#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n77 s VAL 2 N 0.00 1.85 -0.12 3.17 1.01 -1.26 -4.90 120.40 120.15 1n77 s VAL 2 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1n77 s VAL 2 Cb 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1n77 s VAL 2 CO 0.00 0.51 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 1n77 s VAL 3 N 0.74 1.13 0.46 2.92 1.01 -1.26 -0.49 120.40 124.91 1n77 s VAL 3 Ca -0.10 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1n77 s VAL 3 Cb -0.16 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1n77 s VAL 3 CO 0.01 0.38 0.19 0.42 0.00 0.00 0.00 175.10 176.11 1n77 s THR 4 N 1.61 1.97 0.20 3.92 -4.23 0.26 -1.52 115.64 117.86 1n77 s THR 4 Ca 0.04 -1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 1n77 s THR 4 Cb -0.13 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.07 1n77 s THR 4 CO -0.08 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 174.60 1n77 s ARG 5 N -3.97 1.45 -0.02 3.99 1.04 -1.26 -0.48 118.95 119.69 1n77 s ARG 5 Ca 0.34 -0.75 0.03 0.00 -1.04 0.00 0.00 55.73 54.31 1n77 s ARG 5 Cb 0.03 0.57 -0.00 0.00 -2.04 0.00 0.00 34.95 33.50 1n77 s ARG 5 CO 0.19 -0.64 -0.12 -1.50 -0.04 0.00 0.00 175.30 173.20 1n77 s ILE 6 N -3.84 0.96 -0.57 4.99 1.10 -0.35 -4.78 121.20 118.70 1n77 s ILE 6 Ca 0.07 -0.48 0.07 0.00 -0.51 0.00 0.00 60.65 59.79 1n77 s ILE 6 Cb -0.02 -0.82 0.25 0.00 0.15 0.00 0.00 42.46 42.01 1n77 s ILE 6 CO -0.04 0.28 0.67 0.00 -2.11 0.00 0.00 174.94 173.74 1n77 n ALA 7 N 3.06 3.58 -1.53 1.50 0.00 -1.25 -1.04 120.51 124.83 1n77 n ALA 7 Ca -0.16 -4.36 -0.34 0.00 0.00 0.00 0.00 53.44 48.57 1n77 n ALA 7 Cb 0.55 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 19.17 1n77 n ALA 7 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n77 s PRO 8 N -2.06 2.69 -0.16 0.00 0.02 -1.17 -4.50 135.00 129.83 1n77 s PRO 8 Ca 0.38 1.59 -0.02 0.00 0.02 0.00 0.00 61.00 62.97 1n77 s PRO 8 Cb 0.15 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.73 1n77 s PRO 8 CO -0.05 -1.37 -0.08 -1.12 -0.33 0.00 0.00 177.00 174.06 1n77 s SER 9 N -2.18 4.39 -1.19 2.53 0.01 -1.26 0.33 113.70 116.33 1n77 s SER 9 Ca 0.71 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 57.56 1n77 s SER 9 Cb -0.25 -1.71 0.14 0.00 0.21 0.00 0.00 66.02 64.42 1n77 s SER 9 CO 0.40 0.13 1.47 -2.84 0.41 0.00 0.00 173.24 172.81 1n77 s PRO 10 N 0.56 4.00 -0.19 12.44 0.02 -1.26 -4.61 135.00 145.96 1n77 s PRO 10 Ca -0.05 -2.31 0.21 0.00 0.02 0.00 0.00 61.00 58.87 1n77 s PRO 10 Cb -0.15 -5.17 0.48 0.00 0.02 0.00 0.00 34.50 29.68 1n77 s PRO 10 CO 0.03 -1.89 1.14 0.25 -0.33 0.00 0.00 177.00 176.20 1n77 n THR 11 N 5.19 1.12 -3.44 0.99 -2.24 -1.26 -4.81 114.28 109.82 1n77 n THR 11 Ca 0.38 -2.57 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 1n77 n THR 11 Cb 0.44 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1n77 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n77 n GLY 12 N -0.35 -1.32 3.75 3.38 0.00 -1.26 -5.13 105.19 104.26 1n77 n GLY 12 Ca 0.11 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1n77 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n77 s ASP 13 N -3.72 4.87 0.07 1.61 1.01 -1.26 -4.88 116.67 114.37 1n77 s ASP 13 Ca 0.00 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 1n77 s ASP 13 Cb 0.00 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1n77 s ASP 13 CO 0.00 -1.81 1.91 -2.16 0.21 0.00 0.00 175.17 173.32 1n77 s PRO 14 N -3.62 4.14 0.06 8.23 0.04 -1.26 -4.91 135.00 137.68 1n77 s PRO 14 Ca 0.75 2.60 -0.18 0.00 0.04 0.00 0.00 61.00 64.21 1n77 s PRO 14 Cb -0.29 -3.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.25 1n77 s PRO 14 CO 0.38 -0.91 0.53 -1.58 0.04 0.00 0.00 177.00 175.46 1n77 s HIS 15 N 3.79 3.78 0.50 0.56 2.46 -1.26 -1.03 115.29 124.09 1n77 s HIS 15 Ca 0.85 1.19 0.15 0.00 0.47 0.00 0.00 55.06 57.72 1n77 s HIS 15 Cb -0.44 -2.44 1.19 0.00 -0.13 0.00 0.00 32.58 30.76 1n77 s HIS 15 CO 0.39 0.60 2.12 -0.24 -2.47 0.00 0.00 174.74 175.14 1n77 h VAL 16 N 3.54 1.03 -0.30 0.89 3.04 -1.00 -0.90 116.25 122.55 1n77 h VAL 16 Ca -0.50 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.04 1n77 h VAL 16 Cb 1.21 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1n77 h VAL 16 CO 0.63 0.03 -0.00 1.23 -1.01 0.00 0.00 177.57 178.45 1n77 h GLY 17 N 0.13 0.49 0.84 3.17 0.00 -1.94 -0.94 103.07 104.82 1n77 h GLY 17 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1n77 h GLY 17 CO -0.00 0.26 -0.14 -0.84 0.00 0.00 0.00 176.54 175.82 1n77 h THR 18 N 0.44 1.31 -0.82 4.70 2.02 -1.57 -1.75 112.91 117.25 1n77 h THR 18 Ca 0.10 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.05 1n77 h THR 18 Cb 0.30 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 1n77 h THR 18 CO 0.01 0.38 0.53 0.00 0.37 0.00 0.00 175.52 176.82 1n77 h ALA 19 N 0.69 1.06 0.33 6.16 0.00 -1.22 0.28 119.26 126.57 1n77 h ALA 19 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n77 h ALA 19 Cb 0.66 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n77 h ALA 19 CO 0.04 0.39 -0.27 -0.92 0.00 0.00 0.00 179.25 178.49 1n77 h TYR 20 N 1.06 -0.72 -0.74 0.00 3.20 -0.96 0.45 116.97 119.26 1n77 h TYR 20 Ca 0.32 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 1n77 h TYR 20 Cb -0.05 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1n77 h TYR 20 CO -0.02 -0.40 0.24 0.82 -1.64 0.00 0.00 178.16 177.16 1n77 h ILE 21 N -0.61 1.26 -0.57 1.81 5.03 -1.01 -2.73 117.51 120.70 1n77 h ILE 21 Ca -0.02 -0.89 0.01 0.00 -0.12 0.00 0.00 64.86 63.83 1n77 h ILE 21 Cb 0.54 0.43 -0.03 0.00 -3.03 0.00 0.00 36.82 34.73 1n77 h ILE 21 CO -0.02 0.35 0.37 0.00 -0.68 0.00 0.00 178.15 178.18 1n77 h ALA 22 N 1.16 0.72 -0.86 1.87 0.00 -0.08 -1.83 119.26 120.25 1n77 h ALA 22 Ca 0.24 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1n77 h ALA 22 Cb 0.29 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1n77 h ALA 22 CO -0.01 0.15 0.50 1.25 0.00 0.00 0.00 179.25 181.14 1n77 h LEU 23 N 0.76 0.72 -0.22 0.00 5.85 0.20 0.11 115.31 122.73 1n77 h LEU 23 Ca 0.21 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.79 1n77 h LEU 23 Cb -0.09 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1n77 h LEU 23 CO -0.05 0.40 -0.90 -0.26 -0.34 0.00 0.00 178.44 177.30 1n77 h PHE 24 N 0.83 0.05 -0.26 1.25 -1.00 -1.29 -2.32 116.94 114.20 1n77 h PHE 24 Ca 0.41 -0.03 -0.12 0.00 2.81 0.00 0.00 57.97 61.04 1n77 h PHE 24 Cb 0.38 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1n77 h PHE 24 CO -0.05 0.91 -0.32 -0.91 -1.61 0.00 0.00 178.31 176.33 1n77 h ASN 25 N 0.01 0.73 -0.11 2.17 4.21 -0.74 -1.75 115.58 120.11 1n77 h ASN 25 Ca -0.02 -0.50 0.03 0.00 1.21 0.00 0.00 56.30 57.03 1n77 h ASN 25 Cb 1.57 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 38.53 1n77 h ASN 25 CO 0.12 1.08 -0.10 0.22 -1.29 0.00 0.00 177.43 177.46 1n77 h TYR 26 N 0.40 -0.25 -0.16 1.19 5.03 -0.80 -2.19 116.97 120.20 1n77 h TYR 26 Ca 0.03 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1n77 h TYR 26 Cb 0.90 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.30 1n77 h TYR 26 CO 0.08 -0.15 0.08 0.00 -1.32 0.00 0.00 178.16 176.84 1n77 h ALA 27 N 0.96 0.20 -0.88 1.82 0.00 -1.39 -1.82 119.26 118.16 1n77 h ALA 27 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1n77 h ALA 27 Cb 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1n77 h ALA 27 CO -0.18 -0.24 0.57 2.35 0.00 0.00 0.00 179.25 181.76 1n77 h TRP 28 N 0.13 1.03 0.52 0.00 -0.00 -1.16 0.19 115.95 116.66 1n77 h TRP 28 Ca 0.05 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1n77 h TRP 28 Cb 0.12 -0.34 0.01 0.00 -0.00 0.00 0.00 29.16 28.94 1n77 h TRP 28 CO -0.03 0.57 -0.25 0.00 -0.00 0.00 0.00 178.44 178.73 1n77 h ALA 29 N 1.51 -0.70 -0.92 2.65 0.00 -1.21 -2.84 119.26 117.74 1n77 h ALA 29 Ca 0.36 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1n77 h ALA 29 Cb 0.12 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1n77 h ALA 29 CO -0.12 -0.74 0.57 0.00 0.00 0.00 0.00 179.25 178.95 1n77 h ARG 30 N -0.99 0.96 -0.33 0.00 2.47 -0.99 0.23 114.38 115.73 1n77 h ARG 30 Ca -0.07 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1n77 h ARG 30 Cb 0.62 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1n77 h ARG 30 CO 0.12 0.64 0.18 -0.09 0.56 0.00 0.00 179.97 181.38 1n77 h ARG 31 N 0.99 0.44 -0.56 0.04 9.65 -0.63 -1.49 114.38 122.83 1n77 h ARG 31 Ca 0.42 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 1n77 h ARG 31 Cb 0.27 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1n77 h ARG 31 CO -0.21 0.33 0.00 0.09 2.80 0.00 0.00 179.97 182.98 1n77 n ASN 32 N -4.45 5.16 -3.85 -3.80 4.13 -0.53 -4.94 115.26 106.97 1n77 n ASN 32 Ca 0.02 -2.77 -0.25 0.00 1.68 0.00 0.00 54.58 53.25 1n77 n ASN 32 Cb 0.09 -0.63 0.01 0.00 -1.54 0.00 0.00 39.78 37.72 1n77 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n77 n GLY 33 N 0.64 -0.32 0.00 7.41 0.00 -0.51 -4.63 105.19 107.78 1n77 n GLY 33 Ca 0.26 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1n77 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n77 n GLY 34 N -1.71 4.95 3.39 -0.02 0.00 0.69 -4.79 105.19 107.71 1n77 n GLY 34 Ca -0.21 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 1n77 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n77 s ARG 35 N 2.17 2.06 -0.26 1.61 0.52 0.36 -4.64 118.95 120.77 1n77 s ARG 35 Ca 0.00 -0.97 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1n77 s ARG 35 Cb 0.00 -2.11 0.04 0.00 0.52 0.00 0.00 34.95 33.40 1n77 s ARG 35 CO 0.00 0.55 -0.07 0.12 0.02 0.00 0.00 175.30 175.92 1n77 s PHE 36 N -0.78 3.15 0.01 -0.53 5.99 -1.26 -0.58 117.98 123.98 1n77 s PHE 36 Ca 0.12 -1.87 -0.06 0.00 0.00 0.00 0.00 56.93 55.12 1n77 s PHE 36 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 43.02 40.85 1n77 s PHE 36 CO 0.02 -0.80 0.26 0.42 -0.00 0.00 0.00 175.22 175.12 1n77 s ILE 37 N 1.24 5.32 -0.16 3.12 1.01 0.36 -0.30 121.20 131.79 1n77 s ILE 37 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1n77 s ILE 37 Cb -0.18 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1n77 s ILE 37 CO -0.04 0.36 -0.19 -0.69 0.00 0.00 0.00 174.94 174.37 1n77 s VAL 38 N -1.31 1.95 -0.05 2.92 1.01 -0.04 -1.21 120.40 123.67 1n77 s VAL 38 Ca 0.28 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1n77 s VAL 38 Cb -0.13 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1n77 s VAL 38 CO 0.16 0.52 -0.23 -0.60 0.00 0.00 0.00 175.10 174.96 1n77 s ARG 39 N 1.19 2.34 -0.18 2.72 3.52 -0.21 -4.06 118.95 124.28 1n77 s ARG 39 Ca 0.01 -0.84 -0.16 0.00 -0.13 0.00 0.00 55.73 54.62 1n77 s ARG 39 Cb -0.14 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 1n77 s ARG 39 CO -0.09 0.36 0.38 0.42 -0.81 0.00 0.00 175.30 175.55 1n77 s ILE 40 N -0.14 5.23 -1.06 4.11 -1.09 0.30 -3.04 121.20 125.51 1n77 s ILE 40 Ca -0.03 0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 58.97 1n77 s ILE 40 Cb -0.13 -3.71 0.24 0.00 -1.58 0.00 0.00 42.46 37.28 1n77 s ILE 40 CO 0.03 0.31 1.10 -1.61 -1.23 0.00 0.00 174.94 173.53 1n77 s GLU 41 N 0.93 4.02 -0.58 2.79 2.02 0.15 -1.83 118.70 126.20 1n77 s GLU 41 Ca 0.19 -2.85 0.02 0.00 0.02 0.00 0.00 54.97 52.36 1n77 s GLU 41 Cb -0.14 -4.64 0.40 0.00 0.10 0.00 0.00 34.13 29.84 1n77 s GLU 41 CO 0.07 -1.38 1.49 -0.40 0.02 0.00 0.00 175.26 175.06 1n77 n ASP 42 N 3.75 5.88 -1.22 -0.19 3.85 -1.26 -4.11 116.55 123.24 1n77 n ASP 42 Ca 0.24 -3.77 0.12 0.00 -0.71 0.00 0.00 54.79 50.67 1n77 n ASP 42 Cb 0.42 -0.69 0.26 0.00 -1.35 0.00 0.00 41.12 39.76 1n77 n ASP 42 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1n77 n THR 43 N -0.54 0.73 -3.28 2.12 -2.24 -1.26 -4.41 114.28 105.39 1n77 n THR 43 Ca 0.46 -0.86 -0.46 0.00 -2.27 0.00 0.00 64.05 60.91 1n77 n THR 43 Cb 0.53 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 1n77 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n77 s ASP 44 N -1.25 6.85 0.45 3.42 2.15 -1.26 -4.88 116.67 122.14 1n77 s ASP 44 Ca 0.43 -2.78 0.32 0.00 0.43 0.00 0.00 52.55 50.94 1n77 s ASP 44 Cb 0.24 -2.23 1.47 0.00 -0.30 0.00 0.00 42.92 42.09 1n77 s ASP 44 CO 0.32 -0.58 1.61 0.03 -0.17 0.00 0.00 175.17 176.38 1n77 h ARG 45 N 7.69 0.06 0.00 4.34 3.08 -1.96 -2.99 114.38 124.60 1n77 h ARG 45 Ca 0.13 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1n77 h ARG 45 Cb 1.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1n77 h ARG 45 CO 0.84 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 1n77 n ALA 46 N -2.56 -0.24 -0.74 0.04 0.00 -1.26 -2.86 120.51 112.90 1n77 n ALA 46 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 1n77 n ALA 46 Cb 1.50 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 20.95 1n77 n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n77 n ARG 47 N -1.50 1.46 -3.69 0.00 1.74 -1.14 -4.86 116.66 108.68 1n77 n ARG 47 Ca 0.00 -0.51 -0.37 0.00 -0.77 0.00 0.00 57.85 56.20 1n77 n ARG 47 Cb 0.00 -1.45 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 1n77 n ARG 47 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1n77 s TYR 48 N 0.28 3.14 -0.01 -1.55 6.04 -1.13 -4.70 117.35 119.41 1n77 s TYR 48 Ca 0.29 -0.23 -0.00 0.00 0.04 0.00 0.00 57.07 57.17 1n77 s TYR 48 Cb 0.15 -2.29 0.02 0.00 -1.04 0.00 0.00 41.96 38.79 1n77 s TYR 48 CO -0.01 -0.29 0.02 0.08 -1.54 0.00 0.00 175.55 173.81 1n77 s VAL 49 N 1.67 -0.03 -0.77 3.14 1.01 -1.26 -5.03 120.40 119.13 1n77 s VAL 49 Ca 0.07 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1n77 s VAL 49 Cb -0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 36.38 36.10 1n77 s VAL 49 CO 0.06 0.05 2.15 -2.84 0.00 0.00 0.00 175.10 174.52 1n77 s PRO 50 N 0.56 2.18 0.00 2.72 0.02 -1.26 -3.15 135.00 136.07 1n77 s PRO 50 Ca -0.05 0.33 0.00 0.00 0.02 0.00 0.00 61.00 61.30 1n77 s PRO 50 Cb -0.07 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.65 1n77 s PRO 50 CO -0.02 -3.63 0.00 0.41 -0.33 0.00 0.00 177.00 173.43 1n77 n GLY 51 N 6.56 1.03 0.26 0.52 0.00 -1.26 -4.98 105.19 107.31 1n77 n GLY 51 Ca 0.39 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.54 1n77 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n77 h ALA 52 N 0.00 1.19 0.00 4.61 0.00 -1.91 -1.87 119.26 121.28 1n77 h ALA 52 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n77 h ALA 52 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n77 h ALA 52 CO 0.00 0.17 0.02 1.05 0.00 0.00 0.00 179.25 180.49 1n77 h GLU 53 N 0.00 0.00 -0.86 0.00 4.11 -1.88 -2.67 114.58 113.28 1n77 h GLU 53 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 1n77 h GLU 53 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1n77 h GLU 53 CO 0.02 0.00 0.56 1.05 0.07 0.00 0.00 179.01 180.71 1n77 h GLU 54 N 0.00 0.92 -0.49 1.06 4.11 -1.76 -2.29 114.58 116.13 1n77 h GLU 54 Ca 0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 1n77 h GLU 54 Cb 0.04 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1n77 h GLU 54 CO 0.00 0.61 0.08 0.00 0.07 0.00 0.00 179.01 179.78 1n77 h ARG 55 N 0.95 0.80 -0.11 1.06 3.08 -1.72 -1.75 114.38 116.69 1n77 h ARG 55 Ca 0.37 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 1n77 h ARG 55 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1n77 h ARG 55 CO -0.14 0.80 -0.51 0.97 -1.07 0.00 0.00 179.97 180.02 1n77 h ILE 56 N 0.67 1.35 -0.06 2.04 6.09 -1.66 -1.66 117.51 124.28 1n77 h ILE 56 Ca 0.15 -1.77 -0.13 0.00 -1.37 0.00 0.00 64.86 61.74 1n77 h ILE 56 Cb 0.38 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.49 1n77 h ILE 56 CO 0.01 0.53 -0.56 -0.07 -3.07 0.00 0.00 178.15 174.99 1n77 h LEU 57 N 0.24 0.20 -0.30 2.19 3.38 -1.31 -2.29 115.31 117.42 1n77 h LEU 57 Ca 0.01 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1n77 h LEU 57 Cb 0.99 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1n77 h LEU 57 CO 0.08 0.72 -0.53 0.00 0.09 0.00 0.00 178.44 178.80 1n77 h ALA 58 N 1.29 0.47 -0.75 1.53 0.00 -1.10 -2.64 119.26 118.06 1n77 h ALA 58 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1n77 h ALA 58 Cb 1.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1n77 h ALA 58 CO 0.08 0.67 0.33 0.00 0.00 0.00 0.00 179.25 180.33 1n77 h ALA 59 N 0.69 1.16 -0.54 0.00 0.00 -1.19 0.29 119.26 119.67 1n77 h ALA 59 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1n77 h ALA 59 Cb 1.