#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n GLU 2 N 0.00 0.19 -3.80 2.12 1.02 -1.26 -3.18 120.64 115.73 3i1t n GLU 2 Ca 0.00 -1.49 -0.30 0.00 -0.02 0.00 0.00 57.16 55.35 3i1t n GLU 2 Cb 0.00 1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 32.51 3i1t n GLU 2 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i1t s LEU 3 N 0.00 3.24 0.21 -4.62 2.96 -1.26 -4.74 118.68 114.48 3i1t s LEU 3 Ca 0.18 -2.59 -0.31 0.00 -0.22 0.00 0.00 54.13 51.18 3i1t s LEU 3 Cb 0.01 -1.23 -0.11 0.00 0.50 0.00 0.00 46.19 45.36 3i1t s LEU 3 CO 0.13 -0.28 1.65 -0.69 -1.32 0.00 0.00 176.35 175.83 3i1t s VAL 4 N 0.35 2.21 0.00 1.68 1.01 -1.26 -2.41 120.40 121.99 3i1t s VAL 4 Ca 0.16 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3i1t s VAL 4 Cb -0.24 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3i1t s VAL 4 CO -0.03 0.02 0.00 0.18 0.00 0.00 0.00 175.10 175.27 3i1t n LEU 5 N 3.59 0.00 0.00 3.92 4.77 -1.26 -4.54 117.00 123.48 3i1t n LEU 5 Ca 0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.09 3i1t n LEU 5 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3i1t n LEU 5 CO 0.63 -0.41 0.50 0.50 -1.33 0.00 0.00 177.39 177.28 3i1t h LYS 6 N 0.00 -0.10 0.00 3.23 3.64 -1.69 -3.43 116.57 118.21 3i1t h LYS 6 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i1t h LYS 6 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3i1t h LYS 6 CO 0.00 -0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 176.71 3i1t n ASP 7 N -3.07 0.00 0.16 4.20 5.68 -1.26 -4.89 116.55 117.37 3i1t n ASP 7 Ca -0.01 -1.00 0.13 0.00 -0.50 0.00 0.00 54.79 53.41 3i1t n ASP 7 Cb 0.07 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.47 3i1t n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i1t h ALA 8 N 0.00 1.00 0.00 2.12 0.00 -1.98 -3.46 119.26 116.94 3i1t h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1t h ALA 8 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3i1t h ALA 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.19 3i1t n GLN 9 N -2.57 -0.63 0.20 0.00 -0.06 -1.26 -4.76 117.38 108.29 3i1t n GLN 9 Ca 0.04 0.16 0.14 0.00 -2.00 0.00 0.00 57.00 55.33 3i1t n GLN 9 Cb 0.38 -4.58 0.70 0.00 -4.06 0.00 0.00 30.24 22.68 3i1t n GLN 9 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3i1t h SER 10 N 0.00 0.00 -0.64 1.69 0.02 -1.94 -3.45 113.55 109.23 3i1t h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i1t h SER 10 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3i1t h SER 10 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3i1t n ALA 11 N -1.86 0.00 -0.23 3.77 0.00 -1.26 -4.90 120.51 116.03 3i1t n ALA 11 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1t n ALA 11 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3i1t n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1t n LEU 12 N 0.00 0.00 -1.62 0.00 7.94 -1.01 -4.74 117.00 117.56 3i1t n LEU 12 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i1t n LEU 12 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i1t n LEU 12 CO 0.00 0.00 -0.37 0.41 -1.11 0.00 0.00 177.39 176.32 3i1t n THR 13 N 0.00 -8.80 -4.60 1.96 -1.04 -1.26 -4.83 114.28 95.70 3i1t n THR 13 