.00 179.25 178.05 1tvp h TRP 242 N 0.63 0.87 -0.36 0.00 4.06 -0.79 -1.92 115.95 118.44 1tvp h TRP 242 Ca 0.13 -0.19 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 1tvp h TRP 242 Cb 0.47 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1tvp h TRP 242 CO 0.04 0.91 -0.07 0.52 -3.56 0.00 0.00 178.44 176.28 1tvp h MET 243 N 0.59 0.60 -0.42 0.49 2.86 -0.93 -0.27 114.93 117.84 1tvp h MET 243 Ca 0.10 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1tvp h MET 243 Cb 0.63 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1tvp h MET 243 CO 0.04 0.67 -0.02 0.00 1.06 0.00 0.00 176.91 178.66 1tvp h ALA 244 N 1.37 0.57 -0.86 6.32 0.00 -1.15 0.91 119.26 126.43 1tvp h ALA 244 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1tvp h ALA 244 Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1tvp h ALA 244 CO 0.02 0.37 0.47 0.35 0.00 0.00 0.00 179.25 180.47 1tvp h PHE 245 N 0.59 1.18 -0.22 0.00 3.57 -0.87 -1.56 116.94 119.62 1tvp h PHE 245 Ca 0.12 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1tvp h PHE 245 Cb 0.51 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1tvp h PHE 245 CO 0.04 0.82 -0.22 0.74 -2.23 0.00 0.00 178.31 177.45 1tvp h PHE 246 N 1.20 0.66 -0.60 0.41 0.05 -0.69 -3.12 116.94 114.85 1tvp h PHE 246 Ca 0.30 -0.20 0.03 0.00 3.82 0.00 0.00 57.97 61.93 1tvp h PHE 246 Cb 0.03 -0.14 -0.04 0.00 2.00 0.00 0.00 35.95 37.80 1tvp h PHE 246 CO 0.01 0.89 0.36 -0.22 -0.18 0.00 0.00 178.31 179.16 1tvp h LYS 247 N 0.24 0.68 -0.06 1.51 3.64 -0.58 -0.73 116.57 121.26 1tvp h LYS 247 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1tvp h LYS 247 Cb 0.78 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1tvp h LYS 247 CO 0.06 0.45 0.00 0.25 -2.27 0.00 0.00 179.45 177.93 1tvp n THR 248 N -4.76 0.09 -0.78 1.00 -2.24 -0.61 -3.26 114.28 103.72 1tvp n THR 248 Ca 0.06 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1tvp n THR 248 Cb 0.10 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1tvp n THR 248 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tvp n ASN 249 N -0.34 0.43 -3.88 3.42 3.02 -0.86 -5.02 115.26 112.03 1tvp n ASN 249 Ca 0.04 -1.20 -0.29 0.00 -0.03 0.00 0.00 54.58 53.10 1tvp n ASN 249 Cb 0.07 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1tvp n ASN 249 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tvp n ASN 250 N -0.10 -4.56 -4.62 6.41 3.02 -0.46 -4.94 115.26 110.01 1tvp n ASN 250 Ca 0.00 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.38 1tvp n ASN 250 Cb 0.42 -3.97 -0.08 0.00 -0.61 0.00 0.00 39.78 35.54 1tvp n ASN 250 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1tvp s ILE 251 N -3.34 5.10 0.59 2.41 1.01 -0.41 -4.63 121.20 121.93 1tvp s ILE 251 Ca 0.60 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.94 1tvp s ILE 251 Cb -0.30 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1tvp s ILE 251 CO 0.82 0.11 1.02 -0.44 0.00 0.00 0.00 174.94 176.45 1tvp s SER 252 N 1.52 6.29 0.10 3.58 0.01 -1.26 -4.66 113.70 119.28 1tvp s SER 252 Ca 0.20 1.50 -0.18 0.00 1.31 0.00 0.00 55.95 58.77 1tvp s SER 252 Cb -0.16 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.63 1tvp s SER 252 CO 0.09 -0.82 0.45 -1.38 0.41 0.00 0.00 173.24 171.98 1tvp s HIS 253 N -2.96 -0.29 -0.09 2.43 -3.43 -0.61 -1.33 115.29 109.01 1tvp s HIS 253 Ca 0.57 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 1tvp s HIS 253 Cb -0.11 0.30 0.02 0.00 -1.43 0.00 0.00 32.58 31.36 1tvp s