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1n77 h ALA 59 CO 0.12 0.62 -0.11 -0.07 0.00 0.00 0.00 179.25 179.81 1n77 h LEU 60 N 1.08 1.03 -0.72 0.00 3.38 -1.36 -1.53 115.31 117.19 1n77 h LEU 60 Ca 0.25 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1n77 h LEU 60 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1n77 h LEU 60 CO -0.03 1.14 -0.61 0.11 0.09 0.00 0.00 178.44 179.14 1n77 h LYS 61 N 0.90 0.09 -0.74 1.13 1.57 -1.11 -1.90 116.57 116.51 1n77 h LYS 61 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1n77 h LYS 61 Cb 0.68 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1n77 h LYS 61 CO 0.05 0.68 0.28 2.35 -0.57 0.00 0.00 179.45 182.23 1n77 h TRP 62 N 0.07 1.15 0.00 -1.35 7.01 -0.09 -2.33 115.95 120.41 1n77 h TRP 62 Ca -0.01 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.90 1n77 h TRP 62 Cb 1.10 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1n77 h TRP 62 CO 0.01 0.89 0.00 1.28 -2.79 0.00 0.00 178.44 177.83 1n77 n LEU 63 N -4.31 0.23 0.00 0.65 4.77 -0.60 -4.82 117.00 112.92 1n77 n LEU 63 Ca 0.06 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1n77 n LEU 63 Cb 0.20 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1n77 n LEU 63 CO 0.41 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1n77 n GLY 64 N 0.41 0.97 3.88 -0.72 0.00 -0.88 -4.76 105.19 104.10 1n77 n GLY 64 Ca 0.04 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1n77 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n77 s LEU 65 N 0.00 4.23 -0.01 0.99 1.43 -0.73 -5.02 118.68 119.56 1n77 s LEU 65 Ca 0.00 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1n77 s LEU 65 Cb 0.00 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.76 1n77 s LEU 65 CO 0.00 0.00 -0.04 -0.94 0.23 0.00 0.00 176.35 175.60 1n77 s SER 66 N -2.28 0.59 0.18 2.29 1.04 -1.26 -4.06 113.70 110.20 1n77 s SER 66 Ca 0.43 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.84 1n77 s SER 66 Cb -0.12 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 1n77 s SER 66 CO 0.22 0.02 0.11 -0.72 0.98 0.00 0.00 173.24 173.84 1n77 s TYR 67 N 0.23 3.07 -0.42 5.02 1.13 -1.26 -4.92 117.35 120.20 1n77 s TYR 67 Ca -0.02 -0.06 0.23 0.00 -1.41 0.00 0.00 57.07 55.81 1n77 s TYR 67 Cb -0.06 -1.47 0.07 0.00 -1.10 0.00 0.00 41.96 39.41 1n77 s TYR 67 CO -0.00 0.52 1.06 -0.25 -2.51 0.00 0.00 175.55 174.37 1n77 n ASP 68 N -0.40 0.69 -3.84 -0.18 9.92 0.59 -4.89 116.55 118.43 1n77 n ASP 68 Ca -0.08 0.11 -0.12 0.00 -0.53 0.00 0.00 54.79 54.16 1n77 n ASP 68 Cb 0.55 0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 41.51 1n77 n ASP 68 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1n77 s GLU 69 N -3.28 0.31 0.00 -1.24 2.02 -1.20 -4.88 118.70 110.43 1n77 s GLU 69 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.96 1n77 s GLU 69 Cb 0.12 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1n77 s GLU 69 CO 0.79 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1n77 n GLY 70 N 2.34 -0.10 0.26 -1.39 0.00 -1.06 -0.86 105.19 104.38 1n77 n GLY 70 Ca -0.17 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 44.89 1n77 n GLY 70 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n77 h PRO 71 N 0.00 0.25 -0.54 1.61 0.11 -1.81 -1.16 132.00 130.47 1n77 h PRO 71 Ca 0.00 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1n77 h PRO 71 Cb 0.00 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 1n77 h PRO 71 CO 0.00 0.17 0.09 -0.40 -0.21 0.00 0.00 178.00 177.64 1n77 n ASP 72 N -5.16 4.80 0.00 -2.05 5.75 -1.26 -4.23 116.55 114.39 1n77 n ASP 72 Ca 0.13 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 1n77 n ASP 72 Cb 0.43 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1n77 n ASP 72 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1n77 n VAL 73 N -0.03 0.00 -3.84 2.12 0.31 -1.02 -5.15 118.33 110.72 1n77 n VAL 73 Ca 0.31 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.69 1n77 n VAL 73 Cb 1.18 1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 35.61 1n77 n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n77 n GLY 74 N 0.00 -1.35 0.00 2.92 0.00 -0.47 -4.73 105.19 101.56 1n77 n GLY 74 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1n77 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n77 n GLY 75 N -1.02 2.45 0.31 -0.02 0.00 -1.26 -2.56 105.19 103.08 1n77 n GLY 75 Ca 0.00 -0.85 0.20 0.00 0.00 0.00 0.00 46.02 45.36 1n77 n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n77 h PRO 76 N 0.00 0.00 -0.50 1.61 0.11 -1.97 -3.27 132.00 127.99 1n77 h PRO 76 Ca 0.00 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.74 1n77 h PRO 76 Cb 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 30.80 1n77 h PRO 76 CO 0.00 0.01 -0.76 0.72 -0.21 0.00 0.00 178.00 177.77 1n77 n HIS 77 N -3.16 1.80 -1.41 0.65 8.25 -1.26 -5.07 115.22 115.02 1n77 n HIS 77 Ca -0.02 -1.96 -0.30 0.00 -0.26 0.00 0.00 57.72 55.18 1n77 n HIS 77 Cb 0.18 -0.30 0.21 0.00 1.12 0.00 0.00 29.99 31.20 1n77 n HIS 77 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1n77 s GLY 78 N -3.47 1.65 0.86 -1.41 0.00 -1.24 -4.75 107.32 98.97 1n77 s GLY 78 Ca 0.45 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 1n77 s GLY 78 CO -0.00 -0.18 1.14 -4.14 0.00 0.00 0.00 173.10 169.92 1n77 s PRO 79 N -5.56 1.42 -0.20 2.90 0.02 -1.26 -5.09 135.00 127.24 1n77 s PRO 79 Ca 0.71 1.48 0.15 0.00 0.02 0.00 0.00 61.00 63.36 1n77 s PRO 79 Cb -0.08 -1.78 0.50 0.00 0.02 0.00 0.00 34.50 33.16 1n77 s PRO 79 CO 0.55 -2.32 1.40 0.66 -0.33 0.00 0.00 177.00 176.96 1n77 n TYR 80 N -3.93 0.86 -4.12 6.54 4.02 -1.26 -4.88 117.16 114.40 1n77 n TYR 80 Ca 0.11 -1.04 -0.27 0.00 -0.01 0.00 0.00 57.90 56.69 1n77 n TYR 80 Cb 0.52 -0.33 -0.17 0.00 -0.02 0.00 0.00 39.34 39.34 1n77 n TYR 80 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1n77 s ARG 81 N -2.92 1.79 0.50 -0.72 0.52 -1.26 -0.54 118.95 116.31 1n77 s ARG 81 Ca 0.41 -0.38 0.15 0.00 -0.52 0.00 0.00 55.73 55.40 1n77 s ARG 81 Cb 0.35 -1.69 1.19 0.00 0.52 0.00 0.00 34.95 35.32 1n77 s ARG 81 CO 0.06 -0.18 2.11 1.96 0.02 0.00 0.00 175.30 179.27 1n77 h GLN 82 N 7.84 0.12 0.00 3.54 4.20 -1.70 -1.45 115.11 127.67 1n77 h GLN 82 Ca -0.32 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1n77 h GLN 82 Cb 1.15 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 1n77 h GLN 82 CO 0.45 0.08 -0.03 0.66 -0.67 0.00 0.00 178.83 179.32 1n77 h SER 83 N 0.12 0.00 -0.01 1.46 4.64 -1.84 -1.01 113.55 116.92 1n77 h SER 83 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1n77 h SER 83 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1n77 h SER 83 CO -0.01 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1n77 n GLU 84 N -4.09 1.44 -0.92 4.77 1.02 -0.54 -3.96 120.64 118.35 1n77 n GLU 84 Ca -0.03 -0.64 0.04 0.00 -0.02 0.00 0.00 57.16 56.52 1n77 n GLU 84 Cb 0.11 -1.48 0.15 0.00 -0.02 0.00 0.00 31.44 30.20 1n77 n GLU 84 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1n77 n ARG 85 N -0.22 1.27 0.00 3.49 1.85 -0.38 -4.85 116.66 117.81 1n77 n ARG 85 Ca 0.21 -3.01 -0.09 0.00 -1.00 0.00 0.00 57.85 53.95 1n77 n ARG 85 Cb 0.27 -1.23 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1n77 n ARG 85 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1n77 h LEU 86 N 1.07 -0.59 -1.07 2.89 4.07 -1.68 -2.16 115.31 117.84 1n77 h LEU 86 Ca -0.05 0.10 0.24 0.00 0.08 0.00 0.00 57.88 58.25 1n77 h LEU 86 Cb 1.25 0.27 -0.11 0.00 1.08 0.00 0.00 40.66 43.15 1n77 h LEU 86 CO 0.06 -0.24 0.61 -0.65 -1.08 0.00 0.00 178.44 177.14 1n77 h PRO 87 N -0.24 0.57 0.08 1.13 0.11 -1.93 -0.50 132.00 131.23 1n77 h PRO 87 Ca 0.10 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.19 1n77 h PRO 87 Cb 0.39 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1n77 h PRO 87 CO -0.27 0.38 -0.24 1.25 -0.21 0.00 0.00 178.00 178.91 1n77 h LEU 88 N 0.59 -0.69 -0.65 2.35 5.85 -1.77 -0.03 115.31 120.96 1n77 h LEU 88 Ca 0.62 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.45 1n77 h LEU 88 Cb 1.20 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1n77 h LEU 88 CO -0.42 -0.32 0.40 1.88 -0.34 0.00 0.00 178.44 179.63 1n77 h TYR 89 N -0.42 0.75 -0.43 1.25 0.05 -1.02 -1.56 116.97 115.59 1n77 h TYR 89 Ca 0.04 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.86 1n77 h TYR 89 Cb 0.47 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 1n77 h TYR 89 CO -0.24 0.43 0.24 1.96 -1.05 0.00 0.00 178.16 179.50 1n77 h GLN 90 N 0.79 0.46 -0.02 4.88 4.20 -0.96 0.31 115.11 124.77 1n77 h GLN 90 Ca 0.26 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.97 1n77 h GLN 90 Cb 0.02 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1n77 h GLN 90 CO -0.10 0.31 -0.22 -0.22 -0.67 0.00 0.00 178.83 177.92 1n77 h LYS 91 N 0.48 -0.32 -0.17 1.46 3.64 -0.34 -1.89 116.57 119.42 1n77 h LYS 91 Ca 0.18 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1n77 h LYS 91 Cb 0.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1n77 h LYS 91 CO -0.10 -0.22 -0.31 1.88 -2.27 0.00 0.00 179.45 178.44 1n77 h TYR 92 N -0.34 0.39 -0.03 1.91 -1.99 -1.08 -2.11 116.97 113.72 1n77 h TYR 92 Ca 0.07 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.72 1n77 h TYR 92 Cb 0.43 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1n77 h TYR 92 CO -0.27 0.62 -0.02 0.00 -0.00 0.00 0.00 178.16 178.48 1n77 h ALA 93 N 1.38 0.00 -0.38 3.88 0.00 -0.55 -1.51 119.26 122.08 1n77 h ALA 93 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1n77 h ALA 93 Cb 0.70 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1n77 h ALA 93 CO 0.05 -0.51 0.18 0.93 0.00 0.00 0.00 179.25 179.90 1n77 h GLU 94 N -0.03 0.52 -0.71 0.00 5.08 -1.22 -1.26 114.58 116.96 1n77 h GLU 94 Ca 0.02 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1n77 h GLU 94 Cb 0.06 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1n77 h GLU 94 CO -0.05 0.41 0.45 1.49 -1.00 0.00 0.00 179.01 180.31 1n77 h GLU 95 N 0.52 0.86 -0.44 2.33 4.81 -0.60 0.18 114.58 122.24 1n77 h GLU 95 Ca 0.13 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1n77 h GLU 95 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1n77 h GLU 95 CO -0.02 0.57 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.53 1n77 h LEU 96 N 0.88 0.94 -0.16 1.64 3.38 -0.57 -1.68 115.31 119.74 1n77 h LEU 96 Ca 0.28 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1n77 h LEU 96 Cb 0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1n77 h LEU 96 CO -0.10 1.13 -0.08 0.25 0.09 0.00 0.00 178.44 179.73 1n77 h LEU 97 N 0.79 -0.25 -1.33 1.67 5.85 -0.11 -0.98 115.31 120.95 1n77 h LEU 97 Ca 0.10 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1n77 h LEU 97 Cb 0.79 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1n77 h LEU 97 CO 0.07 -0.10 -0.23 0.11 -0.34 0.00 0.00 178.44 177.94 1n77 h LYS 98 N -0.06 0.15 -0.02 1.25 6.56 -0.56 -2.47 116.57 121.43 1n77 h LYS 98 Ca 0.09 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1n77 h LYS 98 Cb 0.19 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1n77 h LYS 98 CO -0.20 0.39 0.00 0.54 -2.06 0.00 0.00 179.45 178.12 1n77 n ARG 99 N -4.20 1.12 -0.86 3.15 1.74 -0.55 -4.89 116.66 112.16 1n77 n ARG 99 Ca -0.01 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1n77 n ARG 99 Cb 0.33 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1n77 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n77 n GLY 100 N 0.94 0.76 0.10 -0.13 0.00 -0.58 -4.86 105.19 101.43 1n77 n GLY 100 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1n77 n GLY 100 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n77 n TRP 101 N -2.00 0.00 -3.84 1.61 7.02 -0.48 -4.84 117.44 114.90 1n77 n TRP 101 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1n77 n TRP 101 Cb 0.00 -0.14 -0.07 0.00 -2.42 0.00 0.00 31.31 28.68 1n77 n TRP 101 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n77 s ALA 102 N -2.34 -0.27 0.16 6.99 0.00 -1.17 0.31 121.76 125.43 1n77 s ALA 102 Ca 0.34 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1n77 s ALA 102 Cb 0.21 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1n77 s ALA 102 CO 0.44 -0.52 0.11 1.52 0.00 0.00 0.00 175.76 177.31 1n77 s TYR 103 N -3.85 0.94 -0.16 0.00 -0.85 -0.67 -4.46 117.35 108.30 1n77 s TYR 103 Ca 0.05 -1.26 -0.10 0.00 -0.52 0.00 0.00 57.07 55.24 1n77 s TYR 103 Cb 0.05 -0.47 -0.05 0.00 0.38 0.00 0.00 41.96 41.87 1n77 s TYR 103 CO -0.11 -0.59 0.18 1.03 -1.52 0.00 0.00 175.55 174.54 1n77 s ARG 104 N -4.09 4.00 -0.11 -3.49 0.52 -1.26 -1.08 118.95 113.44 1n77 s ARG 104 Ca 0.29 -0.10 0.04 0.00 -0.52 0.00 0.00 55.73 55.44 1n77 s ARG 104 Cb 0.07 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.19 1n77 s ARG 104 CO 0.06 0.43 -0.23 0.00 0.02 0.00 0.00 175.30 175.57 1n77 s ALA 105 N -0.04 2.15 -1.59 2.13 0.00 -0.42 -4.80 121.76 119.20 1n77 s ALA 105 Ca 0.12 -0.98 0.15 0.00 0.00 0.00 0.00 51.96 51.26 1n77 s ALA 105 Cb -0.12 -0.84 0.30 0.00 0.00 0.00 0.00 23.12 22.46 1n77 s ALA 105 CO 0.02 0.21 1.21 1.19 0.00 0.00 0.00 175.76 178.39 1n77 n PHE 106 N 3.65 0.38 -1.62 0.00 3.01 -1.26 -1.58 117.46 120.05 1n77 n PHE 106 Ca -0.19 -0.29 -0.42 0.00 1.01 0.00 0.00 57.45 57.55 1n77 n PHE 106 Cb 0.53 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1n77 n PHE 106 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1n77 n GLU 107 N 0.92 1.46 -2.29 -1.08 4.71 -1.26 -4.89 120.64 118.21 1n77 n GLU 107 Ca 0.13 0.52 -0.31 0.00 -0.01 0.00 0.00 57.16 57.49 1n77 n GLU 107 Cb 0.46 -2.02 -0.01 0.00 -1.01 0.00 0.00 31.44 28.85 1n77 n GLU 107 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1n77 s THR 108 N -1.19 4.67 0.55 2.62 -4.23 -1.26 -4.85 115.64 111.95 1n77 s THR 108 Ca 0.61 0.90 0.31 0.00 -1.18 0.00 0.00 61.69 62.33 1n77 s THR 108 Cb -0.60 -3.79 0.46 0.00 1.34 0.00 0.00 72.50 69.91 1n77 s THR 108 CO 0.59 -0.85 1.87 -0.65 -0.54 0.00 0.00 174.62 175.04 1n77 h PRO 109 N 0.44 0.00 0.10 3.99 0.11 -2.00 -0.26 132.00 134.37 1n77 h PRO 109 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1n77 h PRO 109 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n77 h PRO 109 CO 0.62 0.00 -0.70 0.93 -0.21 0.00 0.00 178.00 178.64 1n77 h GLU 110 N 0.00 0.21 -0.39 1.05 3.07 -2.00 -3.11 114.58 113.41 1n77 h GLU 110 Ca 0.38 -0.36 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 1n77 h GLU 110 Cb 1.63 0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 29.60 1n77 h GLU 110 CO -0.00 1.17 -0.08 0.93 -1.40 0.00 0.00 179.01 179.63 1n77 h GLU 111 N -0.53 0.02 -0.54 2.33 5.08 -1.44 -0.43 114.58 119.06 1n77 h GLU 111 Ca -0.13 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1n77 h GLU 111 Cb 1.49 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.67 1n77 h GLU 111 CO 0.09 0.01 0.18 -0.07 -1.00 0.00 0.00 179.01 178.23 1n77 h LEU 112 N 0.02 0.15 -1.31 1.33 3.38 -1.43 0.15 115.31 117.61 1n77 h LEU 112 Ca 0.19 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1n77 h LEU 112 Cb 0.29 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1n77 h LEU 112 CO -0.39 0.11 0.50 -0.08 0.09 0.00 0.00 178.44 178.67 1n77 h GLU 113 N 0.35 0.82 0.38 1.13 4.57 -1.14 0.22 114.58 120.90 1n77 h GLU 113 Ca 0.27 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1n77 h GLU 113 Cb 0.33 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1n77 h GLU 113 CO -0.29 0.54 -0.18 1.96 -1.18 0.00 0.00 179.01 179.86 1n77 h GLN 114 N 0.84 -0.49 -0.62 1.92 1.08 0.76 -1.93 115.11 116.67 1n77 h GLN 114 Ca 0.33 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.61 1n77 h GLN 114 Cb 0.21 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1n77 h GLN 114 CO -0.11 -0.26 0.34 0.82 -0.95 0.00 0.00 178.83 178.67 1n77 h ILE 115 N -0.64 0.97 0.00 2.54 5.03 0.05 -0.81 117.51 124.64 1n77 h ILE 115 Ca -0.05 -0.22 -0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1n77 h ILE 115 Cb 0.47 0.28 -0.00 0.00 -3.03 0.00 0.00 36.82 34.53 1n77 h ILE 115 CO 0.09 0.12 -0.01 -0.09 -0.68 0.00 0.00 178.15 177.57 1n77 h ARG 116 N 0.64 0.00 0.13 2.37 1.12 -0.53 -0.51 114.38 117.60 1n77 h ARG 116 Ca 0.28 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.96 1n77 h ARG 116 Cb 0.16 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1n77 h ARG 116 CO -0.17 0.01 -0.84 -0.22 -3.11 0.00 0.00 179.97 175.64 1n77 h LYS 117 N 0.00 0.28 0.02 0.20 3.11 -0.36 -2.41 116.57 117.42 1n77 h LYS 117 Ca -0.00 -0.48 -0.00 0.00 -2.81 0.00 0.00 60.65 57.36 1n77 h LYS 117 Cb 0.35 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1n77 h LYS 117 CO 0.00 1.23 -0.01 0.93 -2.81 0.00 0.00 179.45 178.79 1n77 h GLU 118 N -0.40 -0.03 -0.12 1.90 4.39 -1.08 -3.38 114.58 115.86 1n77 h GLU 118 Ca -0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1n77 h GLU 118 Cb 1.63 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1n77 h GLU 118 CO 0.14 -0.02 0.00 1.63 -1.16 0.00 0.00 179.01 179.59 1n77 n LYS 119 N -3.23 1.64 -2.97 2.33 4.76 -0.22 -4.99 118.16 115.49 1n77 n LYS 119 Ca -0.00 -0.96 -0.10 0.00 -2.87 0.00 0.00 58.31 54.37 1n77 n LYS 119 Cb 0.01 -1.40 0.01 0.00 -1.84 0.00 0.00 35.03 31.81 1n77 n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n77 