Ca 0.00 2.47 -0.22 0.00 -2.04 0.00 0.00 64.05 64.25 3i1t n THR 13 Cb 0.00 -4.11 -0.15 0.00 -1.82 0.00 0.00 70.33 64.24 3i1t n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1t s VAL 14 N -0.90 1.07 0.29 12.58 -7.23 -1.19 -4.79 120.40 120.24 3i1t s VAL 14 Ca 0.00 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 3i1t s VAL 14 Cb 0.00 -0.92 -0.12 0.00 0.56 0.00 0.00 36.38 35.90 3i1t s VAL 14 CO 0.00 0.31 1.48 -1.54 -0.31 0.00 0.00 175.10 175.04 3i1t n SER 15 N 3.03 3.34 0.09 4.85 3.41 -1.26 -4.62 113.62 122.47 3i1t n SER 15 Ca -0.17 1.16 0.06 0.00 -0.26 0.00 0.00 58.87 59.67 3i1t n SER 15 Cb 0.54 -1.53 0.32 0.00 -0.26 0.00 0.00 64.21 63.29 3i1t n SER 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i1t n GLU 16 N 1.67 0.08 0.02 4.33 4.07 -1.26 -1.88 120.64 127.67 3i1t n GLU 16 Ca 0.08 0.57 -0.02 0.00 -0.06 0.00 0.00 57.16 57.74 3i1t n GLU 16 Cb 0.35 -1.75 -0.01 0.00 -0.06 0.00 0.00 31.44 29.97 3i1t n GLU 16 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3i1t h THR 17 N 0.00 0.00 -0.25 6.31 1.35 -1.88 -3.36 112.91 115.08 3i1t h THR 17 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3i1t h THR 17 Cb 0.01 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 3i1t h THR 17 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3i1t n THR 18 N -3.44 0.78 -3.26 6.82 -2.24 -1.17 -4.54 114.28 107.23 3i1t n THR 18 Ca -0.01 -0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 3i1t n THR 18 Cb 0.04 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 3i1t n THR 18 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3i1t s PHE 19 N -1.65 -1.24 0.00 4.78 0.08 -0.79 -4.80 117.98 114.36 3i1t s PHE 19 Ca 0.20 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.03 3i1t s PHE 19 Cb 0.14 0.08 0.00 0.00 -0.57 0.00 0.00 43.02 42.66 3i1t s PHE 19 CO 0.09 -0.94 0.00 0.41 -0.10 0.00 0.00 175.22 174.68 3i1t n GLY 20 N 5.38 0.63 3.42 4.36 0.00 -1.26 -4.14 105.19 113.58 3i1t n GLY 20 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 3i1t n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1t s ARG 21 N -0.40 1.34 0.20 1.61 1.70 -1.26 -4.84 118.95 117.30 3i1t s ARG 21 Ca 0.00 -1.29 -0.03 0.00 -0.47 0.00 0.00 55.73 53.93 3i1t s ARG 21 Cb 0.00 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 34.83 3i1t s ARG 21 CO 0.00 -0.51 0.13 -0.25 -1.08 0.00 0.00 175.30 173.59 3i1t n ASP 22 N -0.30 -1.94 -3.79 -2.89 8.00 -1.26 -4.76 116.55 109.61 3i1t n ASP 22 Ca -0.03 -0.28 -0.29 0.00 0.71 0.00 0.00 54.79 54.91 3i1t n ASP 22 Cb 0.63 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.47 3i1t n ASP 22 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i1t s PHE 23 N -1.20 2.77 -1.04 1.24 5.36 -1.26 -4.75 117.98 119.10 3i1t s PHE 23 Ca 0.10 -2.95 -0.25 0.00 -0.96 0.00 0.00 56.93 52.86 3i1t s PHE 23 Cb -0.01 -2.27 -0.13 0.00 -0.34 0.00 0.00 43.02 40.26 3i1t s PHE 23 CO 0.08 -0.68 2.07 -0.80 -1.46 0.00 0.00 175.22 174.43 3i1t s ASN 24 N -0.61 4.37 0.29 6.13 0.01 -1.26 -4.78 114.94 119.09 3i1t s ASN 24 Ca 0.23 -0.98 0.03 0.00 -0.71 0.00 0.00 52.86 51.43 3i1t s ASN 24 Cb -0.12 -2.58 0.66 0.00 0.41 0.00 0.00 41.25 39.62 3i1t s ASN 24 CO -0.10 -3.67 1.78 -0.08 -1.51 0.00 0.00 177.10 173.52 3i1t h GLU 25 N 11.09 0.75 -0.28 -0.60 4.81 -1.99 0.33 114.58 128.69 3i1t h GLU 25 Ca 0.10 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 3i1t h GLU 25 Cb 0.98 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3i1t h GLU 25 CO 1.12 0.50 -0.47 0.00 -0.73 0.00 0.00 179.01 179.43 3i1t h ALA 26 N 1.61 0.63 -0.27 2.92 0.00 -1.99 -1.73 119.26 120.43 3i1t h ALA 26 Ca 0.54 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i1t h ALA 26 Cb 0.77 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i1t h ALA 26 CO -0.36 0.68 -0.23 1.25 0.00 0.00 0.00 179.25 180.59 3i1t h LEU 27 N 0.60 0.67 -0.54 0.00 5.85 -1.41 -0.98 115.31 119.50 3i1t h LEU 27 Ca 0.03 -0.46 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 3i1t h LEU 27 Cb 1.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3i1t h LEU 27 CO 0.10 0.99 -0.72 -0.37 -0.34 0.00 0.00 178.44 178.10 3i1t h VAL 28 N 0.36 1.49 -0.45 1.05 -1.51 -1.09 -3.04 116.25 113.05 3i1t h VAL 28 Ca 0.05 -2.39 -0.14 0.00 -1.23 0.00 0.00 66.70 62.99 3i1t h VAL 28 Cb 0.79 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 3i1t h VAL 28 CO 0.06 0.69 -0.27 -0.74 -1.23 0.00 0.00 177.57 176.08 3i1t h HIS 29 N 0.05 1.15 0.00 5.19 -0.00 -1.23 -2.69 115.15 117.61 3i1t h HIS 29 Ca -0.01 -0.30 -0.00 0.00 -0.00 0.00 0.00 60.37 60.05 3i1t h HIS 29 Cb 1.27 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.43 3i1t h HIS 29 CO 0.01 1.13 -0.01 0.37 -0.00 0.00 0.00 177.93 179.43 3i1t h GLN 30 N 0.83 0.00 -0.01 5.26 4.15 -1.06 0.10 115.11 124.39 3i1t h GLN 30 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3i1t h GLN 30 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3i1t h GLN 30 CO 0.08 0.01 -0.57 1.33 -1.93 0.00 0.00 178.83 177.75 3i1t n VAL 31 N -3.31 0.00 -0.08 2.39 0.24 -1.10 -3.94 118.33 112.53 3i1t n VAL 31 Ca -0.03 -0.22 -0.07 0.00 -2.04 0.00 0.00 64.34 61.99 3i1t n VAL 31 Cb 0.11 1.10 -0.14 0.00 -1.47 0.00 0.00 33.84 33.44 3i1t n VAL 31 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1t n VAL 32 N -0.75 1.12 0.08 3.34 0.24 0.28 -2.90 118.33 119.72 3i1t n VAL 32 Ca 0.05 -0.72 0.05 0.00 -2.04 0.00 0.00 64.34 61.68 3i1t n VAL 32 Cb 0.31 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.16 3i1t n VAL 32 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i1t h VAL 33 N 0.00 0.33 0.00 3.34 2.07 -1.60 -2.39 116.25 117.99 3i1t h VAL 33 Ca -0.44 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 3i1t h VAL 33 Cb 1.99 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 3i1t h VAL 33 CO 0.02 0.19 -0.16 0.00 0.02 0.00 0.00 177.57 177.64 3i1t h ALA 34 N 1.67 1.00 0.11 1.67 0.00 -1.72 -2.83 119.26 119.17 3i1t h ALA 34 Ca -0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 3i1t h ALA 34 Cb 1.