HIS 253 CO 0.46 -0.69 -0.07 0.00 -2.00 0.00 0.00 174.74 172.44 1tvp s ALA 254 N -3.33 1.12 0.17 -1.38 0.00 -0.61 -2.20 121.76 115.53 1tvp s ALA 254 Ca -0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 1tvp s ALA 254 Cb 0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 1tvp s ALA 254 CO -0.09 -0.24 0.76 1.21 0.00 0.00 0.00 175.76 177.41 1tvp s ASN 255 N 1.38 7.33 -0.26 0.00 3.84 -0.74 -2.31 114.94 124.18 1tvp s ASN 255 Ca -0.02 1.60 -0.11 0.00 0.21 0.00 0.00 52.86 54.54 1tvp s ASN 255 Cb -0.14 -2.48 -0.05 0.00 -0.55 0.00 0.00 41.25 38.03 1tvp s ASN 255 CO -0.04 0.19 0.19 0.86 -2.79 0.00 0.00 177.10 175.51 1tvp s TRP 256 N -1.20 3.27 0.00 0.43 -0.11 0.09 0.24 118.94 121.66 1tvp s TRP 256 Ca 0.36 0.19 -0.19 0.00 1.22 0.00 0.00 56.10 57.69 1tvp s TRP 256 Cb -0.22 -2.35 0.04 0.00 -1.50 0.00 0.00 33.47 29.44 1tvp s TRP 256 CO 0.25 -0.06 0.41 0.00 -4.62 0.00 0.00 176.95 172.93 1tvp s ALA 257 N 1.46 -1.04 -0.72 5.86 0.00 -0.14 -4.65 121.76 122.53 1tvp s ALA 257 Ca 0.08 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 1tvp s ALA 257 Cb -0.15 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1tvp s ALA 257 CO 0.08 -0.35 1.26 -1.17 0.00 0.00 0.00 175.76 175.58 1tvp s LEU 258 N -1.55 3.25 0.14 0.00 0.20 0.17 -0.91 118.68 119.98 1tvp s LEU 258 Ca -0.10 -0.44 -0.24 0.00 0.69 0.00 0.00 54.13 54.04 1tvp s LEU 258 Cb -0.03 -2.60 0.08 0.00 -0.43 0.00 0.00 46.19 43.22 1tvp s LEU 258 CO 0.03 -1.79 1.09 0.21 -0.29 0.00 0.00 176.35 175.59 1tvp s ASN 259 N 3.68 -0.02 -0.05 3.68 2.47 -1.26 -3.15 114.94 120.28 1tvp s ASN 259 Ca 0.35 -0.53 0.08 0.00 0.42 0.00 0.00 52.86 53.18 1tvp s ASN 259 Cb -0.08 0.42 0.13 0.00 -1.45 0.00 0.00 41.25 40.26 1tvp s ASN 259 CO 0.16 -0.82 1.06 -0.90 -3.72 0.00 0.00 177.10 172.88 1tvp n ASP 260 N -1.05 0.97 -4.73 -4.21 5.75 -1.26 -2.08 116.55 109.94 1tvp n ASP 260 Ca -0.03 -2.46 -0.35 0.00 -0.01 0.00 0.00 54.79 51.94 1tvp n ASP 260 Cb 0.60 -0.30 0.07 0.00 -1.03 0.00 0.00 41.12 40.46 1tvp n ASP 260 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1tvp s LYS 261 N -1.18 2.49 -1.09 0.11 2.20 -1.26 -3.75 119.74 117.26 1tvp s LYS 261 Ca 0.14 1.85 -0.19 0.00 -0.36 0.00 0.00 55.97 57.41 1tvp s LYS 261 Cb 0.12 -1.86 -0.07 0.00 -1.51 0.00 0.00 37.83 34.51 1tvp s LYS 261 CO 0.01 -1.59 2.05 -1.71 -0.36 0.00 0.00 175.35 173.75 1tvp n ASN 262 N -2.19 3.17 -3.72 1.43 5.15 -1.26 -4.65 115.26 113.19 1tvp n ASN 262 Ca 0.14 -2.75 -0.14 0.00 -0.60 0.00 0.00 54.58 51.23 1tvp n ASN 262 Cb 0.50 -1.38 -0.08 0.00 -0.53 0.00 0.00 39.78 38.28 1tvp n ASN 262 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1tvp s GLU 263 N 4.29 0.72 0.50 1.20 -1.05 -1.26 -5.07 118.70 118.02 1tvp s GLU 263 Ca 0.53 -0.06 0.22 0.00 -0.15 0.00 0.00 54.97 55.52 1tvp s GLU 263 Cb 0.13 0.33 1.29 0.00 -0.44 0.00 0.00 34.13 35.44 1tvp s GLU 263 CO 0.03 -0.20 1.99 0.78 0.95 0.00 0.00 175.26 178.81 1tvp h GLY 264 N 3.85 0.19 2.00 -3.83 0.00 -1.78 -2.58 103.07 100.91 1tvp h GLY 264 Ca -0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1tvp h GLY 264 CO 0.39 0.02 -0.05 0.00 0.00 0.00 0.00 176.54 176.89 1tvp h ALA 265 N 1.73 1.04 -2.81 3.60 0.00 -1.49 -3.40 119.26 117.93 1tvp h ALA 265 Ca 0.26 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.59 1tvp h ALA 265 Cb 0.89 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.75 1tvp h ALA 265 CO -0.03 0.07 0.85 -1.12 0.00 0.00 0.00 179.25 179.01 1tvp s SER 266 N -5.76 6.43 0.24 0.00 0.01 -0.98 -0.97 113.70 112.67 1tvp s SER 266 Ca -0.00 2.91 -0.01 0.00 1.31 0.00 0.00 55.95 60.15 1tvp s SER 266 Cb 0.10 -2.64 0.29 0.00 0.21 0.00 0.00 66.02 63.98 1tvp s SER 266 CO 0.54 -0.86 1.66 -0.07 0.41 0.00 0.00 173.24 174.93 1tvp h LEU 267 N 4.63 0.63 -9.56 2.44 3.38 -0.93 -3.38 115.31 112.51 1tvp h LEU 267 Ca -0.47 -0.23 -0.64 0.00 0.09 0.00 0.00 57.88 56.63 1tvp h LEU 267 Cb 1.22 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 1tvp h LEU 267 CO 0.77 0.87 -0.63 -0.36 0.09 0.00 0.00 178.44 179.18 1tvp s PHE 268 N -4.51 3.11 0.72 1.13 2.99 -0.88 -1.09 117.98 119.45 1tvp s PHE 268 Ca -0.08 0.04 -0.12 0.00 0.00 0.00 0.00 56.93 56.77 1tvp s PHE 268 Cb 0.13 -1.59 0.03 0.00 0.00 0.00 0.00 43.02 41.60 1tvp s PHE 268 CO 0.81 0.50 1.09 0.95 -0.00 0.00 0.00 175.22 178.58 1tvp s THR 269 N -1.35 3.40 -0.10 0.64 -4.23 -0.65 -4.38 115.64 108.98 1tvp s THR 269 Ca 0.28 0.52 -0.36 0.00 -1.18 0.00 0.00 61.69 60.95 1tvp s THR 269 Cb -0.12 -3.04 -0.13 0.00 1.34 0.00 0.00 72.50 70.55 1tvp s THR 269 CO 0.20 -0.53 1.78 -2.65 -0.54 0.00 0.00 174.62 172.88 1tvp n PRO 270 N -3.10 1.85 -0.98 3.99 -0.02 -1.25 0.06 135.00 135.57 1tvp n PRO 270 Ca 0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1tvp n PRO 270 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1tvp n PRO 270 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tvp n GLY 271 N 4.14 0.71 2.18 -1.23 0.00 -1.26 -5.01 105.19 104.72 1tvp n GLY 271 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1tvp n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvp n GLY 272 N -2.29 1.09 0.00 -0.02 0.00 0.11 -5.14 105.19 98.94 1tvp n GLY 272 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1tvp n GLY 272 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tvp n SER 273 N -2.85 0.00 0.25 1.61 2.88 -1.26 -4.76 113.62 109.49 1tvp n SER 273 Ca 0.09 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.81 1tvp n SER 273 Cb 0.33 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.65 1tvp n SER 273 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1tvp h TRP 274 N 0.00 0.00 -0.00 0.66 4.06 -2.00 0.18 115.95 118.85 1tvp h TRP 274 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1tvp h TRP 274 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1tvp h TRP 274 CO 0.00 0.00 -0.43 0.09 -3.56 0.00 0.00 178.44 174.54 1tvp n ASN 275 N -3.36 0.88 -3.36 -3.49 3.02 -1.26 -4.47 115.26 103.22 1tvp n ASN 275 Ca 0.01 -0.68 -0.26 0.00 -0.03 0.00 0.00 54.58 53.62 1tvp n ASN 275 Cb 0.37 0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.74 1tvp n ASN 275 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1tvp n SER 276 N -1.02 1.77 -4.84 6.41 2.88 0.05 -5.11 113.62 113.76 1tvp n SER 276 Ca 0.09 -3.00 -0.32 0.00 -1.33 0.00 0.00 58.87 54.30 1tvp n SER 276 Cb 0.35 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 1tvp n SER 276 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1tvp s LEU 277 N -1.60 3.74 0.88 2.46 1.43 -1.25 -1.63 118.68 122.71 1tvp s LEU 277 Ca 0.36 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 1tvp s LEU 277 Cb 0.13 -4.45 0.19 0.00 0.03 0.00 0.00 46.19 42.09 1tvp s LEU 277 CO -0.08 -0.50 1.21 0.42 0.23 0.00 0.00 176.35 177.63 1tvp s THR 278 N -2.46 2.02 0.27 5.49 -4.23 -0.25 -4.68 115.64 111.80 1tvp s THR 278 Ca 0.59 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1tvp s THR 278 Cb -0.10 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.17 