n GLY 120 N 1.11 -1.77 0.00 0.72 0.00 -0.91 -4.90 105.19 99.43 1n77 n GLY 120 Ca 0.17 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1n77 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n77 n GLY 121 N 0.18 2.29 3.76 -0.02 0.00 -1.20 -4.93 105.19 105.28 1n77 n GLY 121 Ca 0.04 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1n77 n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n77 s TYR 122 N -2.72 2.53 -0.90 1.61 5.04 -1.26 -4.19 117.35 117.46 1n77 s TYR 122 Ca 0.00 1.42 0.16 0.00 -2.44 0.00 0.00 57.07 56.21 1n77 s TYR 122 Cb 0.00 -3.66 0.56 0.00 0.35 0.00 0.00 41.96 39.21 1n77 s TYR 122 CO 0.00 -2.39 1.48 -0.40 -1.34 0.00 0.00 175.55 172.90 1n77 n ASP 123 N -0.73 4.04 -3.63 4.32 5.68 -1.26 -4.95 116.55 120.01 1n77 n ASP 123 Ca 0.09 -2.43 -0.27 0.00 -0.50 0.00 0.00 54.79 51.67 1n77 n ASP 123 Cb 0.46 -0.47 0.02 0.00 -1.14 0.00 0.00 41.12 39.99 1n77 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n77 n GLY 124 N 0.62 -0.50 0.23 6.12 0.00 -1.26 -4.85 105.19 105.54 1n77 n GLY 124 Ca 0.21 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.48 1n77 n GLY 124 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n77 h ARG 125 N -1.79 0.00 0.00 1.61 0.11 -2.01 -2.44 114.38 109.86 1n77 h ARG 125 Ca -0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.54 1n77 h ARG 125 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1n77 h ARG 125 CO 0.62 0.24 0.00 0.00 0.10 0.00 0.00 179.97 180.92 1n77 n ALA 126 N -2.35 1.39 0.29 0.08 0.00 -1.26 -2.14 120.51 116.51 1n77 n ALA 126 Ca -0.02 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1n77 n ALA 126 Cb 0.34 -1.29 0.85 0.00 0.00 0.00 0.00 19.45 19.35 1n77 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n77 h ARG 127 N 0.00 0.00 0.00 0.00 3.08 -1.74 -2.12 114.38 113.60 1n77 h ARG 127 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1n77 h ARG 127 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1n77 h ARG 127 CO 0.00 0.04 -0.64 -0.91 -1.07 0.00 0.00 179.97 177.38 1n77 h ASN 128 N 0.00 0.00 -2.09 7.04 2.35 -1.66 -3.45 115.58 117.77 1n77 h ASN 128 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1n77 h ASN 128 Cb 0.09 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.50 1n77 h ASN 128 CO 0.00 0.64 0.93 -0.38 -1.65 0.00 0.00 177.43 176.97 1n77 n ILE 129 N -3.64 0.29 -1.72 2.81 5.41 -0.80 -4.88 119.36 116.83 1n77 n ILE 129 Ca -0.01 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 1n77 n ILE 129 Cb 0.66 -1.64 -0.03 0.00 -0.71 0.00 0.00 39.64 37.93 1n77 n ILE 129 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1n77 n PRO 130 N 4.98 2.59 -0.34 0.38 -0.02 -1.26 -4.78 135.00 136.56 1n77 n PRO 130 Ca 0.20 0.93 0.01 0.00 -2.02 0.00 0.00 63.50 62.62 1n77 n PRO 130 Cb 0.28 -2.72 0.07 0.00 -0.02 0.00 0.00 33.50 31.11 1n77 n PRO 130 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n77 h PRO 131 N 5.69 -0.02 -0.46 0.52 0.11 -1.94 0.13 132.00 136.02 1n77 h PRO 131 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n77 h PRO 131 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1n77 h PRO 131 CO 0.87 -0.01 0.30 0.93 -0.21 0.00 0.00 178.00 179.88 1n77 h GLU 132 N -0.02 0.61 -0.12 1.05 4.39 -1.98 0.18 114.58 118.69 1n77 h GLU 132 Ca 0.38 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1n77 h GLU 132 Cb 0.63 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1n77 h GLU 132 CO -0.94 0.42 0.08 1.49 -1.16 0.00 0.00 179.01 178.89 1n77 h GLU 133 N 0.63 0.15 0.25 2.33 4.81 -1.22 0.30 114.58 121.83 1n77 h GLU 133 Ca 0.17 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1n77 h GLU 133 Cb -0.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1n77 h GLU 133 CO -0.04 0.10 -0.12 0.00 -0.73 0.00 0.00 179.01 178.23 1n77 h ALA 134 N 1.05 -0.33 -1.00 2.92 0.00 -0.74 0.24 119.26 121.40 1n77 h ALA 134 Ca 0.05 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1n77 h ALA 134 Cb -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 1n77 h ALA 134 CO -0.01 -0.66 0.61 0.93 0.00 0.00 0.00 179.25 180.12 1n77 h GLU 135 N -0.38 0.71 -0.07 0.00 4.39 -0.45 0.19 114.58 118.98 1n77 h GLU 135 Ca -0.03 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1n77 h GLU 135 Cb 0.29 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1n77 h GLU 135 CO 0.06 0.47 -0.47 0.93 -1.16 0.00 0.00 179.01 178.84 1n77 h GLU 136 N 0.74 0.44 -0.03 2.33 4.39 -0.52 -1.77 114.58 120.17 1n77 h GLU 136 Ca 0.56 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1n77 h GLU 136 Cb 0.91 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1n77 h GLU 136 CO -0.35 1.02 0.02 0.00 -1.16 0.00 0.00 179.01 178.55 1n77 h ARG 137 N -0.01 0.00 0.09 2.33 3.08 0.10 0.00 114.38 119.97 1n77 h ARG 137 Ca -0.04 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.79 1n77 h ARG 137 Cb 1.13 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.20 1n77 h ARG 137 CO 0.10 0.00 -0.94 0.00 -1.07 0.00 0.00 179.97 178.05 1n77 h ALA 138 N 1.98 -0.01 -0.12 0.04 0.00 -0.60 -2.03 119.26 118.52 1n77 h ALA 138 Ca 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1n77 h ALA 138 Cb 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n77 h ALA 138 CO -0.00 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.84 1n77 h ARG 139 N -0.01 0.14 0.00 0.00 3.08 -0.17 0.27 114.38 117.69 1n77 h ARG 139 Ca -0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1n77 h ARG 139 Cb 1.67 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1n77 h ARG 139 CO 0.18 0.10 0.00 0.54 -1.07 0.00 0.00 179.97 179.72 1n77 n ARG 140 N -4.52 0.86 -0.96 0.04 5.12 -0.18 -4.86 116.66 112.16 1n77 n ARG 140 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1n77 n ARG 140 Cb 0.10 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1n77 n ARG 140 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n77 n GLY 141 N 0.70 0.55 3.68 -0.13 0.00 0.95 -4.99 105.19 105.95 1n77 n GLY 141 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 1n77 n GLY 141 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n77 n GLU 142 N -2.89 2.54 -1.67 1.61 2.13 -0.77 -4.87 120.64 116.72 1n77 n GLU 142 Ca 0.00 0.93 -0.46 0.00 0.66 0.00 0.00 57.16 58.29 1n77 n GLU 142 Cb 0.00 -2.81 -0.04 0.00 0.27 0.00 0.00 31.44 28.86 1n77 n GLU 142 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1n77 n PRO 143 N 6.10 2.13 -3.83 5.31 -0.02 -1.26 -4.69 135.00 138.73 1n77 n PRO 143 Ca 0.20 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.35 1n77 n PRO 143 Cb 0.35 -2.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.31 1n77 n PRO 143 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1n77 s HIS 144 N 1.07 0.18 0.19 6.00 -3.43 -1.26 -4.72 115.29 113.32 1n77 s HIS 144 Ca 0.80 -0.83 0.02 0.00 -0.80 0.00 0.00 55.06 54.24 1n77 s HIS 144 Cb -0.69 0.78 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 1n77 s HIS 144 CO 0.39 -1.55 0.00 0.14 -2.00 0.00 0.00 174.74 171.72 1n77 s VAL 145 N -2.36 0.76 -0.19 -5.38 -7.23 -0.61 -3.69 120.40 101.70 1n77 s VAL 145 Ca 0.16 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1n77 s VAL 145 Cb -0.05 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 1n77 s VAL 145 CO 0.12 -0.44 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.75 1n77 s ILE 146 N -3.60 3.07 0.15 -0.62 1.01 -0.88 -1.30 121.20 119.02 1n77 s ILE 146 Ca 0.25 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1n77 s ILE 146 Cb 0.06 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1n77 s ILE 146 CO 0.05 0.47 0.05 -0.13 0.00 0.00 0.00 174.94 175.38 1n77 s ARG 147 N 1.20 2.64 0.22 2.79 0.52 -0.24 0.50 118.95 126.58 1n77 s ARG 147 Ca 0.02 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1n77 s ARG 147 Cb -0.14 -2.52 -0.09 0.00 0.52 0.00 0.00 34.95 32.72 1n77 s ARG 147 CO -0.03 0.49 1.18 -1.17 0.02 0.00 0.00 175.30 175.79 1n77 s LEU 148 N -2.86 4.47 -0.99 2.53 2.96 0.75 -1.68 118.68 123.87 1n77 s LEU 148 Ca 0.29 2.27 -0.11 0.00 -0.22 0.00 0.00 54.13 56.36 1n77 s LEU 148 Cb -0.10 -3.61 0.25 0.00 0.50 0.00 0.00 46.19 43.23 1n77 s LEU 148 CO 0.20 -0.33 0.95 -0.75 -1.32 0.00 0.00 176.35 175.11 1n77 s LYS 149 N -0.62 3.91 0.26 1.98 2.20 0.15 -4.36 119.74 123.25 1n77 s LYS 149 Ca 0.51 -2.92 -0.31 0.00 -0.36 0.00 0.00 55.97 52.89 1n77 s LYS 149 Cb -0.33 -4.47 -0.11 0.00 -1.51 0.00 0.00 37.83 31.41 1n77 s LYS 149 CO 0.39 -1.26 1.60 0.08 -0.36 0.00 0.00 175.35 175.79 1n77 s VAL 150 N -0.70 2.20 -0.01 4.02 1.01 -1.26 -4.75 120.40 120.91 1n77 s VAL 150 Ca 0.25 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1n77 s VAL 150 Cb -0.10 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 1n77 s VAL 150 CO -0.08 0.02 1.78 -2.84 0.00 0.00 0.00 175.10 173.98 1n77 s PRO 151 N 0.04 4.17 -0.04 2.72 0.02 -1.26 -4.99 135.00 135.65 1n77 s PRO 151 Ca 0.66 2.37 0.04 0.00 0.02 0.00 0.00 61.00 64.08 1n77 s PRO 151 Cb -0.47 -4.05 -0.00 0.00 0.02 0.00 0.00 34.50 30.00 1n77 s PRO 151 CO 0.42 -0.89 -0.14 1.03 -0.33 0.00 0.00 177.00 177.09 1n77 s ARG 152 N 4.19 1.52 0.78 5.54 0.52 -1.26 -4.06 118.95 126.18 1n77 s ARG 152 Ca 0.80 -0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 55.43 1n77 s ARG 152 Cb -0.37 -1.34 0.13 0.00 0.52 0.00 0.00 34.95 33.89 1n77 s ARG 152 CO 0.35 0.20 1.09 -2.14 0.02 0.00 0.00 175.30 174.81 1n77 s PRO 153 N 0.11 1.53 0.00 3.54 0.02 -1.26 -5.19 135.00 133.74 1n77 s PRO 153 Ca -0.04 -0.67 0.00 0.00 0.02 0.00 0.00 61.00 60.31 1n77 s PRO 153 Cb -0.11 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.27 1n77 s PRO 153 CO 0.02 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 1n77 n GLY 154 N -3.12 -2.05 3.09 0.52 0.00 -1.26 -5.03 105.19 97.34 1n77 n GLY 154 Ca 0.13 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1n77 n GLY 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n77 s THR 155 N -2.46 0.27 -0.06 2.61 -4.23 -1.26 -0.63 115.64 109.87 1n77 s THR 155 Ca 0.00 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1n77 s THR 155 Cb 0.00 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.40 1n77 s THR 155 CO 0.00 -0.96 -0.00 -0.89 -0.54 0.00 0.00 174.62 172.23 1n77 s THR 156 N -3.74 0.36 -0.23 3.99 2.01 -0.61 -4.84 115.64 112.57 1n77 s THR 156 Ca 0.06 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 1n77 s THR 156 Cb 0.07 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1n77 s THR 156 CO -0.09 0.24 0.73 -0.70 -0.69 0.00 0.00 174.62 174.12 1n77 s GLU 157 N 1.74 4.17 -0.04 4.92 2.12 -1.26 -1.09 118.70 129.26 1n77 s GLU 157 Ca 0.01 0.77 0.03 0.00 0.36 0.00 0.00 54.97 56.14 1n77 s GLU 157 Cb -0.13 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1n77 s GLU 157 CO -0.04 -0.43 -0.11 0.08 -0.54 0.00 0.00 175.26 174.22 1n77 s VAL 158 N 2.55 3.35 -0.19 3.70 1.01 -0.87 -4.98 120.40 124.97 1n77 s VAL 158 Ca 0.31 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1n77 s VAL 158 Cb -0.16 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1n77 s VAL 158 CO 0.08 0.53 -0.09 -0.75 0.00 0.00 0.00 175.10 174.87 1n77 s LYS 159 N -0.97 1.91 -0.17 2.72 2.20 -1.26 -0.51 119.74 123.67 1n77 s LYS 159 Ca 0.13 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.85 1n77 s LYS 159 Cb -0.11 -2.32 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 1n77 s LYS 159 CO 0.03 -0.42 0.23 0.34 -0.36 0.00 0.00 175.35 175.16 1n77 s ASP 160 N 1.45 6.35 0.16 1.43 -1.08 -1.08 -4.20 116.67 119.71 1n77 s ASP 160 Ca -0.01 0.41 0.16 0.00 -0.52 0.00 0.00 52.55 52.59 1n77 s ASP 160 Cb -0.16 -2.14 0.73 0.00 -1.46 0.00 0.00 42.92 39.89 1n77 s ASP 160 CO -0.08 0.14 1.48 -0.62 0.52 0.00 0.00 175.17 176.62 1n77 n GLU 161 N 3.47 0.09 -0.04 4.34 -0.58 0.15 -1.52 120.64 126.55 1n77 n GLU 161 Ca -0.14 0.46 -0.01 0.00 -0.42 0.00 0.00 57.16 57.05 1n77 n GLU 161 Cb 0.52 -1.73 -0.11 0.00 -0.57 0.00 0.00 31.44 29.55 1n77 n GLU 161 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1n77 n LEU 162 N -1.92 0.00 -0.04 -4.62 4.77 -1.26 -4.71 117.00 109.23 1n77 n LEU 162 Ca 0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1n77 n LEU 162 Cb 0.11 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 1n77 n LEU 162 CO 0.11 0.21 -0.82 0.54 -1.33 0.00 0.00 177.39 176.10 1n77 n ARG 163 N -2.31 1.19 0.00 3.23 1.74 -1.17 -5.11 116.66 114.23 1n77 n ARG 163 Ca -0.15 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1n77 n ARG 163 Cb 0.73 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1n77 n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n77 n GLY 164 N 1.95 -1.54 3.77 -0.13 0.00 -0.58 -4.99 105.19 103.67 1n77 n GLY 164 Ca -0.13 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 1n77 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n77 s VAL 165 N -0.45 3.13 -0.26 1.61 1.01 -1.26 -2.63 120.40 121.55 1n77 s VAL 165 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1n77 s VAL 165 Cb 0.00 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.39 1n77 s VAL 165 CO 0.00 -0.29 0.25 -0.69 0.00 0.00 0.00 175.10 174.37 1n77 s VAL 166 N -2.19 -0.33 -0.08 2.92 1.01 0.34 -4.95 120.40 117.12 1n77 s VAL 166 Ca 0.69 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1n77 s VAL 166 Cb -0.22 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1n77 s VAL 166 CO 0.39 -0.40 0.80 -0.69 0.00 0.00 0.00 175.10 175.20 1n77 s VAL 167 N 2.32 4.96 0.19 2.92 1.01 -1.26 -2.05 120.40 128.49 1n77 s VAL 167 Ca 0.08 1.64 0.06 0.00 0.00 0.00 0.00 61.98 63.76 1n77 s VAL 167 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1n77 s VAL 167 CO -0.25 0.17 0.17 -0.31 0.00 0.00 0.00 175.10 174.87 1n77 s TYR 168 N 1.19 3.16 -0.27 5.22 2.02 -0.25 -4.96 117.35 123.46 1n77 s TYR 168 Ca 0.41 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.96 1n77 s TYR 168 Cb -0.18 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1n77 s TYR 168 CO 0.19 0.52 0.20 0.34 -1.57 0.00 0.00 175.55 175.22 1n77 s ASP 169 N -3.35 6.06 0.59 2.29 3.68 -1.26 -1.58 116.67 123.09 1n77 s ASP 169 Ca 0.32 0.04 0.19 0.00 2.13 0.00 0.00 52.55 55.23 1n77 s ASP 169 Cb -0.09 -2.12 1.04 0.00 -1.45 0.00 0.00 42.92 40.29 1n77 s ASP 169 CO 0.24 -0.04 1.55 0.78 0.13 0.00 0.00 175.17 177.84 1n77 h ASN 170 N 8.17 0.00 0.82 -0.34 4.21 -1.20 1.04 115.58 128.28 1n77 h ASN 170 Ca -0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1n77 h ASN 170 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1n77 h ASN 170 CO 0.58 0.00 0.00 -0.61 -1.29 0.00 0.00 177.43 176.11 1n77 h GLN 171 N 0.00 0.00 0.00 0.81 5.75 -1.92 -2.29 115.11 117.46 1n77 h GLN 171 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n77 h GLN 171 Cb 0.98 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.53 1n77 h GLN 171 CO 0.00 0.00 -1.17 0.39 -2.65 0.00 0.00 178.83 175.40 1n77 n GLU 172 N -2.39 0.21 -3.26 1.69 -0.58 0.36 -4.80 120.64 111.88 1n77 n GLU 172 Ca 0.02 -0.04 -0.44 0.00 -0.42 0.00 0.00 57.16 56.28 1n77 n GLU 172 Cb 0.25 -1.53 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1n77 n GLU 172 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1n77 s ILE 173 N -3.16 5.02 0.59 -3.67 1.01 -0.86 -5.05 121.20 115.08 1n77 s ILE 173 Ca 0.04 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1n77 s ILE 173 Cb 0.15 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1n77 s ILE 173 CO 0.85 -0.66 1.10 -2.16 0.00 0.00 0.00 174.94 174.07 1n77 s PRO 174 N 2.24 3.15 -1.17 2.79 0.04 -1.26 -4.90 135.00 135.90 1n77 s PRO 174 Ca 0.11 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1n77 s PRO 174 Cb -0.20 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1n77 s PRO 174 CO 0.11 -0.98 2.09 -0.25 0.04 0.00 0.00 177.00 178.01 1n77 n ASP 175 N -1.84 3.32 -4.67 6.66 9.92 -1.26 -4.87 116.55 123.81 1n77 n ASP 175 Ca 0.10 -2.77 -0.36 0.00 -0.53 0.00 0.00 54.79 51.23 1n77 n ASP 175 Cb 0.52 -1.44 0.08 0.00 -0.64 0.00 0.00 41.12 39.65 1n77 n ASP 175 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1n77 n VAL 176 N 5.53 3.56 -2.43 2.53 0.24 -1.26 -4.19 118.33 122.31 1n77 n VAL 176 Ca 0.51 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.99 1n77 n VAL 176 Cb 0.40 -1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 31.47 1n77 n VAL 176 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1n77 s VAL 177 N -1.68 4.09 -0.20 3.34 0.11 -1.26 -0.18 120.40 124.62 1n77 s VAL 177 Ca 0.77 1.49 -0.07 0.00 -2.93 0.00 0.00 61.98 61.24 1n77 s VAL 177 Cb -0.36 -3.95 -0.20 0.00 -1.53 0.00 0.00 36.38 30.34 1n77 s VAL 177 CO 0.46 0.08 0.05 0.18 -3.33 0.00 0.00 175.10 172.54 1n77 n LEU 178 N 4.29 2.56 -4.02 2.54 4.77 0.18 -4.65 117.00 122.67 1n77 n LEU 178 Ca 0.09 0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1n77 n LEU 178 Cb 0.46 -0.99 -0.16 0.00 -2.33 0.00 0.00 43.42 40.41 1n77 n LEU 178 CO 0.55 0.77 -0.47 -0.22 -1.33 0.00 0.00 177.39 176.70 1n77 s LEU 179 N -7.04 2.44 0.95 2.23 0.20 -0.92 -1.90 118.68 114.65 1n77 s LEU 179 Ca -0.30 -0.94 -0.11 0.00 0.69 0.00 0.00 54.13 53.48 1n77 s LEU 179 Cb 0.08 -1.31 0.16 0.00 -0.43 0.00 0.00 46.19 44.70 1n77 s LEU 179 CO 0.65 -0.13 1.11 -0.54 -0.29 0.00 0.00 176.35 177.15 1n77 s LYS 180 N 1.34 0.76 0.24 1.98 1.02 0.17 -2.08 119.74 123.17 1n77 s LYS 180 Ca -0.02 1.31 0.22 0.00 0.02 0.00 0.00 55.97 57.50 1n77 s LYS 180 Cb -0.16 -1.72 0.96 0.00 -0.52 0.00 0.00 37.83 36.39 1n77 s LYS 180 CO -0.08 -2.73 1.66 -1.13 -0.92 0.00 0.00 175.35 172.15 1n77 n SER 181 N -4.28 0.57 -1.45 2.83 3.41 -1.24 -1.88 113.62 111.58 1n77 n SER 181 Ca 0.09 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.43 1n77 n SER 181 Cb 0.53 -0.78 0.30 0.00 -0.26 0.00 0.00 64.21 64.00 1n77 n SER 181 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1n77 n ASP 182 N -2.16 4.27 0.00 4.04 3.85 -1.26 -4.70 116.55 120.59 1n77 n ASP 182 Ca 0.02 -2.51 0.00 0.00 -0.71 0.00 0.00 54.79 51.59 1n77 n ASP 182 Cb 0.18 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 1n77 n ASP 182 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n77 n GLY 183 N 0.79 2.39 3.82 6.12 0.00 -0.79 -5.03 105.19 112.50 1n77 n GLY 183 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1n77 n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n77 s TYR 184 N -2.66 3.63 0.72 1.61 2.02 -1.26 -4.80 117.35 116.61 1n77 s TYR 184 Ca 0.00 1.33 -0.07 0.00 -0.37 0.00 0.00 57.07 57.96 1n77 s TYR 184 Cb 0.00 -2.58 0.07 0.00 -0.40 0.00 0.00 41.96 39.05 1n77 s TYR 184 CO 0.00 0.34 1.04 -1.25 -1.57 0.00 0.00 175.55 174.10 1n77 s PRO 185 N -2.03 2.13 0.31 -1.71 0.04 -1.26 0.42 135.00 132.90 1n77 s PRO 185 Ca 0.43 -0.24 0.07 0.00 0.04 0.00 0.00 61.00 61.30 1n77 s PRO 185 Cb -0.16 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1n77 s PRO 185 CO 0.20 -1.30 0.29 0.95 0.04 0.00 0.00 177.00 177.18 1n77 s THR 186 N -3.29 3.84 0.30 1.26 -4.23 -0.80 -4.77 115.64 107.96 1n77 s THR 186 Ca 0.61 -1.33 0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1n77 s THR 186 Cb -0.10 -3.28 0.30 0.00 1.34 0.00 0.00 72.50 70.76 1n77 s THR 186 CO 0.45 -0.22 1.74 0.22 -0.54 0.00 0.00 174.62 176.28 1n77 h TYR 187 N 1.27 0.96 -0.29 3.99 3.20 -1.92 -1.27 116.97 122.91 1n77 h TYR 187 Ca -0.46 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.49 1n77 h TYR 187 Cb 1.25 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1n77 h TYR 187 CO 0.52 0.12 0.02 0.45 -1.64 0.00 0.00 178.16 177.63 1n77 h HIS 188 N 0.62 0.02 0.01 -3.82 3.86 -1.92 0.24 115.15 114.16 1n77 h HIS 188 Ca 0.60 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.83 1n77 h HIS 188 Cb 1.05 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1n77 h HIS 188 CO -0.03 -0.03 -0.01 1.25 0.86 0.00 0.00 177.93 179.97 1n77 h LEU 189 N 0.11 -0.01 -0.30 2.43 7.12 -1.59 -3.27 115.31 119.80 1n77 h LEU 189 Ca 0.14 -0.71 0.04 0.00 0.13 0.00 0.00 57.88 57.48 1n77 h LEU 189 Cb 0.17 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 1n77 h LEU 189 CO -0.22 0.72 0.07 0.00 -0.13 0.00 0.00 178.44 178.88 1n77 h ALA 190 N 0.19 0.32 -0.77 1.25 0.00 -1.20 -1.96 119.26 117.10 1n77 h ALA 190 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n77 h ALA 190 Cb 0.72 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1n77 h ALA 190 CO 0.00 -0.34 0.38 -2.95 0.00 0.00 0.00 179.25 176.34 1n77 h ASN 191 N 0.18 1.01 0.14 0.00 7.08 -0.66 0.90 115.58 124.23 1n77 h ASN 191 Ca 0.14 -0.13 -0.01 0.00 -3.08 0.00 0.00 56.30 53.22 1n77 h ASN 191 Cb 0.14 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 36.12 1n77 h ASN 191 CO -0.18 0.86 -0.07 0.58 -2.08 0.00 0.00 177.43 176.54 1n77 h VAL 192 N 1.09 1.01 0.09 6.14 2.07 -1.56 -0.37 116.25 124.73 1n77 h VAL 192 Ca 0.27 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1n77 h VAL 192 Cb 0.11 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1n77 h VAL 192 CO -0.03 0.17 -0.28 0.58 0.02 0.00 0.00 177.57 178.02 1n77 h VAL 193 N -0.53 0.39 -0.31 2.57 2.07 -1.24 -1.07 116.25 118.13 1n77 h VAL 193 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1n77 h VAL 193 Cb 0.42 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1n77 h VAL 193 CO 0.03 0.00 0.15 0.44 0.02 0.00 0.00 177.57 178.21 1n77 h ASP 194 N -0.48 0.41 -0.44 0.57 3.45 -0.88 -1.83 116.42 117.22 1n77 h ASP 194 Ca 0.04 -0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.43 1n77 h ASP 194 Cb 0.52 -0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 39.13 1n77 h ASP 194 CO -0.18 0.42 0.14 0.44 -1.57 0.00 0.00 179.24 178.50 1n77 h ASP 195 N 0.36 0.13 0.85 6.45 3.45 -0.92 -0.64 116.42 126.10 1n77 h ASP 195 Ca 0.11 0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 1n77 h ASP 195 Cb 0.13 0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1n77 h ASP 195 CO -0.01 0.11 -0.41 -0.74 -1.57 0.00 0.00 179.24 176.62 1n77 h HIS 196 N 0.30 -1.06 -0.79 4.55 2.76 -1.03 -0.28 115.15 119.61 1n77 h HIS 196 Ca 0.21 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.52 1n77 h HIS 196 Cb 0.22 0.35 -0.05 0.00 1.55 0.00 0.00 27.41 29.47 1n77 h HIS 196 CO -0.17 -0.65 0.53 -0.07 -1.30 0.00 0.00 177.93 176.28 1n77 h LEU 197 N -1.20 0.37 -1.13 0.26 3.38 -1.22 0.12 115.31 115.89 1n77 h LEU 197 Ca -0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n77 h LEU 197 Cb 0.88 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1n77 h LEU 197 CO 0.19 0.18 0.00 0.23 0.09 0.00 0.00 178.44 179.13 1n77 n MET 198 N -4.47 1.74 -2.74 1.13 2.81 -0.26 -4.94 117.12 110.38 1n77 n MET 198 Ca 0.16 -1.12 -0.21 0.00 -1.81 0.00 0.00 57.70 54.72 1n77 n MET 198 Cb 0.60 -1.36 0.02 0.00 -0.71 0.00 0.00 33.22 31.76 1n77 n MET 198 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n77 n GLY 199 N 1.10 -0.45 3.73 3.03 0.00 0.43 -4.97 105.19 108.06 1n77 n GLY 199 Ca 0.15 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1n77 n GLY 199 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n77 s VAL 200 N -3.09 3.60 -0.05 1.61 -7.23 -0.17 -4.55 120.40 110.52 1n77 s VAL 200 Ca 0.17 1.25 0.10 0.00 -1.81 0.00 0.00 61.98 61.70 1n77 s VAL 200 Cb -0.08 -3.80 -0.15 0.00 0.56 0.00 0.00 36.38 32.91 1n77 s VAL 200 CO 0.21 0.16 0.16 0.35 -0.31 0.00 0.00 175.10 175.67 1n77 n THR 201 N 3.10 0.25 -3.91 5.32 -2.24 -0.57 -4.76 114.28 111.47 1n77 n THR 201 Ca 0.07 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 1n77 n THR 201 Cb 0.44 -0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.41 1n77 n THR 201 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n77 s ASP 202 N -3.61 4.05 -0.51 3.42 1.01 -1.03 -0.52 116.67 119.48 1n77 s ASP 202 Ca -0.04 -1.45 -0.21 0.00 0.71 0.00 0.00 52.55 51.56 1n77 s ASP 202 Cb 0.05 -1.20 0.05 0.00 1.01 0.00 0.00 42.92 42.84 1n77 s ASP 202 CO 0.43 -0.30 0.73 -0.69 0.21 0.00 0.00 175.17 175.55 1n77 s VAL 203 N 1.35 4.72 -0.33 -1.27 1.01 0.01 -4.44 120.40 121.44 1n77 s VAL 203 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1n77 s VAL 203 Cb -0.19 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 31.87 1n77 s VAL 203 CO -0.10 -0.87 0.09 -0.63 0.00 0.00 0.00 175.10 173.59 1n77 s ILE 204 N 3.07 3.68 0.19 2.22 1.01 -1.26 -0.73 121.20 129.37 1n77 s ILE 204 Ca 0.21 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1n77 s ILE 204 Cb -0.16 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1n77 s ILE 204 CO 0.15 -0.15 0.13 0.00 0.00 0.00 0.00 174.94 175.08 1n77 s ARG 205 N 1.39 1.17 0.49 2.79 1.70 -0.39 -4.90 118.95 121.19 1n77 s ARG 205 Ca -0.02 -1.58 -0.23 0.00 -0.47 0.00 0.00 55.73 53.43 1n77 s ARG 205 Cb -0.19 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.40 1n77 s ARG 205 CO 0.02 -0.38 1.32 0.00 -1.08 0.00 0.00 175.30 175.19 1n77 s ALA 206 N -4.13 3.00 0.66 7.88 0.00 -1.26 -0.01 121.76 127.90 1n77 s ALA 206 Ca 0.36 1.26 0.33 0.00 0.00 0.00 0.00 51.96 53.91 1n77 s ALA 206 Cb 0.07 -3.52 1.81 0.00 0.00 0.00 0.00 23.12 21.48 1n77 s ALA 206 CO 0.10 -1.11 2.03 1.49 0.00 0.00 0.00 175.76 178.26 1n77 h GLU 207 N 1.93 0.00 0.00 0.00 4.81 0.41 -1.63 114.58 120.10 1n77 h GLU 207 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1n77 h GLU 207 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1n77 h GLU 207 CO 0.59 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 178.02 1n77 n GLU 208 N -2.97 0.03 0.00 1.92 0.28 -1.26 -1.49 120.64 117.15 1n77 n GLU 208 Ca -0.02 0.45 0.11 0.00 -0.16 0.00 0.00 57.16 57.54 1n77 n GLU 208 Cb 0.32 -1.59 0.08 0.00 1.43 0.00 0.00 31.44 31.67 1n77 n GLU 208 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1n77 n TRP 209 N -1.67 0.00 -0.27 -1.84 7.02 -0.61 -4.53 117.44 115.54 1n77 n TRP 209 Ca 0.01 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.51 1n77 n TRP 209 Cb 0.07 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.11 1n77 n TRP 209 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1n77 h LEU 210 N 4.04 0.55 -1.67 -0.99 5.85 -1.45 -1.01 115.31 120.64 1n77 h LEU 210 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1n77 h LEU 210 Cb 0.88 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1n77 h LEU 210 CO 0.00 0.31 -0.19 0.58 -0.34 0.00 0.00 178.44 178.80 1n77 h VAL 211 N 0.68 0.98 0.00 1.05 2.07 -1.80 -2.43 116.25 116.80 1n77 h VAL 211 Ca 0.38 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1n77 h VAL 211 Cb 0.39 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1n77 h VAL 211 CO -0.27 0.19 -0.15 0.28 0.02 0.00 0.00 177.57 177.64 1n77 h SER 212 N 0.00 0.00 -0.94 0.57 0.02 -1.50 -3.36 113.55 108.35 1n77 h SER 212 Ca -0.00 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 61.19 1n77 h SER 212 Cb 0.38 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.79 1n77 h SER 212 CO 0.02 0.08 0.46 0.74 -1.14 0.00 0.00 176.83 176.99 1n77 h THR 213 N 0.00 0.45 -0.30 -2.27 2.02 -0.90 0.77 112.91 112.68 1n77 h THR 213 Ca -0.00 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1n77 h THR 213 Cb 1.07 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1n77 h THR 213 CO 0.01 0.08 0.22 -0.65 0.37 0.00 0.00 175.52 175.54 1n77 h PRO 214 N 0.42 0.04 -0.25 6.66 0.11 -1.77 0.86 132.00 138.07 1n77 h PRO 214 Ca 0.60 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.54 1n77 h PRO 214 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1n77 h PRO 214 CO -0.54 0.02 -0.53 0.82 -0.21 0.00 0.00 178.00 177.57 1n77 h ILE 215 N 0.04 1.30 -0.12 4.15 2.04 -1.11 -2.13 117.51 121.68 1n77 h ILE 215 Ca 0.14 -1.74 -0.21 0.00 1.00 0.00 0.00 64.86 64.05 1n77 h ILE 215 Cb 0.52 1.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1n77 h ILE 215 CO -0.01 0.55 -0.79 0.45 0.00 0.00 0.00 178.15 178.36 1n77 h HIS 216 N 0.56 0.90 -0.78 1.37 3.86 -0.99 -2.04 115.15 118.03 1n77 h HIS 216 Ca 0.02 -0.41 0.03 0.00 -1.16 0.00 0.00 60.37 58.85 1n77 h HIS 216 Cb 1.10 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.39 1n77 h HIS 216 CO 0.06 1.22 0.50 0.28 0.86 0.00 0.00 177.93 180.85 1n77 h VAL 217 N 0.44 1.14 -0.34 2.45 2.07 -0.86 0.06 116.25 121.21 1n77 h VAL 217 Ca -0.05 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1n77 h VAL 217 Cb 1.40 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1n77 h VAL 217 CO 0.15 0.18 0.13 -0.07 0.02 0.00 0.00 177.57 177.98 1n77 h LEU 218 N 0.99 0.48 -0.75 2.57 4.07 -1.31 -1.79 115.31 119.58 1n77 h LEU 218 Ca 0.31 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1n77 h LEU 218 Cb -0.02 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.56 1n77 h LEU 218 CO -0.10 0.53 0.39 -0.07 -1.08 0.00 0.00 178.44 178.11 1n77 h LEU 219 N 0.40 0.95 -1.27 1.67 3.38 -0.82 0.20 115.31 119.81 1n77 h LEU 219 Ca 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1n77 h LEU 219 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1n77 h LEU 219 CO -0.01 0.79 0.08 1.88 0.09 0.00 0.00 178.44 181.27 1n77 h TYR 220 N 1.04 0.58 -0.15 1.13 0.99 -0.83 -1.18 116.97 118.55 1n77 h TYR 220 Ca 0.26 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.91 1n77 h TYR 220 Cb 0.06 -0.18 -0.00 0.00 1.00 0.00 0.00 36.73 37.61 1n77 h TYR 220 CO 0.00 0.52 -0.08 -0.09 -0.00 0.00 0.00 178.16 178.52 1n77 h ARG 221 N 0.56 0.31 -0.97 4.88 2.43 -0.33 0.79 114.38 122.04 1n77 h ARG 221 Ca 0.13 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1n77 h ARG 221 Cb 0.24 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1n77 h ARG 221 CO -0.00 0.64 0.63 0.00 -1.51 0.00 0.00 179.97 179.73 1n77 h ALA 222 N 0.66 1.46 0.00 2.80 0.00 -0.13 -0.60 119.26 123.45 1n77 h ALA 222 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n77 h ALA 222 Cb 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n77 h ALA 222 CO 0.02 0.39 -0.13 1.19 0.00 0.00 0.00 179.25 180.72 1n77 n PHE 223 N -4.51 0.64 -1.23 0.00 3.72 -0.49 -4.92 117.46 110.67 1n77 n PHE 223 Ca 0.15 0.19 -0.01 0.00 -0.05 0.00 0.00 57.45 57.73 1n77 n PHE 223 Cb 0.21 -0.77 -0.00 0.00 -0.94 0.00 0.00 39.48 37.97 1n77 n PHE 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n77 n GLY 224 N 1.36 0.42 3.95 1.37 0.00 -0.23 -5.04 105.19 107.02 1n77 n GLY 224 Ca 0.05 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1n77 n GLY 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n77 s TRP 225 N -2.03 3.48 -0.02 1.61 0.51 0.17 -5.01 118.94 117.65 1n77 s TRP 225 Ca 0.00 0.12 -0.30 0.00 -2.12 0.00 0.00 56.10 53.80 1n77 s TRP 225 Cb 0.00 -1.67 -0.03 0.00 -0.81 0.00 0.00 33.47 30.96 1n77 s TRP 225 CO 0.00 0.47 1.07 -2.00 -0.51 0.00 0.00 176.95 175.98 1n77 s GLU 226 N -3.46 4.47 0.32 4.98 2.12 -1.26 -4.42 118.70 121.45 1n77 s GLU 226 Ca 0.35 1.53 -0.27 0.00 0.36 0.00 0.00 54.97 56.94 1n77 s GLU 226 Cb -0.10 -3.47 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 1n77 s GLU 226 CO 0.29 -0.22 1.02 0.00 -0.54 0.00 0.00 175.26 175.81 1n77 s ALA 227 N 1.42 3.25 0.90 6.30 0.00 -1.26 -5.05 121.76 127.32 1n77 s ALA 227 Ca 0.53 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 1n77 s ALA 227 Cb -0.23 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1n77 s ALA 227 CO 0.25 -0.03 1.26 -1.25 0.00 0.00 0.00 175.76 175.99 1n77 s PRO 228 N -1.89 1.05 0.38 0.00 0.04 -1.26 -5.04 135.00 128.28 1n77 s PRO 228 Ca 0.49 -0.34 -0.24 0.00 0.04 0.00 0.00 61.00 60.96 1n77 s PRO 228 Cb -0.24 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1n77 s PRO 228 CO 0.31 -2.13 0.97 1.03 0.04 0.00 0.00 177.00 177.21 1n77 s ARG 229 N -5.75 4.36 -0.13 4.56 0.52 0.32 -4.90 118.95 117.92 1n77 s ARG 229 Ca 0.70 1.28 0.01 0.00 -0.52 0.00 0.00 55.73 57.20 1n77 s ARG 229 Cb -0.06 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 1n77 s ARG 229 CO 0.51 0.07 -0.16 -0.06 0.02 0.00 0.00 175.30 175.69 1n77 s PHE 230 N -1.85 2.75 -0.16 -0.53 0.08 -1.26 -0.81 117.98 116.20 1n77 s PHE 230 Ca 0.56 -0.80 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 1n77 s PHE 230 Cb -0.15 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1n77 s PHE 230 CO 0.20 -0.30 -0.04 0.71 -0.10 0.00 0.00 175.22 175.69 1n77 s TYR 231 N 0.43 1.61 -0.24 0.36 1.51 0.09 0.33 117.35 121.43 1n77 s TYR 231 Ca -0.12 -1.03 -0.08 0.00 -1.01 0.00 0.00 57.07 54.83 1n77 s TYR 231 Cb -0.16 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1n77 s TYR 231 CO 0.05 -0.60 0.09 -1.01 -1.11 0.00 0.00 175.55 172.97 1n77 s HIS 232 N 1.66 3.13 0.21 2.71 3.76 -1.26 -1.26 115.29 124.24 1n77 s HIS 232 Ca 0.01 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 1n77 s HIS 232 Cb -0.15 -2.24 -0.08 0.00 1.11 0.00 0.00 32.58 31.22 1n77 s HIS 232 CO -0.08 -0.25 0.66 -1.64 -0.85 0.00 0.00 174.74 172.58 1n77 s MET 233 N 1.46 4.09 0.58 1.40 -1.94 0.99 -4.71 119.30 121.17 1n77 s MET 233 Ca 0.06 0.67 -0.19 0.00 -1.71 0.00 0.00 55.69 54.52 1n77 s MET 233 Cb -0.15 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 1n77 s MET 233 CO 0.05 0.38 1.22 -2.14 -0.01 0.00 0.00 175.02 174.52 1n77 s PRO 234 N -2.17 3.01 0.19 2.03 0.02 -1.26 0.10 135.00 136.91 1n77 s PRO 234 Ca 0.43 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1n77 s PRO 234 Cb -0.15 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 1n77 s PRO 234 CO 0.20 -1.19 0.93 -0.51 -0.33 0.00 0.00 177.00 176.10 1n77 s LEU 235 N -3.98 4.59 0.42 -5.54 1.43 -1.26 -4.74 118.68 109.60 1n77 s LEU 235 Ca 0.77 1.86 -0.25 0.00 -1.03 0.00 0.00 54.13 55.49 1n77 s LEU 235 Cb -0.31 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 1n77 s LEU 235 CO 0.35 0.09 1.17 -0.76 0.23 0.00 0.00 176.35 177.43 1n77 s LEU 236 N -0.77 4.14 0.10 1.79 1.02 -1.26 -3.83 118.68 119.87 1n77 s LEU 236 Ca 0.42 2.35 0.10 0.00 0.02 0.00 0.00 54.13 57.02 1n77 s LEU 236 Cb -0.25 -4.09 -0.04 0.00 0.02 0.00 0.00 46.19 41.84 1n77 s LEU 236 CO 0.31 -0.76 -0.24 -0.13 0.02 0.00 0.00 176.35 175.55 1n77 s ARG 237 N -2.42 1.36 1.27 1.70 1.81 0.72 -0.97 118.95 122.42 1n77 s ARG 237 Ca 0.59 -1.22 -0.21 0.00 -1.72 0.00 0.00 55.73 53.18 1n77 s ARG 237 Cb -0.30 -1.71 0.31 0.00 -0.45 0.00 0.00 34.95 32.80 1n77 s ARG 237 CO 0.38 0.41 1.07 -0.80 -0.68 0.00 0.00 175.30 175.67 1n77 s ASN 238 N -1.81 0.31 0.41 0.23 0.01 0.16 -1.88 114.94 112.37 1n77 s ASN 238 Ca 0.11 0.66 0.18 0.00 -0.71 0.00 0.00 52.86 53.09 1n77 s ASN 238 Cb -0.10 -0.90 0.91 0.00 0.41 0.00 0.00 41.25 41.57 1n77 s ASN 238 CO 0.04 -4.50 1.88 1.55 -1.51 0.00 0.00 177.10 174.56 1n77 h PRO 239 N -2.84 0.00 -0.82 -0.60 0.13 -1.85 -2.24 132.00 123.78 1n77 h PRO 239 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1n77 h PRO 239 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1n77 h PRO 239 CO 0.31 0.30 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1n77 n ASP 240 N -3.88 1.32 0.00 1.44 5.68 -1.26 -4.87 116.55 114.97 1n77 n ASP 240 Ca -0.02 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1n77 n ASP 240 Cb 0.38 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1n77 n ASP 240 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1n77 n LYS 241 N 0.01 -0.15 -2.10 0.11 4.76 -0.84 -5.01 118.16 114.94 1n77 n LYS 241 Ca 0.03 0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 1n77 n LYS 241 Cb 0.30 -3.75 -0.01 0.00 -1.84 0.00 0.00 35.03 29.74 1n77 n LYS 241 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1n77 s THR 242 N -2.12 4.65 0.01 -0.18 -4.23 -1.26 -4.68 115.64 107.83 1n77 s THR 242 Ca 0.00 0.99 -0.35 0.00 -1.18 0.00 0.00 61.69 61.15 1n77 s THR 242 Cb 0.00 -3.81 -0.13 0.00 1.34 0.00 0.00 72.50 69.90 1n77 s THR 242 CO 0.00 -0.96 1.70 2.29 -0.54 0.00 0.00 174.62 177.11 1n77 n LYS 243 N -2.27 1.98 -1.30 3.99 2.85 -1.26 0.40 118.16 122.56 1n77 n LYS 243 Ca 0.06 0.72 -0.50 0.00 -1.05 0.00 0.00 58.31 57.54 1n77 n LYS 243 Cb 0.54 -2.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.35 1n77 n LYS 243 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1n77 n ILE 244 N 4.17 0.32 -4.13 0.58 3.06 -0.14 -4.50 119.36 118.71 1n77 n ILE 244 Ca 0.20 -0.08 -0.09 0.00 -2.50 0.00 0.00 62.75 60.28 1n77 n ILE 244 Cb 0.27 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.35 1n77 n ILE 244 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1n77 s SER 245 N -0.16 0.83 0.00 9.51 1.04 -1.26 -4.88 113.70 118.78 1n77 s SER 245 Ca 0.75 -0.99 0.09 0.00 0.48 0.00 0.00 55.95 56.29 1n77 s SER 245 Cb -1.06 0.14 0.45 0.00 0.10 0.00 0.00 66.02 65.66 1n77 s SER 245 CO 0.50 -0.52 1.21 2.29 0.98 0.00 0.00 173.24 177.70 1n77 n LYS 246 N 0.07 0.10 -0.13 4.02 2.85 -1.26 -1.89 118.16 121.92 1n77 n LYS 246 Ca -0.13 0.24 -0.18 0.00 -1.05 0.00 0.00 58.31 57.18 1n77 n LYS 246 Cb 0.61 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.37 1n77 n LYS 246 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1n77 n ARG 247 N -1.34 0.63 0.00 -1.58 1.74 -1.26 -4.49 116.66 110.36 1n77 n ARG 247 Ca 0.04 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.39 1n77 n ARG 247 Cb 0.08 -1.51 0.16 0.00 -1.02 0.00 0.00 32.46 30.17 1n77 n ARG 247 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n77 n LYS 248 N -3.27 0.81 -4.01 5.56 5.02 -1.20 -4.98 118.16 116.09 1n77 n LYS 248 Ca -0.45 -0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 55.13 1n77 n LYS 248 Cb 0.98 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.47 1n77 n LYS 248 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n77 s SER 249 N -2.60 0.52 -0.38 4.39 0.01 -0.79 -4.69 113.70 110.16 1n77 s SER 249 Ca 0.19 -1.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.02 1n77 s SER 249 Cb 0.18 0.69 0.02 0.00 0.21 0.00 0.00 66.02 67.12 1n77 s SER 249 CO 0.60 -1.35 0.25 -1.00 0.41 0.00 0.00 173.24 172.14 1n77 s HIS 250 N -3.09 3.24 -0.43 2.43 3.76 -1.26 -4.29 115.29 115.65 1n77 s HIS 250 Ca 0.26 -0.74 0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1n77 s HIS 250 Cb -0.01 -2.50 -0.19 0.00 1.11 0.00 0.00 32.58 30.99 1n77 s HIS 250 CO 0.16 -0.60 0.51 0.25 -0.85 0.00 0.00 174.74 174.21 1n77 n THR 251 N 5.07 0.00 -2.72 1.30 -2.24 -1.26 -4.95 114.28 109.49 1n77 n THR 251 Ca -0.12 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 1n77 n THR 251 Cb 0.47 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1n77 n THR 251 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n77 s SER 252 N -2.88 7.03 0.56 3.42 0.15 -1.26 -0.29 113.70 120.42 1n77 s SER 252 Ca 0.01 1.28 0.24 0.00 0.70 0.00 0.00 55.95 58.19 1n77 s SER 252 Cb 0.10 -2.51 1.56 0.00 -1.71 0.00 0.00 66.02 63.46 1n77 s SER 252 CO 0.60 -0.64 2.16 -0.07 1.20 0.00 0.00 173.24 176.50 1n77 h LEU 253 N 9.41 0.00 -1.24 3.45 3.38 -1.41 -0.26 115.31 128.64 1n77 h LEU 253 Ca -0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1n77 h LEU 253 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1n77 h LEU 253 CO 0.96 0.00 -0.25 0.44 0.09 0.00 0.00 178.44 179.67 1n77 h ASP 254 N 0.00 0.20 -0.48 -0.43 3.45 -1.91 -1.86 116.42 115.38 1n77 h ASP 254 Ca 0.04 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.31 1n77 h ASP 254 Cb 0.20 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1n77 h ASP 254 CO -0.00 0.46 -0.22 -0.25 -1.57 0.00 0.00 179.24 177.66 1n77 h TRP 255 N 0.18 1.15 -0.31 4.55 7.01 -1.43 -0.60 115.95 126.50 1n77 h TRP 255 Ca 0.03 -0.28 -0.04 0.00 2.11 0.00 0.00 58.89 60.71 1n77 h TRP 255 Cb 0.55 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1n77 h TRP 255 CO 0.01 1.11 0.05 1.88 -2.79 0.00 0.00 178.44 178.70 1n77 h TYR 256 N 0.86 0.54 -0.28 2.65 -1.99 -1.40 -0.35 116.97 117.00 1n77 h TYR 256 Ca 0.11 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1n77 h TYR 256 Cb 0.80 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 1n77 h TYR 256 CO 0.05 0.59 -0.11 -0.22 -0.00 0.00 0.00 178.16 178.47 1n77 h LYS 257 N 0.33 0.47 0.00 4.88 3.64 -1.28 -1.89 116.57 122.72 1n77 h LYS 257 Ca 0.09 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1n77 h LYS 257 Cb 0.34 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1n77 h LYS 257 CO 0.01 0.58 -0.59 0.00 -2.27 0.00 0.00 179.45 177.17 1n77 h ALA 258 N 1.45 0.90 -0.00 5.00 0.00 -0.79 -3.08 119.26 122.73 1n77 h ALA 258 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n77 h ALA 258 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n77 h ALA 258 CO 0.03 0.74 -0.03 -1.91 0.00 0.00 0.00 179.25 178.08 1n77 n GLU 259 N -3.66 0.87 -0.33 0.00 4.07 -0.17 -4.91 120.64 116.52 1n77 n GLU 259 Ca -0.01 -0.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1n77 n GLU 259 Cb 0.63 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1n77 n GLU 259 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n77 n GLY 260 N 1.15 0.80 3.78 8.31 0.00 -1.14 -3.89 105.19 114.20 1n77 n GLY 260 Ca 0.19 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1n77 n GLY 260 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n77 s PHE 261 N -2.00 3.82 -0.05 1.61 0.40 -0.74 -1.15 117.98 119.86 1n77 s PHE 261 Ca 0.00 1.45 -0.28 0.00 -0.60 0.00 0.00 56.93 57.50 1n77 s PHE 261 Cb 0.00 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 1n77 s PHE 261 CO 0.00 0.47 0.91 -0.51 0.70 0.00 0.00 175.22 176.79 1n77 s LEU 262 N -0.81 4.32 0.36 -0.37 1.43 -1.26 -4.55 118.68 117.80 1n77 s LEU 262 Ca 0.34 1.49 0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1n77 s LEU 262 Cb -0.21 -3.44 0.89 0.00 0.03 0.00 0.00 46.19 43.46 1n77 s LEU 262 CO 0.23 -0.28 1.83 1.55 0.23 0.00 0.00 176.35 179.91 1n77 h PRO 263 N 6.90 0.60 -0.89 1.29 0.13 -1.95 0.15 132.00 138.24 1n77 h PRO 263 Ca -0.38 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1n77 h PRO 263 Cb 1.19 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1n77 h PRO 263 CO 0.78 0.40 0.48 0.93 -0.23 0.00 0.00 178.00 180.35 1n77 h GLU 264 N 0.62 1.25 -0.13 0.86 3.07 -1.89 0.63 114.58 118.97 1n77 h GLU 264 Ca 0.50 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 1n77 h GLU 264 Cb 0.94 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1n77 h GLU 264 CO -0.25 0.92 -0.12 0.00 -1.40 0.00 0.00 179.01 178.16 1n77 h ALA 265 N 1.27 0.19 -0.82 3.43 0.00 -1.16 -1.62 119.26 120.56 1n77 h ALA 265 Ca 0.31 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1n77 h ALA 265 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1n77 h ALA 265 CO -0.05 0.05 0.51 1.25 0.00 0.00 0.00 179.25 181.02 1n77 h LEU 266 N -0.06 0.83 -0.68 0.00 6.46 -0.76 0.12 115.31 121.23 1n77 h LEU 266 Ca 0.02 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 1n77 h LEU 266 Cb 0.64 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1n77 h LEU 266 CO 0.03 0.56 -0.15 -0.09 -0.62 0.00 0.00 178.44 178.17 1n77 h ARG 267 N 0.98 0.87 -0.47 1.25 2.43 -0.85 -1.46 114.38 117.12 1n77 h ARG 267 Ca 0.34 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1n77 h ARG 267 Cb 0.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1n77 h ARG 267 CO -0.14 0.96 -0.10 -0.97 -1.51 0.00 0.00 179.97 178.21 1n77 h ASN 268 N 0.77 0.91 -0.50 -3.80 -0.00 -0.57 -2.49 115.58 109.89 1n77 h ASN 268 Ca 0.12 -0.36 -0.01 0.00 -0.00 0.00 0.00 56.30 56.06 1n77 h ASN 268 Cb 0.68 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 1n77 h ASN 268 CO 0.05 1.05 0.29 0.22 -0.00 0.00 0.00 177.43 179.04 1n77 h TYR 269 N 0.75 0.67 -0.23 0.67 3.20 -0.51 -1.75 116.97 119.77 1n77 h TYR 269 Ca 0.12 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1n77 h TYR 269 Cb 0.65 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1n77 h TYR 269 CO 0.05 0.47 0.16 -0.07 -1.64 0.00 0.00 178.16 177.13 1n77 h LEU 270 N 0.66 0.12 -1.03 2.82 4.07 -1.13 -0.68 115.31 120.14 1n77 h LEU 270 Ca 0.18 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.09 1n77 h LEU 270 Cb 0.01 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1n77 h LEU 270 CO -0.03 0.08 0.16 0.00 -1.08 0.00 0.00 178.44 177.57 1n77 n LEU 272 N -4.28 0.00 -3.92 0.00 4.32 -0.27 -2.47 117.00 110.38 1n77 n LEU 272 Ca 0.04 0.47 -0.42 0.00 -0.02 0.00 0.00 56.01 56.08 1n77 n LEU 272 Cb 0.21 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1n77 n LEU 272 CO 0.40 -0.16 2.36 0.23 -1.22 0.00 0.00 177.39 179.00 1n77 n MET 273 N -1.47 3.10 0.00 3.23 2.81 -0.68 -3.83 117.12 120.28 1n77 n MET 273 Ca 0.05 -2.97 0.00 0.00 -1.81 0.00 0.00 57.70 52.98 1n77 n MET 273 Cb 0.22 -3.22 0.00 0.00 -0.71 0.00 0.00 33.22 29.50 1n77 n MET 273 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n77 n GLY 274 N 3.99 1.13 3.12 3.03 0.00 -1.26 -4.98 105.19 110.21 1n77 n GLY 274 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1n77 n GLY 274 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n77 s PHE 275 N -2.00 0.84 -0.13 1.61 2.19 -1.03 -0.31 117.98 119.15 1n77 s PHE 275 Ca 0.00 -0.64 -0.16 0.00 0.33 0.00 0.00 56.93 56.46 1n77 s PHE 275 Cb 0.00 -0.49 0.04 0.00 -1.31 0.00 0.00 43.02 41.26 1n77 s PHE 275 CO 0.00 -0.08 0.42 -1.54 1.83 0.00 0.00 175.22 175.86 1n77 s SER 276 N -2.17 -0.41 0.39 6.13 1.04 -1.20 -4.11 113.70 113.37 1n77 s SER 276 Ca -0.00 0.71 -0.24 0.00 0.48 0.00 0.00 55.95 56.89 1n77 s SER 276 Cb -0.04 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 1n77 s SER 276 CO -0.01 -0.24 1.03 -0.04 0.98 0.00 0.00 173.24 174.96 1n77 s MET 277 N -0.17 4.24 0.22 4.02 -1.94 -1.26 -4.90 119.30 119.51 1n77 s MET 277 Ca -0.03 1.46 -0.08 0.00 -1.71 0.00 0.00 55.69 55.32 1n77 s MET 277 Cb -0.03 -2.56 0.36 0.00 2.01 0.00 0.00 34.83 34.61 1n77 s MET 277 CO 0.02 -0.07 1.68 -1.00 -0.01 0.00 0.00 175.02 175.64 1n77 h PRO 278 N 2.56 0.19 0.00 2.03 0.13 -1.94 0.48 132.00 135.46 1n77 h PRO 278 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n77 h PRO 278 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1n77 h PRO 278 CO 0.63 0.13 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 1n77 n ASP 279 N -5.21 0.00 -0.42 1.44 3.85 -1.26 -4.88 116.55 110.07 1n77 n ASP 279 Ca 0.11 -1.93 -0.06 0.00 -0.71 0.00 0.00 54.79 52.21 1n77 n ASP 279 Cb 0.39 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.14 1n77 n ASP 279 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n77 n GLY 280 N 0.53 0.62 3.76 6.12 0.00 0.17 -4.97 105.19 111.43 1n77 n GLY 280 Ca 0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1n77 n GLY 280 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n77 s ARG 281 N -2.19 4.45 -0.05 1.61 1.70 -1.26 -4.89 118.95 118.31 1n77 s ARG 281 Ca 0.00 1.93 0.21 0.00 -0.47 0.00 0.00 55.73 57.40 1n77 s ARG 281 Cb 0.00 -3.06 -0.30 0.00 -0.57 0.00 0.00 34.95 31.02 1n77 s ARG 281 CO 0.00 -0.00 0.42 0.39 -1.08 0.00 0.00 175.30 175.03 1n77 n GLU 282 N 0.87 0.66 -3.79 3.89 1.02 -1.26 -4.43 120.64 117.60 1n77 n GLU 282 Ca 0.00 -0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.65 1n77 n GLU 282 Cb 0.44 -1.54 -0.12 0.00 -0.02 0.00 0.00 31.44 30.20 1n77 n GLU 282 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n77 s ILE 283 N -3.27 4.48 0.22 -3.67 -1.09 -1.26 -4.95 121.20 111.66 1n77 s ILE 283 Ca -0.08 -0.12 -0.21 0.00 -2.23 0.00 0.00 60.65 58.01 1n77 s ILE 283 Cb 0.12 -3.09 0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1n77 s ILE 283 CO 0.88 0.35 0.64 0.72 -1.23 0.00 0.00 174.94 176.30 1n77 s PHE 284 N 1.43 -0.31 0.66 3.97 -0.71 -1.26 -5.18 117.98 116.59 1n77 s PHE 284 Ca 0.06 -0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 55.85 1n77 s PHE 284 Cb -0.15 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.31 1n77 s PHE 284 CO 0.04 -1.04 0.96 0.95 -1.34 0.00 0.00 175.22 174.80 1n77 s THR 285 N -3.85 2.61 0.30 -4.49 -4.23 -1.26 -4.87 115.64 99.85 1n77 s THR 285 Ca 0.07 -0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1n77 s THR 285 Cb -0.03 -3.10 0.11 0.00 1.34 0.00 0.00 72.50 70.82 1n77 s THR 285 CO -0.02 -0.10 1.79 0.25 -0.54 0.00 0.00 174.62 175.99 1n77 h LEU 286 N -0.43 0.52 -0.55 4.79 5.85 -1.98 -1.01 115.31 122.50 1n77 h LEU 286 Ca -0.44 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.01 1n77 h LEU 286 Cb 1.30 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1n77 h LEU 286 CO 0.59 0.68 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.79 1n77 h GLU 287 N 0.50 0.90 0.00 1.25 4.39 -2.00 -2.17 114.58 117.44 1n77 h GLU 287 Ca 0.09 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 1n77 h GLU 287 Cb 0.51 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1n77 h GLU 287 CO 0.03 1.04 -0.27 0.93 -1.16 0.00 0.00 179.01 179.59 1n77 h GLU 288 N 0.77 0.00 -0.13 2.33 5.08 -1.82 -2.19 114.58 118.62 1n77 h GLU 288 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1n77 h GLU 288 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1n77 h GLU 288 CO 0.07 0.27 -0.08 0.35 -1.00 0.00 0.00 179.01 178.62 1n77 h PHE 289 N 0.00 0.33 -0.05 4.33 3.57 -0.60 -2.08 116.94 122.43 1n77 h PHE 289 Ca -0.00 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 1n77 h PHE 289 Cb 0.54 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1n77 h PHE 289 CO 0.00 0.64 -0.43 -0.84 -2.23 0.00 0.00 178.31 175.45 1n77 h ILE 290 N -0.07 1.32 -0.45 1.41 3.07 -1.17 -1.30 117.51 120.31 1n77 h ILE 290 Ca 0.03 -1.53 -0.13 0.00 1.55 0.00 0.00 64.86 64.78 1n77 h ILE 290 Cb 0.56 1.