1tvp s THR 278 CO 0.26 0.00 1.87 -1.28 -0.54 0.00 0.00 174.62 174.94 1tvp h SER 279 N -1.25 0.92 -0.18 3.99 0.87 -1.89 -0.08 113.55 115.92 1tvp h SER 279 Ca -0.40 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1tvp h SER 279 Cb 1.24 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1tvp h SER 279 CO 0.36 0.78 0.03 -1.28 -0.53 0.00 0.00 176.83 176.18 1tvp h SER 280 N 1.01 0.29 -0.91 6.23 0.87 -1.84 -2.58 113.55 116.62 1tvp h SER 280 Ca 0.25 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1tvp h SER 280 Cb 0.11 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1tvp h SER 280 CO -0.03 0.48 0.60 1.23 -0.53 0.00 0.00 176.83 178.58 1tvp h GLY 281 N 0.09 1.28 1.03 5.77 0.00 -1.57 -0.24 103.07 109.43 1tvp h GLY 281 Ca 0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1tvp h GLY 281 CO 0.00 0.44 0.28 1.76 0.00 0.00 0.00 176.54 179.03 1tvp h SER 282 N 1.20 1.01 -0.19 0.19 0.02 -0.91 -0.38 113.55 114.50 1tvp h SER 282 Ca 0.34 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1tvp h SER 282 Cb -0.10 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 1tvp h SER 282 CO -0.08 0.92 -0.23 0.50 -1.14 0.00 0.00 176.83 176.80 1tvp h LYS 283 N 1.05 0.48 -0.68 3.45 1.63 -1.01 -3.13 116.57 118.37 1tvp h LYS 283 Ca 0.24 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1tvp h LYS 283 Cb 0.23 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 1tvp h LYS 283 CO -0.02 0.85 0.37 0.28 -3.45 0.00 0.00 179.45 177.49 1tvp h VAL 284 N 0.14 1.20 -0.32 2.00 2.07 -0.94 -2.01 116.25 118.38 1tvp h VAL 284 Ca 0.02 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1tvp h VAL 284 Cb 0.78 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1tvp h VAL 284 CO 0.05 0.22 0.17 0.50 0.02 0.00 0.00 177.57 178.54 1tvp h LYS 285 N 0.94 0.34 -0.53 1.57 3.64 -1.05 -0.84 116.57 120.64 1tvp h LYS 285 Ca 0.24 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1tvp h LYS 285 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1tvp h LYS 285 CO -0.04 0.23 -0.04 0.93 -2.27 0.00 0.00 179.45 178.26 1tvp h GLU 286 N 0.35 0.94 -0.14 1.90 5.08 -1.40 -0.58 114.58 120.74 1tvp h GLU 286 Ca 0.13 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1tvp h GLU 286 Cb 0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1tvp h GLU 286 CO -0.08 0.96 0.04 0.82 -1.00 0.00 0.00 179.01 179.74 1tvp h ILE 287 N 0.86 1.20 -0.37 3.13 2.04 -1.06 -0.83 117.51 122.49 1tvp h ILE 287 Ca 0.15 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1tvp h ILE 287 Cb 0.56 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1tvp h ILE 287 CO 0.03 0.19 -0.03 0.40 0.00 0.00 0.00 178.15 178.74 1tvp h ILE 288 N 0.04 1.27 -0.35 -0.67 2.04 -1.10 -1.68 117.51 117.05 1tvp h ILE 288 Ca 0.05 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1tvp h ILE 288 Cb 0.25 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1tvp h ILE 288 CO 0.00 0.35 0.01 1.56 0.00 0.00 0.00 178.15 180.06 1tvp h GLN 289 N 0.48 0.54 -0.01 2.37 4.20 -0.87 -2.39 115.11 119.43 1tvp h GLN 289 Ca 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1tvp h GLN 289 Cb 0.50 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1tvp h GLN 289 CO 0.02 0.56 -0.09 0.41 -0.67 0.00 0.00 178.83 179.07 1tvp n GLY 290 N -0.88 -0.61 0.00 3.46 0.00 -0.32 -5.00 105.19 101.84 1tvp n GLY 290 Ca 0.02 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1tvp n GLY 290 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19