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.86 1n77 h ILE 290 CO 0.02 0.45 -0.21 -0.61 -1.05 0.00 0.00 178.15 176.74 1n77 h GLN 291 N 0.09 0.94 -0.13 0.16 5.75 -1.35 -3.11 115.11 117.46 1n77 h GLN 291 Ca 0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1n77 h GLN 291 Cb 0.80 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1n77 h GLN 291 CO 0.06 1.07 0.00 0.00 -2.65 0.00 0.00 178.83 177.31 1n77 n ALA 292 N -2.51 2.52 -1.77 3.38 0.00 -0.79 -4.97 120.51 116.37 1n77 n ALA 292 Ca -0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 1n77 n ALA 292 Cb 0.45 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 1n77 n ALA 292 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n77 s PHE 293 N -1.84 2.82 -0.29 0.00 5.36 -0.50 -4.98 117.98 118.55 1n77 s PHE 293 Ca 0.34 1.36 -0.16 0.00 -0.96 0.00 0.00 56.93 57.52 1n77 s PHE 293 Cb 0.20 -3.75 0.14 0.00 -0.34 0.00 0.00 43.02 39.26 1n77 s PHE 293 CO 0.30 -2.23 0.92 -0.08 -1.46 0.00 0.00 175.22 172.67 1n77 s THR 294 N -1.20 -0.05 -1.55 0.12 -1.32 -1.26 -5.02 115.64 105.36 1n77 s THR 294 Ca 0.54 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.06 1n77 s THR 294 Cb -0.40 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.67 1n77 s THR 294 CO 0.53 0.00 0.91 0.79 -2.21 0.00 0.00 174.62 174.64 1n77 n TRP 295 N 3.92 0.00 0.08 9.09 7.02 -1.26 -1.19 117.44 135.10 1n77 n TRP 295 Ca -0.18 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.19 1n77 n TRP 295 Cb 0.57 -0.22 -0.04 0.00 -2.42 0.00 0.00 31.31 29.20 1n77 n TRP 295 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1n77 h GLU 296 N 0.00 0.26 -0.78 -0.99 5.08 -1.99 -3.24 114.58 112.92 1n77 h GLU 296 Ca 0.00 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1n77 h GLU 296 Cb 0.03 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1n77 h GLU 296 CO 0.00 1.04 0.06 0.54 -1.00 0.00 0.00 179.01 179.65 1n77 n ARG 297 N -3.65 3.23 -3.71 2.33 5.12 -0.34 -4.85 116.66 114.78 1n77 n ARG 297 Ca -0.05 -1.97 -0.37 0.00 -1.93 0.00 0.00 57.85 53.53 1n77 n ARG 297 Cb 0.85 -1.95 -0.12 0.00 -1.16 0.00 0.00 32.46 30.08 1n77 n ARG 297 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1n77 s VAL 298 N -2.10 4.41 0.48 1.55 1.01 -1.23 -3.22 120.40 121.29 1n77 s VAL 298 Ca 0.35 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1n77 s VAL 298 Cb 0.27 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1n77 s VAL 298 CO 0.10 0.22 0.91 -0.94 0.00 0.00 0.00 175.10 175.38 1n77 s SER 299 N 1.61 6.58 0.00 3.32 1.04 0.57 -5.00 113.70 121.82 1n77 s SER 299 Ca 0.05 1.41 0.16 0.00 0.48 0.00 0.00 55.95 58.05 1n77 s SER 299 Cb -0.16 -2.44 0.32 0.00 0.10 0.00 0.00 66.02 63.84 1n77 s SER 299 CO 0.05 -0.52 1.23 0.18 0.98 0.00 0.00 173.24 175.15 1n77 n LEU 300 N -1.50 2.96 -4.81 2.42 4.77 -1.26 -4.76 117.00 114.82 1n77 n LEU 300 Ca 0.05 -1.60 -0.33 0.00 -0.03 0.00 0.00 56.01 54.09 1n77 n LEU 300 Cb 0.54 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1n77 n LEU 300 CO 0.47 0.67 0.68 -0.83 -1.33 0.00 0.00 177.39 177.05 1n77 s GLY 301 N -1.14 2.45 -0.63 -0.72 0.00 -1.26 -4.79 107.32 101.23 1n77 s GLY 301 Ca 0.28 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 45.22 1n77 s GLY 301 CO 0.22 0.79 1.55 -0.32 0.00 0.00 0.00 173.10 175.34 1n77 s GLY 302 N -2.08 0.63 0.26 0.20 0.00 -1.26 -4.84 107.32 100.23 1n77 s GLY 302 Ca 0.64 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1n77 s GLY 302 CO 0.16 2.99 1.53 2.56 0.00 0.00 0.00 173.10 180.35 1n77 s PRO 303 N 6.15 4.19 -0.05 2.90 0.04 -1.25 -4.73 135.00 142.24 1n77 s PRO 303 Ca 0.53 2.44 -0.21 0.00 0.04 0.00 0.00 61.00 63.80 1n77 s PRO 303 Cb -0.11 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1n77 s PRO 303 CO 0.20 -0.54 0.62 0.08 0.04 0.00 0.00 177.00 177.40 1n77 s VAL 304 N 0.13 5.01 -0.48 -0.36 1.01 -1.26 -0.20 120.40 124.25 1n77 s VAL 304 Ca 0.63 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1n77 s VAL 304 Cb -0.45 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.00 1n77 s VAL 304 CO 0.44 0.33 1.04 0.12 0.00 0.00 0.00 175.10 177.03 1n77 s PHE 305 N 0.36 2.85 -0.63 5.22 2.19 -0.79 -4.89 117.98 122.30 1n77 s PHE 305 Ca 0.33 0.51 -0.18 0.00 0.33 0.00 0.00 56.93 57.92 1n77 s PHE 305 Cb -0.17 -4.22 0.12 0.00 -1.31 0.00 0.00 43.02 37.43 1n77 s PHE 305 CO 0.16 -1.22 0.70 0.34 1.83 0.00 0.00 175.22 177.03 1n77 s ASP 306 N 2.42 6.26 0.37 6.13 3.68 -1.26 -4.75 116.67 129.53 1n77 s ASP 306 Ca 0.42 -1.65 0.13 0.00 2.13 0.00 0.00 52.55 53.58 1n77 s ASP 306 Cb -0.09 -2.28 0.95 0.00 -1.45 0.00 0.00 42.92 40.05 1n77 s ASP 306 CO 0.29 -1.02 1.82 0.25 0.13 0.00 0.00 175.17 176.63 1n77 h LEU 307 N 9.62 0.57 -0.40 -1.34 6.46 -1.99 -0.32 115.31 127.90 1n77 h LEU 307 Ca -0.23 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1n77 h LEU 307 Cb 1.08 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1n77 h LEU 307 CO 1.06 0.21 0.24 -0.08 -0.62 0.00 0.00 178.44 179.25 1n77 h GLU 308 N 0.55 0.54 -0.46 1.25 4.57 -1.99 0.47 114.58 119.51 1n77 h GLU 308 Ca 0.53 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.56 1n77 h GLU 308 Cb 1.10 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1n77 h GLU 308 CO -0.27 0.40 -0.11 -0.22 -1.18 0.00 0.00 179.01 177.63 1n77 h LYS 309 N 0.53 0.84 0.16 1.92 3.11 -1.51 -1.82 116.57 119.80 1n77 h LYS 309 Ca 0.14 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1n77 h LYS 309 Cb -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 1n77 h LYS 309 CO -0.03 0.91 -0.13 1.25 -2.81 0.00 0.00 179.45 178.64 1n77 h LEU 310 N 0.75 -0.33 -0.36 5.20 6.46 -0.84 0.14 115.31 126.32 1n77 h LEU 310 Ca 0.13 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.99 1n77 h LEU 310 Cb 0.61 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.58 1n77 h LEU 310 CO 0.04 -0.20 -0.13 0.03 -0.62 0.00 0.00 178.44 177.56 1n77 h ARG 311 N -0.30 -0.05 -0.35 1.25 3.08 -0.72 0.42 114.38 117.71 1n77 h ARG 311 Ca -0.01 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1n77 h ARG 311 Cb 0.27 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1n77 h ARG 311 CO -0.01 -0.03 -0.07 2.35 -1.07 0.00 0.00 179.97 181.13 1n77 h TRP 312 N -0.05 -0.16 -0.49 3.04 7.01 -0.88 0.03 115.95 124.45 1n77 h TRP 312 Ca 0.18 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.23 1n77 h TRP 312 Cb 0.32 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 1n77 h TRP 312 CO -0.36 -0.14 0.29 1.98 -2.79 0.00 0.00 178.44 177.42 1n77 h MET 313 N 0.01 0.57 -0.80 2.65 4.05 0.88 -0.66 114.93 121.62 1n77 h MET 313 Ca 0.17 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.60 1n77 h MET 313 Cb 0.25 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 1n77 h MET 313 CO -0.35 0.38 0.50 -0.97 0.23 0.00 0.00 176.91 176.69 1n77 h ASN 314 N 0.58 0.80 0.17 1.39 -1.24 0.59 -0.15 115.58 117.72 1n77 h ASN 314 Ca 0.20 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.14 1n77 h ASN 314 Cb 0.02 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1n77 h ASN 314 CO -0.09 0.53 -0.28 1.23 -1.29 0.00 0.00 177.43 177.54 1n77 h GLY 315 N 0.94 0.21 1.13 1.57 0.00 -0.26 -1.87 103.07 104.78 1n77 h GLY 315 Ca 0.33 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 1n77 h GLY 315 CO -0.14 0.14 0.03 1.70 0.00 0.00 0.00 176.54 178.28 1n77 h LYS 316 N 0.17 1.05 -0.21 4.80 1.63 0.43 -1.41 116.57 123.03 1n77 h LYS 316 Ca 0.03 -0.31 -0.05 0.00 -0.85 0.00 0.00 60.65 59.47 1n77 h LYS 316 Cb 0.59 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1n77 h LYS 316 CO 0.04 1.00 -0.07 1.88 -3.45 0.00 0.00 179.45 178.85 1n77 h TYR 317 N 0.97 0.47 -0.96 1.91 0.05 -0.89 0.99 116.97 119.50 1n77 h TYR 317 Ca 0.18 -0.11 0.09 0.00 0.05 0.00 0.00 58.73 58.95 1n77 h TYR 317 Cb 0.51 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.06 1n77 h TYR 317 CO 0.04 0.68 0.60 0.82 -1.05 0.00 0.00 178.16 179.24 1n77 h ILE 318 N 0.12 0.98 -0.01 -2.88 2.04 -1.17 -1.53 117.51 115.06 1n77 h ILE 318 Ca 0.05 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1n77 h ILE 318 Cb 0.54 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1n77 h ILE 318 CO 0.02 0.18 -0.59 -2.11 0.00 0.00 0.00 178.15 175.66 1n77 n ARG 319 N -4.61 1.34 0.00 2.37 1.85 -0.55 -4.60 116.66 112.47 1n77 n ARG 319 Ca 0.16 -0.49 0.00 0.00 -1.00 0.00 0.00 57.85 56.52 1n77 n ARG 319 Cb 0.28 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 1n77 n ARG 319 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1n77 n GLU 320 N -0.68 3.10 -0.09 2.89 1.02 0.33 -4.94 120.64 122.27 1n77 n GLU 320 Ca 0.06 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 1n77 n GLU 320 Cb 0.34 -0.65 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 1n77 n GLU 320 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n77 n VAL 321 N -0.70 1.12 -2.32 2.62 0.31 -0.65 -5.00 118.33 113.70 1n77 n VAL 321 Ca 0.00 -0.18 -0.32 0.00 -0.01 0.00 0.00 64.34 63.82 1n77 n VAL 321 Cb 0.00 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 1n77 n VAL 321 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1n77 s LEU 322 N -7.14 3.58 0.68 7.52 1.43 -0.73 -5.05 118.68 118.97 1n77 s LEU 322 Ca -0.26 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 1n77 s LEU 322 Cb 0.09 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.81 1n77 s LEU 322 CO 0.33 -0.66 1.06 -0.94 0.23 0.00 0.00 176.35 176.37 1n77 s SER 323 N -3.13 5.50 0.20 2.29 1.04 -1.26 -4.81 113.70 113.52 1n77 s SER 323 Ca 0.59 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 1n77 s SER 323 Cb -0.11 -1.91 0.18 0.00 0.10 0.00 0.00 66.02 64.29 1n77 s SER 323 CO 0.34 -1.28 1.80 0.25 0.98 0.00 0.00 173.24 175.33 1n77 h LEU 324 N -0.56 0.49 -0.75 2.42 6.46 -1.96 -1.65 115.31 119.75 1n77 h LEU 324 Ca -0.45 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 1n77 h LEU 324 Cb 1.25 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.05 1n77 h LEU 324 CO 0.63 0.33 0.43 -0.33 -0.62 0.00 0.00 178.44 178.89 1n77 h GLU 325 N 0.63 0.75 -0.24 1.25 3.07 -1.97 -1.72 114.58 116.36 1n77 h GLU 325 Ca 0.26 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 1n77 h GLU 325 Cb 0.14 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1n77 h GLU 325 CO -0.16 0.50 -0.37 0.93 -1.40 0.00 0.00 179.01 178.51 1n77 h GLU 326 N 0.78 0.53 -0.44 2.33 4.39 -1.69 -2.45 114.58 118.02 1n77 h GLU 326 Ca 0.34 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1n77 h GLU 326 Cb 0.23 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1n77 h GLU 326 CO -0.20 0.82 -0.17 0.28 -1.16 0.00 0.00 179.01 178.58 1n77 h VAL 327 N 0.44 1.27 -0.79 3.13 2.07 -0.96 -1.54 116.25 119.88 1n77 h VAL 327 Ca 0.04 -1.31 0.11 0.00 0.82 0.00 0.00 66.70 66.36 1n77 h VAL 327 Cb 0.85 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1n77 h VAL 327 CO 0.07 0.45 0.42 0.00 0.02 0.00 0.00 177.57 178.52 1n77 h ALA 328 N 0.85 1.12 -0.27 1.67 0.00 -1.13 0.34 119.26 121.84 1n77 h ALA 328 Ca 0.10 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1n77 h ALA 328 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1n77 h ALA 328 CO 0.06 -0.01 -0.08 0.93 0.00 0.00 0.00 179.25 180.15 1n77 h GLU 329 N 0.67 0.53 0.00 0.00 4.39 -1.27 -3.11 114.58 115.78 1n77 h GLU 329 Ca 0.39 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1n77 h GLU 329 Cb 0.44 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1n77 h GLU 329 CO -0.29 0.75 0.00 0.00 -1.16 0.00 0.00 179.01 178.32 1n77 h ARG 330 N 0.27 0.00 0.00 2.33 3.08 -0.37 -2.87 114.38 116.82 1n77 h ARG 330 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1n77 h ARG 330 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1n77 h ARG 330 CO 0.03 0.00 -0.60 0.28 -1.07 0.00 0.00 179.97 178.61 1n77 h VAL 331 N 0.00 0.36 -0.19 2.04 2.07 -0.90 -3.39 116.25 116.24 1n77 h VAL 331 Ca 0.00 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.01 1n77 h VAL 331 Cb 0.43 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 1n77 h VAL 331 CO 0.00 0.21 -0.34 0.11 0.02 0.00 0.00 177.57 177.57 1n77 h LYS 332 N 0.00 -0.37 -0.63 1.57 1.57 -1.47 -1.72 116.57 115.51 1n77 h LYS 332 Ca -0.03 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1n77 h LYS 332 Cb 1.22 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1n77 h LYS 332 CO 0.03 -0.25 0.46 -1.00 -0.57 0.00 0.00 179.45 178.12 1n77 h PRO 333 N -0.38 0.00 0.04 3.15 0.13 -1.78 0.82 132.00 133.97 1n77 h PRO 333 Ca 0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.01 1n77 h PRO 333 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1n77 h PRO 333 CO -0.40 0.00 -1.01 0.74 -0.23 0.00 0.00 178.00 177.10 1n77 h PHE 334 N 0.00 0.41 -0.34 1.56 0.04 -1.59 -0.35 116.94 116.67 1n77 h PHE 334 Ca 0.30 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1n77 h PHE 334 Cb 1.21 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 1n77 h PHE 334 CO 0.00 1.11 0.02 -0.07 -0.60 0.00 0.00 178.31 178.77 1n77 h LEU 335 N 0.12 0.58 -1.46 1.54 3.38 -0.58 -2.10 115.31 116.79 1n77 h LEU 335 Ca -0.08 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1n77 h LEU 335 Cb 1.68 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 1n77 h LEU 335 CO 0.16 0.73 0.33 0.03 0.09 0.00 0.00 178.44 179.78 1n77 h ARG 336 N 0.41 0.69 0.00 1.13 3.08 -0.76 -1.31 114.38 117.62 1n77 h ARG 336 Ca 0.10 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1n77 h ARG 336 Cb 0.43 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1n77 h ARG 336 CO 0.01 0.47 -0.15 1.49 -1.07 0.00 0.00 179.97 180.72 1n77 h GLU 337 N 0.71 0.00 -0.52 0.04 4.81 -0.69 -2.82 114.58 116.12 1n77 h GLU 337 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1n77 h GLU 337 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1n77 h GLU 337 CO -0.04 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.40 1n77 n ALA 338 N -2.17 2.42 -1.51 2.92 0.00 -0.58 -4.91 120.51 116.68 1n77 n ALA 338 Ca 0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 1n77 n ALA 338 Cb 0.43 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1n77 n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n77 n GLY 339 N 1.36 1.02 3.82 0.00 0.00 -1.06 -5.01 105.19 105.32 1n77 n GLY 339 Ca 0.18 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1n77 n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n77 s LEU 340 N -2.81 3.86 0.02 0.99 1.43 -0.68 -5.03 118.68 116.45 1n77 s LEU 340 Ca 0.00 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1n77 s LEU 340 Cb 0.00 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1n77 s LEU 340 CO 0.00 0.03 0.03 -0.94 0.23 0.00 0.00 176.35 175.69 1n77 s SER 341 N -3.40 0.20 0.13 2.29 1.04 -1.26 -4.03 113.70 108.67 1n77 s SER 341 Ca 0.32 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.31 1n77 s SER 341 Cb -0.09 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1n77 s SER 341 CO 0.24 -0.37 0.11 -1.66 0.98 0.00 0.00 173.24 172.54 1n77 s TRP 342 N -1.81 3.16 -0.01 5.02 -2.14 -1.26 -4.80 118.94 117.10 1n77 s TRP 342 Ca -0.12 0.01 0.13 0.00 2.66 0.00 0.00 56.10 58.78 1n77 s TRP 342 Cb -0.07 -1.55 0.11 0.00 -3.10 0.00 0.00 33.47 28.86 1n77 s TRP 342 CO -0.02 0.52 1.46 1.05 -2.66 0.00 0.00 176.95 177.30 1n77 h GLU 343 N 2.75 0.00 -2.34 3.25 4.11 -1.96 -3.48 114.58 116.91 1n77 h GLU 343 Ca -0.47 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.12 1n77 h GLU 343 Cb 1.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1n77 h GLU 343 CO 0.64 0.62 0.48 -1.54 0.07 0.00 0.00 179.01 179.28 1n77 s SER 344 N -6.54 -0.21 0.14 3.06 1.04 -1.26 -4.99 113.70 104.94 1n77 s SER 344 Ca 0.02 -0.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 1n77 s SER 344 Cb 0.09 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1n77 s SER 344 CO 0.76 -0.86 1.64 -0.33 0.98 0.00 0.00 173.24 175.42 1n77 h GLU 345 N 2.00 0.76 -0.77 4.02 4.39 -1.99 -1.77 114.58 121.22 1n77 h GLU 345 Ca -0.24 -0.19 0.09 0.00 0.34 0.00 0.00 59.36 59.36 1n77 h GLU 345 Cb 1.23 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 1n77 h GLU 345 CO 0.26 0.76 0.42 0.00 -1.16 0.00 0.00 179.01 179.29 1n77 h ALA 346 N 0.97 1.09 0.13 3.43 0.00 -1.99 -0.04 119.26 122.84 1n77 h ALA 346 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1n77 h ALA 346 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n77 h ALA 346 CO 0.00 0.04 -0.06 -0.92 0.00 0.00 0.00 179.25 178.31 1n77 h TYR 347 N 0.71 -0.16 -0.68 0.00 3.20 -1.87 -2.59 116.97 115.58 1n77 h TYR 347 Ca 0.37 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.32 1n77 h TYR 347 Cb 0.36 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 1n77 h TYR 347 CO -0.08 0.15 0.36 1.25 -1.64 0.00 0.00 178.16 178.20 1n77 h LEU 348 N -0.47 0.50 -0.47 2.82 5.85 -0.88 0.42 115.31 123.08 1n77 h LEU 348 Ca -0.02 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1n77 h LEU 348 Cb 0.38 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1n77 h LEU 348 CO 0.03 0.30 0.26 -0.09 -0.34 0.00 0.00 178.44 178.60 1n77 h ARG 349 N 0.64 0.50 -0.46 1.25 2.43 -0.99 0.28 114.38 118.03 1n77 h ARG 349 Ca 0.32 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1n77 h ARG 349 Cb 0.28 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1n77 h ARG 349 CO -0.23 0.33 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.38 1n77 h ARG 350 N 0.51 0.82 -0.31 0.20 9.65 -0.96 -0.27 114.38 124.03 1n77 h ARG 350 Ca 0.19 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1n77 h ARG 350 Cb 0.06 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1n77 h ARG 350 CO -0.11 0.88 0.08 0.00 2.80 0.00 0.00 179.97 183.63 1n77 h ALA 351 N 1.15 0.40 -0.35 2.80 0.00 -0.05 -2.46 119.26 120.76 1n77 h ALA 351 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1n77 h ALA 351 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1n77 h ALA 351 CO 0.04 0.05 -0.09 0.28 0.00 0.00 0.00 179.25 179.53 1n77 h VAL 352 N 0.33 1.23 -0.29 0.00 2.07 -0.27 -2.74 116.25 116.59 1n77 h VAL 352 Ca 0.10 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1n77 h VAL 352 Cb 0.27 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1n77 h VAL 352 CO -0.00 0.34 0.17 -0.08 0.02 0.00 0.00 177.57 178.02 1n77 h GLU 353 N 0.54 0.39 0.00 1.57 4.81 -0.79 0.12 114.58 121.22 1n77 h GLU 353 Ca 0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1n77 h GLU 353 Cb 0.49 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1n77 h GLU 353 CO 0.03 0.31 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.39 1n77 h LEU 354 N 0.36 0.00 0.00 1.64 3.38 -1.31 -3.09 115.31 116.29 1n77 h LEU 354 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n77 h LEU 354 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1n77 h LEU 354 CO -0.02 0.16 -1.28 0.80 0.09 0.00 0.00 178.44 178.19 1n77 n MET 355 N -3.54 0.19 -0.32 1.13 1.56 -0.95 -4.64 117.12 110.55 1n77 n MET 355 Ca -0.01 -0.06 0.10 0.00 -0.27 0.00 0.00 57.70 57.46 1n77 n MET 355 Cb 0.30 -1.51 0.22 0.00 2.15 0.00 0.00 33.22 34.39 1n77 n MET 355 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1n77 h ARG 356 N 0.00 0.04 -0.04 2.12 3.08 -0.68 0.73 114.38 119.63 1n77 h ARG 356 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n77 h ARG 356 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1n77 h ARG 356 CO 0.00 0.03 0.00 -0.35 -1.07 0.00 0.00 179.97 178.58 1n77 n PRO 357 N -5.46 1.10 -0.03 0.04 -0.04 -1.26 -3.83 135.00 125.52 1n77 n PRO 357 Ca 0.19 -0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1n77 n PRO 357 Cb 0.62 -1.06 0.04 0.00 -0.04 0.00 0.00 33.50 33.07 1n77 n PRO 357 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n77 n ARG 358 N -0.40 1.11 -3.80 0.54 1.74 0.25 -5.00 116.66 111.12 1n77 n ARG 358 Ca 0.03 -1.21 -0.14 0.00 -0.77 0.00 0.00 57.85 55.76 1n77 n ARG 358 Cb 0.04 -1.11 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1n77 n ARG 358 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1n77 s PHE 359 N -0.67 -0.05 -0.74 -1.55 -0.12 -1.21 -5.00 117.98 108.63 1n77 s PHE 359 Ca 0.08 0.21 0.22 0.00 -0.05 0.00 0.00 56.93 57.40 1n77 s PHE 359 Cb 0.05 -0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.26 1n77 s PHE 359 CO 0.07 -0.08 0.94 -0.25 -0.05 0.00 0.00 175.22 175.84 1n77 n ASP 360 N 3.75 0.68 -3.99 1.98 8.00 -1.26 -4.77 116.55 120.93 1n77 n ASP 360 Ca -0.21 -0.53 -0.12 0.00 0.71 0.00 0.00 54.79 54.63 1n77 n ASP 360 Cb 0.54 0.99 -0.12 0.00 -0.02 0.00 0.00 41.12 42.51 1n77 n ASP 360 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n77 s THR 361 N -3.13 0.32 0.45 -3.53 -4.23 -1.26 -3.10 115.64 101.16 1n77 s THR 361 Ca 0.05 -0.72 0.21 0.00 -1.18 0.00 0.00 61.69 60.05 1n77 s THR 361 Cb 0.15 -0.38 0.41 0.00 1.34 0.00 0.00 72.50 74.02 1n77 s THR 361 CO 0.83 -0.27 1.86 -0.07 -0.54 0.00 0.00 174.62 176.44 1n77 h LEU 362 N 5.06 0.30 -1.14 4.79 3.38 -1.36 0.75 115.31 127.09 1n77 h LEU 362 Ca -0.32 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1n77 h LEU 362 Cb 1.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1n77 h LEU 362 CO 0.44 0.11 -0.21 0.50 0.09 0.00 0.00 178.44 179.37 1n77 h LYS 363 N 0.29 0.00 0.00 1.13 3.64 -1.79 -2.98 116.57 116.87 1n77 h LYS 363 Ca 0.46 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.76 1n77 h LYS 363 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1n77 h LYS 363 CO -0.14 0.21 -0.39 0.93 -2.27 0.00 0.00 179.45 177.79 1n77 h GLU 364 N 0.00 0.00 0.28 1.90 5.08 -1.14 -3.34 114.58 117.36 1n77 h GLU 364 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n77 h GLU 364 Cb 0.73 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1n77 h GLU 364 CO 0.03 0.39 -0.50 0.35 -1.00 0.00 0.00 179.01 178.27 1n77 h PHE 365 N 0.00 -1.43 0.00 4.33 3.57 -1.56 -1.15 116.94 120.71 1n77 h PHE 365 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1n77 h PHE 365 Cb 0.94 0.59 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1n77 h PHE 365 CO 0.00 -0.62 0.00 -1.35 -2.23 0.00 0.00 178.31 174.11 1n77 h PRO 366 N -0.85 0.00 0.15 6.41 0.11 -1.77 -0.78 132.00 135.27 1n77 h PRO 366 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1n77 h PRO 366 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1n77 h PRO 366 CO -0.19 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 178.46 1n77 h GLU 367 N 0.00 -0.19 0.00 1.05 5.08 -1.46 -2.52 114.58 116.53 1n77 h GLU 367 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n77 h GLU 367 Cb 0.22 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1n77 h GLU 367 CO 0.00 0.19 -0.13 0.87 -1.00 0.00 0.00 179.01 178.94 1n77 h LYS 368 N -0.94 0.00 -0.27 2.33 1.57 -1.18 -3.27 116.57 114.81 1n77 h LYS 368 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1n77 h LYS 368 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1n77 h LYS 368 CO 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 1n77 n ALA 369 N -1.82 2.24 -0.31 3.86 0.00 -0.31 -4.76 120.51 119.41 1n77 n ALA 369 Ca 0.05 -1.28 0.18 0.00 0.00 0.00 0.00 53.44 52.39 1n77 n ALA 369 Cb 0.44 -0.39 0.37 0.00 0.00 0.00 0.00 19.45 19.86 1n77 n ALA 369 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1n77 h ARG 370 N 1.62 0.19 0.00 0.00 2.43 -1.50 0.83 114.38 117.95 1n77 h ARG 370 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n77 h ARG 370 Cb 0.78 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1n77 h ARG 370 CO 0.02 0.13 0.00 2.48 -1.51 0.00 0.00 179.97 181.09 1n77 n TYR 371 N -5.21 0.00 0.93 2.20 4.11 -1.26 -1.67 117.16 116.25 1n77 n TYR 371 Ca 0.26 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.28 1n77 n TYR 371 Cb 0.82 -0.47 0.24 0.00 -0.00 0.00 0.00 39.34 39.93 1n77 n TYR 371 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n77 n LEU 372 N -1.47 0.52 0.00 -3.48 4.77 0.29 -4.34 117.00 113.28 1n77 n LEU 372 Ca 0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1n77 n LEU 372 Cb 0.06 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1n77 n LEU 372 CO 0.05 0.10 -0.13 0.49 -1.33 0.00 0.00 177.39 176.57 1n77 n PHE 373 N -1.59 0.00 -3.86 -1.77 3.72 -0.67 -5.03 117.46 108.25 1n77 n PHE 373 Ca 0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.36 1n77 n PHE 373 Cb 0.35 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 1n77 n PHE 373 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1n77 s THR 374 N -1.14 0.06 -1.08 4.37 -1.32 -1.05 -4.52 115.64 110.95 1n77 s THR 374 Ca 0.00 -1.13 0.24 0.00 -1.21 0.00 0.00 61.69 59.59 1n77 s THR 374 Cb 0.00 -1.69 -0.01 0.00 -1.51 0.00 0.00 72.50 69.29 1n77 s THR 374 CO 0.00 -0.26 1.34 1.21 -2.21 0.00 0.00 174.62 174.70 1n77 n GLU 375 N -0.25 0.09 -2.21 7.08 4.07 -1.26 -4.52 120.64 123.64 1n77 n GLU 375 Ca -0.09 -0.06 -0.42 0.00 -0.06 0.00 0.00 57.16 56.53 1n77 n GLU 375 Cb 0.63 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1n77 n GLU 375 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1n77 n ASP 376 N -1.40 5.94 -4.46 4.31 4.64 -1.26 -4.96 116.55 119.37 1n77 n ASP 376 Ca 0.06 -3.11 -0.26 0.00 -1.38 0.00 0.00 54.79 50.10 1n77 n ASP 376 Cb 0.34 -1.45 -0.11 0.00 -1.04 0.00 0.00 41.12 38.86 1n77 n ASP 376 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1n77 s TYR 377 N 0.02 2.36 0.60 -0.67 1.13 -1.26 -4.96 117.35 114.57 1n77 s TYR 377 Ca 0.44 -0.33 -0.13 0.00 -1.41 0.00 0.00 57.07 55.64 1n77 s TYR 377 Cb 0.12 -1.13 -0.05 0.00 -1.10 0.00 0.00 41.96 39.80 1n77 s TYR 377 CO -0.02 0.55 1.02 -1.25 -2.51 0.00 0.00 175.55 173.34 1n77 s PRO 378 N -2.89 3.61 -0.24 -3.49 0.04 -1.26 -5.04 135.00 125.74 1n77 s PRO 378 Ca 0.23 0.86 0.02 0.00 0.04 0.00 0.00 61.00 62.15 1n77 s PRO 378 Cb -0.07 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.44 1n77 s PRO 378 CO 0.12 -0.56 -0.09 0.08 0.04 0.00 0.00 177.00 176.60 1n77 s VAL 379 N -2.96 1.78 0.42 -0.36 1.01 -1.26 -4.55 120.40 114.49 1n77 s VAL 379 Ca 0.57 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1n77 s VAL 379 Cb -0.11 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 1n77 s VAL 379 CO 0.46 -0.01 1.24 -0.94 0.00 0.00 0.00 175.10 175.85 1n77 s SER 380 N 1.29 6.28 0.26 3.32 1.04 -0.87 -4.82 113.70 120.20 1n77 s SER 380 Ca -0.06 2.50 -0.02 0.00 0.48 0.00 0.00 55.95 58.86 1n77 s SER 380 Cb -0.19 -2.62 0.51 0.00 0.10 0.00 0.00 66.02 63.82 1n77 s SER 380 CO -0.06 -0.86 1.75 -0.08 0.98 0.00 0.00 173.24 174.97 1n77 h GLU 381 N 2.47 0.56 -0.88 4.02 4.81 -1.99 0.16 114.58 123.74 1n77 h GLU 381 Ca -0.49 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1n77 h GLU 381 Cb 1.25 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1n77 h GLU 381 CO 0.62 0.37 0.55 0.87 -0.73 0.00 0.00 179.01 180.69 1n77 h LYS 382 N 0.58 0.99 -0.40 1.92 1.79 -1.98 0.61 116.57 120.07 1n77 h LYS 382 Ca 0.45 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.70 1n77 h LYS 382 Cb 0.65 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1n77 h LYS 382 CO -0.37 0.65 -0.37 0.00 -1.08 0.00 0.00 179.45 178.29 1n77 h ALA 383 N 1.40 0.58 -0.30 3.86 0.00 -1.14 -2.05 119.26 121.60 1n77 h ALA 383 Ca 0.38 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1n77 h ALA 383 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n77 h ALA 383 CO -0.16 0.67 0.13 0.37 0.00 0.00 0.00 179.25 180.26 1n77 h GLN 384 N 0.78 0.44 -0.87 0.00 5.75 -0.14 0.11 115.11 121.17 1n77 h GLN 384 Ca 0.07 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1n77 h GLN 384 Cb 0.96 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.40 1n77 h GLN 384 CO 0.09 0.45 0.57 0.00 -2.65 0.00 0.00 178.83 177.29 1n77 h ARG 385 N 0.34 1.16 -0.28 1.69 3.08 -0.88 -0.77 114.38 118.71 1n77 h ARG 385 Ca 0.10 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1n77 h ARG 385 Cb 0.16 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1n77 h ARG 385 CO -0.01 0.78 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.23 1n77 h LYS 386 N 1.19 0.52 0.10 0.04 1.63 -0.95 -1.30 116.57 117.80 1n77 h LYS 386 Ca 0.32 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1n77 h LYS 386 Cb -0.12 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1n77 h LYS 386 CO -0.07 0.71 -0.05 1.25 -3.45 0.00 0.00 179.45 177.84 1n77 h LEU 387 N 0.47 -0.12 -1.46 5.20 5.85 -0.14 -2.75 115.31 122.36 1n77 h LEU 387 Ca 0.07 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1n77 h LEU 387 Cb 0.64 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1n77 h LEU 387 CO 0.05 0.25 0.26 -0.33 -0.34 0.00 0.00 178.44 178.32 1n77 h GLU 388 N -0.51 0.62 0.00 1.25 5.08 -1.09 -1.47 114.58 118.47 1n77 h GLU 388 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1n77 h GLU 388 Cb 0.41 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1n77 h GLU 388 CO 0.02 0.46 0.00 1.49 -1.00 0.00 0.00 179.01 179.98 1n77 h GLU 389 N 0.63 0.00 0.00 2.33 4.81 -1.17 -3.21 114.58 117.97 1n77 h GLU 389 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1n77 h GLU 389 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1n77 h GLU 389 CO -0.03 0.00 -0.00 0.41 -0.73 0.00 0.00 179.01 178.66 1n77 n GLY 390 N 0.23 2.66 0.26 1.92 0.00 -0.64 -4.79 105.19 104.83 1n77 n GLY 390 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1n77 n GLY 390 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n77 h LEU 391 N 0.00 0.02 -0.55 0.99 5.85 -1.32 -1.08 115.31 119.22 1n77 h LEU 391 Ca 0.00 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1n77 h LEU 391 Cb 0.53 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1n77 h LEU 391 CO 0.00 -0.02 0.29 1.55 -0.34 0.00 0.00 178.44 179.92 1n77 h PRO 392 N 0.28 0.55 -0.10 5.25 0.13 -1.86 0.11 132.00 136.35 1n77 h PRO 392 Ca 0.39 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.48 1n77 h PRO 392 Cb 0.65 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1n77 h PRO 392 CO -0.48 0.36 0.03 -0.07 -0.23 0.00 0.00 178.00 177.61 1n77 h LEU 393 N 0.57 0.14 -0.69 1.56 3.38 -1.70 -2.41 115.31 116.16 1n77 h LEU 393 Ca 0.24 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1n77 h LEU 393 Cb 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1n77 h LEU 393 CO -0.15 0.29 0.39 -0.07 0.09 0.00 0.00 178.44 178.99 1n77 h LEU 394 N -0.02 0.59 -1.62 1.67 3.38 -0.91 -0.10 115.31 118.30 1n77 h LEU 394 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n77 h LEU 394 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1n77 h LEU 394 CO -0.00 0.38 0.11 0.11 0.09 0.00 0.00 178.44 179.13 1n77 h LYS 395 N 0.72 0.35 0.00 1.13 1.57 -0.64 0.17 116.57 119.88 1n77 h LYS 395 Ca 0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1n77 h LYS 395 Cb 0.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1n77 h LYS 395 CO -0.18 0.29 -0.04 0.93 -0.57 0.00 0.00 179.45 179.88 1n77 h GLU 396 N 0.36 0.00 0.14 3.15 5.08 -0.73 -3.29 114.58 119.29 1n77 h GLU 396 Ca 0.09 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.12 1n77 h GLU 396 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1n77 h GLU 396 CO -0.01 0.00 -1.70 1.25 -1.00 0.00 0.00 179.01 177.55 1n77 h LEU 397 N 0.00 0.47 -0.60 1.33 5.85 0.44 -3.40 115.31 119.40 1n77 h LEU 397 Ca 0.00 -0.74 0.10 0.00 0.84 0.00 0.00 57.88 58.09 1n77 h LEU 397 Cb 0.97 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.73 1n77 h LEU 397 CO 0.00 1.63 -0.34 0.22 -0.34 0.00 0.00 178.44 179.60 1n77 h TYR 398 N 0.08 -0.96 -0.61 1.25 3.20 -0.81 0.19 116.97 119.32 1n77 h TYR 398 Ca -0.31 0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.75 1n77 h TYR 398 Cb 2.06 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 40.80 1n77 h TYR 398 CO 0.08 -0.39 0.41 -1.35 -1.64 0.00 0.00 178.16 175.27 1n77 h PRO 399 N -0.16 0.31 -0.31 1.82 0.11 -1.77 0.17 132.00 132.16 1n77 h PRO 399 Ca 0.23 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.17 1n77 h PRO 399 Cb 0.55 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1n77 h PRO 399 CO -0.69 0.20 -0.41 0.00 -0.21 0.00 0.00 178.00 176.90 1n77 h ARG 400 N 0.32 0.77 -0.10 1.05 3.08 -1.20 -2.86 114.38 115.43 1n77 h ARG 400 Ca 0.29 -0.40 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 1n77 h ARG 400 Cb 0.70 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1n77 h ARG 400 CO -0.07 1.03 -0.58 -0.07 -1.07 0.00 0.00 179.97 179.21 1n77 h LEU 401 N 0.62 0.36 -1.77 3.04 3.38 -0.55 -2.64 115.31 117.76 1n77 h LEU 401 Ca 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1n77 h LEU 401 Cb 0.96 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1n77 h LEU 401 CO 0.09 0.86 -0.16 -0.09 0.09 0.00 0.00 178.44 179.24 1n77 h ARG 402 N 0.25 0.00 -0.52 1.13 2.43 -0.91 -2.41 114.38 114.34 1n77 h ARG 402 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n77 h ARG 402 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1n77 h ARG 402 CO 0.09 0.16 0.00 0.00 -1.51 0.00 0.00 179.97 178.71 1n77 n ALA 403 N -2.43 2.42 -2.59 2.80 0.00 -1.09 -4.92 120.51 114.71 1n77 n ALA 403 Ca -0.02 -1.34 -0.43 0.00 0.00 0.00 0.00 53.44 51.65 1n77 n ALA 403 Cb 0.24 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1n77 n ALA 403 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1n77 s GLN 404 N -1.23 3.60 -0.07 0.00 2.00 -0.91 -4.92 119.66 118.12 1n77 s GLN 404 Ca 0.38 0.33 -0.21 0.00 -2.00 0.00 0.00 55.36 53.86 1n77 s GLN 404 Cb 0.21 -3.95 -0.17 0.00 0.80 0.00 0.00 33.01 29.90 1n77 s GLN 404 CO 0.23 -1.45 0.82 0.93 -0.50 0.00 0.00 175.29 175.33 1n77 h GLU 405 N 9.30 -0.14 -6.32 1.67 4.39 -1.91 -3.41 114.58 118.15 1n77 h GLU 405 Ca -0.24 0.01 -0.54 0.00 0.34 0.00 0.00 59.36 58.93 1n77 h GLU 405 Cb 1.06 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 1n77 h GLU 405 CO 1.12 0.35 1.12 -2.00 -1.16 0.00 0.00 179.01 178.44 1n77 s GLU 406 N -3.16 3.15 -1.08 2.33 2.56 -1.26 -4.93 118.70 116.30 1n77 s GLU 406 Ca -0.13 0.19 -0.04 0.00 0.00 0.00 0.00 54.97 54.99 1n77 s GLU 406 Cb -0.00 -4.19 0.31 0.00 2.00 0.00 0.00 34.13 32.25 1n77 s GLU 406 CO 0.49 -2.15 1.52 1.87 -0.56 0.00 0.00 175.26 176.43 1n77 n TRP 407 N 10.00 2.26 -4.46 5.30 -0.00 -1.26 -4.54 117.44 124.73 1n77 n TRP 407 Ca 0.10 -2.57 -0.23 0.00 -0.00 0.00 0.00 57.50 54.80 1n77 n TRP 407 Cb 0.50 -1.27 -0.10 0.00 -0.00 0.00 0.00 31.31 30.43 1n77 n TRP 407 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1n77 s THR 408 N -2.78 2.34 0.41 5.87 -4.23 -1.26 -4.93 115.64 111.06 1n77 s THR 408 Ca 0.32 -2.36 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1n77 s THR 408 Cb 0.06 -2.30 0.28 0.00 1.34 0.00 0.00 72.50 71.88 1n77 s THR 408 CO 0.10 -0.41 2.04 -0.33 -0.54 0.00 0.00 174.62 175.48 1n77 h GLU 409 N 2.29 0.51 0.01 3.99 5.08 -1.94 0.30 114.58 124.82 1n77 h GLU 409 Ca -0.40 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1n77 h GLU 409 Cb 1.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1n77 h GLU 409 CO 0.61 0.34 -0.00 0.00 -1.00 0.00 0.00 179.01 178.96 1n77 h ALA 410 N 1.73 -0.01 -0.36 3.43 0.00 -1.96 -2.34 119.26 119.75 1n77 h ALA 410 Ca 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1n77 h ALA 410 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1n77 h ALA 410 CO -0.05 -0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.10 1n77 h ALA 411 N 0.42 0.47 -0.75 0.00 0.00 -1.76 -2.42 119.26 115.22 1n77 h ALA 411 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n77 h ALA 411 Cb 0.56 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n77 h ALA 411 CO 0.00 0.10 0.47 -0.07 0.00 0.00 0.00 179.25 179.75 1n77 h LEU 412 N 0.43 0.89 -0.13 0.00 -0.00 -0.49 -1.09 115.31 114.92 1n77 h LEU 412 Ca 0.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1n77 h LEU 412 Cb 0.23 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1n77 h LEU 412 CO -0.01 0.67 0.04 -0.08 -0.00 0.00 0.00 178.44 179.06 1n77 h GLU 413 N 1.03 0.21 -0.67 1.13 4.81 -1.22 -1.82 114.58 118.05 1n77 h GLU 413 Ca 0.27 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1n77 h GLU 413 Cb -0.07 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 1n77 h GLU 413 CO -0.05 0.36 0.34 0.00 -0.73 0.00 0.00 179.01 178.93 1n77 h ALA 414 N 0.84 0.91 0.34 2.92 0.00 -1.02 -0.53 119.26 122.72 1n77 h ALA 414 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n77 h ALA 414 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n77 h ALA 414 CO -0.00 -0.03 -0.16 1.25 0.00 0.00 0.00 179.25 180.31 1n77 h LEU 415 N 0.60 -0.38 -0.72 0.00 5.85 -1.01 -1.76 115.31 117.89 1n77 h LEU 415 Ca 0.32 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 1n77 h LEU 415 Cb 0.29 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1n77 h LEU 415 CO -0.24 -0.26 0.27 -0.07 -0.34 0.00 0.00 178.44 177.80 1n77 h LEU 416 N -0.47 1.02 -0.34 2.25 3.38 -1.09 0.15 115.31 120.20 1n77 h LEU 416 Ca -0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1n77 h LEU 416 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1n77 h LEU 416 CO 0.08 0.93 0.03 0.03 0.09 0.00 0.00 178.44 179.59 1n77 h ARG 417 N 1.05 0.59 -0.94 1.13 3.08 -1.10 0.04 114.38 118.23 1n77 h ARG 417 Ca 0.24 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1n77 h ARG 417 Cb 0.24 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1n77 h ARG 417 CO -0.02 0.69 0.58 0.78 -1.07 0.00 0.00 179.97 180.93 1n77 h GLY 418 N 0.41 1.35 1.30 0.04 0.00 -1.11 -0.08 103.07 104.98 1n77 h GLY 418 Ca 0.10 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1n77 h GLY 418 CO 0.01 0.53 -0.03 -2.75 0.00 0.00 0.00 176.54 174.31 1n77 h PHE 419 N 1.28 0.91 -0.35 5.60 3.04 -0.75 0.16 116.94 126.84 1n77 h PHE 419 Ca 0.34 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1n77 h PHE 419 Cb -0.08 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.18 1n77 h PHE 419 CO 0.00 0.85 0.13 0.00 -2.02 0.00 0.00 178.31 177.26 1n77 h ALA 420 N 1.19 0.45 0.05 2.41 0.00 -0.03 -1.58 119.26 121.75 1n77 h ALA 420 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n77 h ALA 420 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n77 h ALA 420 CO 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.32 1n77 h ALA 421 N 0.97 -0.07 -0.73 0.00 0.00 -0.79 0.41 119.26 119.05 1n77 h ALA 421 Ca 0.11 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.05 1n77 h ALA 421 Cb 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1n77 h ALA 421 CO -0.01 -0.36 0.52 1.49 0.00 0.00 0.00 179.25 180.89 1n77 h GLU 422 N -0.42 0.08 -0.69 0.00 4.81 -0.63 1.05 114.58 118.79 1n77 h GLU 422 Ca -0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1n77 h GLU 422 Cb 0.38 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1n77 h GLU 422 CO 0.01 0.05 0.00 1.17 -0.73 0.00 0.00 179.01 179.52 1n77 n LYS 423 N -4.36 2.69 -3.70 1.92 3.00 -0.60 -4.97 118.16 112.15 1n77 n LYS 423 Ca 0.15 -2.50 -0.28 0.00 -0.00 0.00 0.00 58.31 55.68 1n77 n LYS 423 Cb 0.75 -1.57 0.02 0.00 0.00 0.00 0.00 35.03 34.23 1n77 n LYS 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n77 n GLY 424 N 1.55 -1.09 3.34 3.14 0.00 0.36 -5.00 105.19 107.49 1n77 n GLY 424 Ca 0.23 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 1n77 n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n77 s VAL 425 N -3.28 0.05 0.36 1.61 0.11 0.08 -5.02 120.40 114.31 1n77 s VAL 425 Ca 0.28 -0.43 -0.26 0.00 -2.93 0.00 0.00 61.98 58.64 1n77 s VAL 425 Cb -0.12 -1.05 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 1n77 s VAL 425 CO 0.88 -0.24 1.11 -0.54 -3.33 0.00 0.00 175.10 172.98 1n77 s LYS 426 N -3.14 4.30 0.20 1.54 -0.14 -1.26 -4.16 119.74 117.08 1n77 s LYS 426 Ca -0.01 1.74 -0.15 0.00 -1.36 0.00 0.00 55.97 56.19 1n77 s LYS 426 Cb 0.00 -2.83 0.19 0.00 -1.68 0.00 0.00 37.83 33.52 1n77 s LYS 426 CO -0.07 -0.08 1.63 1.25 -0.76 0.00 0.00 175.35 177.33 1n77 h LEU 427 N 3.03 -0.56 -1.58 3.17 5.85 -1.93 0.75 115.31 124.04 1n77 h LEU 427 Ca -0.48 0.17 0.32 0.00 0.84 0.00 0.00 57.88 58.73 1n77 h LEU 427 Cb 1.22 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 42.53 1n77 h LEU 427 CO 0.64 -0.20 0.76 1.23 -0.34 0.00 0.00 178.44 180.54 1n77 h GLY 428 N -0.01 0.82 2.00 3.75 0.00 -1.96 0.78 103.07 108.45 1n77 h GLY 428 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1n77 h GLY 428 CO -0.59 -0.13 0.00 1.46 0.00 0.00 0.00 176.54 177.28 1n77 h GLN 429 N 0.22 0.00 0.00 4.80 4.20 -1.22 0.24 115.11 123.36 1n77 h GLN 429 Ca 0.62 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.99 1n77 h GLN 429 Cb 1.93 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.65 1n77 h GLN 429 CO -0.22 0.00 -2.24 0.28 -0.67 0.00 0.00 178.83 175.98 1n77 n VAL 430 N -2.96 1.24 -0.09 -0.54 0.31 0.24 -4.46 118.33 112.08 1n77 n VAL 430 Ca -0.01 -0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 1n77 n VAL 430 Cb 0.19 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1n77 n VAL 430 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n77 h ALA 431 N -0.27 0.36 -0.14 3.52 0.00 -0.42 -2.84 119.26 119.47 1n77 h ALA 431 Ca -0.51 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1n77 h ALA 431 Cb 1.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1n77 h ALA 431 CO -0.17 0.21 0.08 0.37 0.00 0.00 0.00 179.25 179.75 1n77 h GLN 432 N 0.26 0.16 0.00 0.00 5.75 -0.73 0.10 115.11 120.65 1n77 h GLN 432 Ca 0.06 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1n77 h GLN 432 Cb 0.61 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1n77 h GLN 432 CO 0.04 0.11 -0.38 -1.00 -2.65 0.00 0.00 178.83 174.94 1n77 h PRO 433 N 0.17 0.00 -0.41 -2.39 0.13 -1.75 -2.42 132.00 125.33 1n77 h PRO 433 Ca 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.05 1n77 h PRO 433 Cb -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 1n77 h PRO 433 CO -0.02 0.38 -0.27 1.25 -0.23 0.00 0.00 178.00 179.11 1n77 h LEU 434 N 0.00 0.94 -1.08 1.56 5.85 -1.21 -2.05 115.31 119.32 1n77 h LEU 434 Ca -0.00 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1n77 h LEU 434 Cb 0.83 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1n77 h LEU 434 CO 0.05 1.16 0.62 -0.09 -0.34 0.00 0.00 178.44 179.84 1n77 h ARG 435 N 0.72 1.17 -0.64 1.25 2.43 -0.57 -0.98 114.38 117.76 1n77 h ARG 435 Ca 0.08 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1n77 h ARG 435 Cb 0.84 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1n77 h ARG 435 CO 0.07 0.77 0.15 0.00 -1.51 0.00 0.00 179.97 179.46 1n77 h ALA 436 N 1.44 0.84 -0.54 2.80 0.00 -1.06 0.10 119.26 122.85 1n77 h ALA 436 Ca 0.37 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1n77 h ALA 436 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1n77 h ALA 436 CO -0.10 0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 1n77 h ALA 437 N 1.05 0.76 0.00 0.00 0.00 -0.63 -0.04 119.26 120.40 1n77 h ALA 437 Ca 0.20 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 1n77 h ALA 437 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1n77 h ALA 437 CO 0.00 0.68 -0.99 -0.07 0.00 0.00 0.00 179.25 178.87 1n77 h LEU 438 N 0.92 0.00 0.00 0.00 3.38 -1.05 -3.40 115.31 115.15 1n77 h LEU 438 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1n77 h LEU 438 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1n77 h LEU 438 CO 0.05 0.95 -0.05 0.35 0.09 0.00 0.00 178.44 179.83 1n77 n THR 439 N -3.32 0.00 -1.20 0.22 -2.24 0.35 -4.98 114.28 103.10 1n77 n THR 439 Ca -0.01 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.23 1n77 n THR 439 Cb 0.93 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 70.11 1n77 n THR 439 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n77 n GLY 440 N 1.07 0.83 3.29 3.38 0.00 -0.03 -4.82 105.19 108.90 1n77 n GLY 440 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1n77 n GLY 440 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n77 s SER 441 N -2.46 0.11 0.00 1.61 0.15 -1.26 -2.06 113.70 109.80 1n77 s SER 441 Ca 0.00 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.69 1n77 s SER 441 Cb 0.00 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1n77 s SER 441 CO 0.00 -0.85 0.77 0.18 1.20 0.00 0.00 173.24 174.54 1n77 n LEU 442 N -0.18 1.55 -3.93 3.45 4.32 -1.26 -3.79 117.00 117.16 1n77 n LEU 442 Ca -0.07 -1.50 -0.31 0.00 -0.02 0.00 0.00 56.01 54.12 1n77 n LEU 442 Cb 0.63 -0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 42.27 1n77 n LEU 442 CO 0.26 0.38 -0.34 -1.61 -1.22 0.00 0.00 177.39 174.86 1n77 s GLU 443 N -0.53 1.30 0.32 3.23 2.02 -1.26 -5.09 118.70 118.69 1n77 s GLU 443 Ca 0.01 -1.54 -0.13 0.00 0.02 0.00 0.00 54.97 53.33 1n77 s GLU 443 Cb 0.01 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1n77 s GLU 443 CO 0.01 -0.91 0.63 -0.08 0.02 0.00 0.00 175.26 174.94 1n77 s THR 444 N 1.17 0.00 0.79 3.63 -1.32 -1.26 -5.11 115.64 113.54 1n77 s THR 444 Ca 0.08 -1.22 -0.13 0.00 -1.21 0.00 0.00 61.69 59.20 1n77 s THR 444 Cb -0.19 -2.49 0.19 0.00 -1.51 0.00 0.00 72.50 68.51 1n77 s THR 444 CO -0.13 0.00 0.94 -0.81 -2.21 0.00 0.00 174.62 172.41 1n77 n PRO 445 N -0.49 -1.51 -1.53 7.08 -0.04 -1.26 -4.92 135.00 132.34 1n77 n PRO 445 Ca -0.04 -1.46 -0.50 0.00 -0.04 0.00 0.00 63.50 61.46 1n77 n PRO 445 Cb 0.61 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.93 1n77 n PRO 445 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n77 n GLY 446 N -1.96 -0.42 0.22 0.55 0.00 -1.26 -4.82 105.19 97.49 1n77 n GLY 446 Ca 0.12 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.59 1n77 n GLY 446 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n77 h LEU 447 N 2.67 0.58 -0.90 0.99 5.85 -1.96 -1.65 115.31 120.88 1n77 h LEU 447 Ca -0.41 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1n77 h LEU 447 Cb 1.38 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1n77 h LEU 447 CO 0.65 0.42 0.28 -0.26 -0.34 0.00 0.00 178.44 179.20 1n77 h PHE 448 N 0.69 1.10 0.00 1.25 0.04 -1.92 0.16 116.94 118.26 1n77 h PHE 448 Ca 0.20 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.76 1n77 h PHE 448 Cb -0.06 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.74 1n77 h PHE 448 CO -0.04 0.84 -0.61 1.05 -0.60 0.00 0.00 178.31 178.95 1n77 h GLU 449 N 1.06 0.00 -0.17 1.51 9.09 -1.89 -1.73 114.58 122.44 1n77 h GLU 449 Ca 0.24 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.47 1n77 h GLU 449 Cb 0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1n77 h GLU 449 CO -0.02 0.61 -0.63 0.82 0.05 0.00 0.00 179.01 179.84 1n77 h ILE 450 N 0.00 1.32 -0.16 -1.06 1.08 -0.98 -1.47 117.51 116.24 1n77 h ILE 450 Ca -0.01 -1.90 -0.19 0.00 -0.39 0.00 0.00 64.86 62.37 1n77 h ILE 450 Cb 1.44 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 1n77 h ILE 450 CO 0.08 0.59 -0.67 0.25 -0.69 0.00 0.00 178.15 177.71 1n77 h LEU 451 N 0.45 0.74 -0.01 1.44 5.85 -0.64 -3.33 115.31 119.81 1n77 h LEU 451 Ca -0.01 -0.45 -0.20 0.00 0.84 0.00 0.00 57.88 58.06 1n77 h LEU 451 Cb 1.21 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 42.04 1n77 h LEU 451 CO 0.12 1.21 -0.77 0.00 -0.34 0.00 0.00 178.44 178.67 1n77 h ALA 452 N 0.78 0.11 -0.98 1.25 0.00 -1.29 -3.37 119.26 115.76 1n77 h ALA 452 Ca -0.02 -0.61 0.23 0.00 0.00 0.00 0.00 54.91 54.50 1n77 h ALA 452 Cb 1.27 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 1n77 h ALA 452 CO 0.13 0.49 -0.13 -0.11 0.00 0.00 0.00 179.25 179.63 1n77 n LEU 453 N -4.07 -0.25 0.13 0.00 7.94 -0.56 -1.67 117.00 118.53 1n77 n LEU 453 Ca -0.10 1.68 -0.01 0.00 -1.11 0.00 0.00 56.01 56.47 1n77 n LEU 453 Cb 0.75 -0.55 0.14 0.00 0.53 0.00 0.00 43.42 44.29 1n77 n LEU 453 CO 0.50 -1.65 0.47 -0.07 -1.11 0.00 0.00 177.39 175.53 1n77 h LEU 454 N 0.00 0.00 0.00 -1.96 -0.00 -1.74 -3.50 115.31 108.11 1n77 h LEU 454 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.41 1n77 h LEU 454 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1n77 h LEU 454 CO -0.97 0.63 0.00 0.61 -0.00 0.00 0.00 178.44 178.71 1n77 n GLY 455 N 0.52 2.34 0.41 0.83 0.00 -0.67 -4.47 105.19 104.15 1n77 n GLY 455 Ca -0.01 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 1n77 n GLY 455 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n77 h LYS 456 N 0.00 -0.71 -0.32 1.61 3.64 -1.88 -1.96 116.57 116.95 1n77 h LYS 456 Ca 0.00 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n77 h LYS 456 Cb 0.00 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1n77 h LYS 456 CO 0.00 -0.47 0.19 0.93 -2.27 0.00 0.00 179.45 177.83 1n77 h GLU 457 N -0.73 0.44 -0.82 1.90 4.39 -1.99 0.66 114.58 118.42 1n77 h GLU 457 Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1n77 h GLU 457 Cb 0.70 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1n77 h GLU 457 CO -0.15 0.35 0.46 -0.09 -1.16 0.00 0.00 179.01 178.42 1n77 h ARG 458 N 0.41 1.13 -0.25 2.33 2.43 -1.77 -0.95 114.38 117.71 1n77 h ARG 458 Ca 0.12 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1n77 h ARG 458 Cb 0.02 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1n77 h ARG 458 CO -0.02 0.82 -0.14 0.00 -1.51 0.00 0.00 179.97 179.12 1n77 h ALA 459 N 1.37 0.35 -0.16 2.80 0.00 -0.97 -2.74 119.26 119.92 1n77 h ALA 459 Ca 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n77 h ALA 459 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1n77 h ALA 459 CO -0.05 0.23 0.09 -0.07 0.00 0.00 0.00 179.25 179.45 1n77 h LEU 460 N 0.25 0.20 -0.00 0.00 3.38 -0.58 -0.90 115.31 117.65 1n77 h LEU 460 Ca 0.05 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1n77 h LEU 460 Cb 0.65 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1n77 h LEU 460 CO 0.04 0.22 -0.34 0.03 0.09 0.00 0.00 178.44 178.48 1n77 h ARG 461 N 0.16 -0.48 -0.70 1.13 2.47 -1.19 0.26 114.38 116.03 1n77 h ARG 461 Ca 0.06 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1n77 h ARG 461 Cb 0.07 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1n77 h ARG 461 CO -0.01 -0.32 0.46 -0.09 0.56 0.00 0.00 179.97 180.58 1n77 h ARG 462 N -0.49 0.88 -0.18 0.04 2.43 -1.41 -1.24 114.38 114.40 1n77 h ARG 462 Ca 0.06 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1n77 h ARG 462 Cb 0.58 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1n77 h ARG 462 CO -0.28 0.58 -0.35 1.25 -1.51 0.00 0.00 179.97 179.67 1n77 h LEU 463 N 0.90 0.39 -1.12 3.80 6.46 -0.19 -2.78 115.31 122.78 1n77 h LEU 463 Ca 0.27 -0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 1n77 h LEU 463 Cb -0.03 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1n77 h LEU 463 CO -0.07 0.71 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.76 1n77 h GLU 464 N 0.32 0.11 -0.08 1.25 5.08 0.69 -2.78 114.58 119.18 1n77 h GLU 464 Ca 0.04 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1n77 h GLU 464 Cb 0.77 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1n77 h GLU 464 CO 0.06 0.48 -0.36 0.00 -1.00 0.00 0.00 179.01 178.19 1n77 h ARG 465 N 0.10 0.16 0.00 2.33 3.08 -1.17 0.30 114.38 119.18 1n77 h ARG 465 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1n77 h ARG 465 Cb 0.72 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1n77 h ARG 465 CO 0.05 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 1n77 h ALA 466 N 1.49 1.00 0.00 0.04 0.00 -1.47 -3.21 119.26 117.12 1n77 h ALA 466 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n77 h ALA 466 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1n77 h ALA 466 CO 0.05 0.00 -1.74 1.28 0.00 0.00 0.00 179.25 178.84 1n77 n LEU 467 N -3.04 0.25 0.00 0.00 4.77 -1.02 -5.03 117.00 112.92 1n77 n LEU 467 Ca 0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1n77 n LEU 467 Cb 0.50 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1n77 n LEU 467 CO 0.33 0.05 0.25 0.00 -1.33 0.00 0.00 177.39 176.69