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i1t h ALA 34 CO 0.03 0.20 -1.31 -0.92 0.00 0.00 0.00 179.25 177.25 3i1t h TYR 35 N 0.00 0.44 -0.21 0.00 5.03 -1.39 -2.97 116.97 117.87 3i1t h TYR 35 Ca -0.00 -0.32 0.06 0.00 2.58 0.00 0.00 58.73 61.05 3i1t h TYR 35 Cb 0.72 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 3i1t h TYR 35 CO 0.00 1.28 0.25 0.00 -1.32 0.00 0.00 178.16 178.37 3i1t h ALA 36 N 0.60 1.82 -2.11 1.82 0.00 -1.19 -3.35 119.26 116.85 3i1t h ALA 36 Ca -0.16 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.30 3i1t h ALA 36 Cb 1.97 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 3i1t h ALA 36 CO 0.19 -0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.42 3i1t s ALA 37 N -4.59 3.02 0.00 0.00 0.00 -1.12 -1.21 121.76 117.85 3i1t s ALA 37 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3i1t s ALA 37 Cb 0.15 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3i1t s ALA 37 CO 0.53 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.74 3i1t n GLY 38 N -0.66 2.01 0.22 0.00 0.00 -1.26 -4.35 105.19 101.14 3i1t n GLY 38 Ca 0.07 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.88 3i1t n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t h ALA 39 N 0.00 1.12 -1.62 4.61 0.00 -1.69 -3.38 119.26 118.31 3i1t h ALA 39 Ca 0.00 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 3i1t h ALA 39 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3i1t h ALA 39 CO 0.00 0.32 0.81 0.50 0.00 0.00 0.00 179.25 180.87 3i1t s ARG 40 N -3.85 3.33 0.00 0.00 6.06 -0.35 -4.98 118.95 119.17 3i1t s ARG 40 Ca -0.01 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.06 3i1t s ARG 40 Cb 0.12 -4.09 0.00 0.00 0.06 0.00 0.00 34.95 31.04 3i1t s ARG 40 CO 0.64 -1.74 0.00 0.94 -2.50 0.00 0.00 175.30 172.65 3i1t n GLN 41 N 8.23 0.00 0.00 5.12 7.27 -1.26 -4.44 117.38 132.30 3i1t n GLN 41 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3i1t n GLN 41 Cb 0.48 -0.15 0.00 0.00 2.41 0.00 0.00 30.24 32.98 3i1t n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i1t n GLY 42 N 1.16 -0.18 3.49 1.69 0.00 -1.26 -4.39 105.19 105.71 3i1t n GLY 42 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3i1t n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1t n THR 43 N 0.00 -6.52 -3.08 2.61 -2.24 -1.25 -4.75 114.28 99.04 3i1t n THR 43 Ca 0.00 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 3i1t n THR 43 Cb 0.00 -4.78 -0.06 0.00 -2.10 0.00 0.00 70.33 63.38 3i1t n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1t s ARG 44 N -4.45 4.05 0.00 -0.78 1.81 -1.26 -4.90 118.95 113.42 3i1t s ARG 44 Ca 0.11 0.75 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 3i1t s ARG 44 Cb -0.04 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 32.06 3i1t s ARG 44 CO 0.83 0.13 0.00 0.00 -0.68 0.00 0.00 175.30 175.58 3i1t n ALA 45 N -0.39 0.00 0.00 2.13 0.00 -1.26 -3.56 120.51 117.43 3i1t n ALA 45 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1t n ALA 45 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i1t n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1t n GLN 46 N 0.00 0.00 -3.70 0.00 1.13 -1.26 -4.50 117.38 109.05 3i1t n GLN 46 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3i1t n GLN 46 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 3i1t n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i1t s LYS 47 N -3.60 0.46 0.68 -1.09 1.02 -1.26 -4.91 119.74 111.04 3i1t s LYS 47 Ca 0.00 0.77 -0.11 0.00 0.02 0.00 0.00 55.97 56.64 3i1t s LYS 47 Cb 0.00 0.09 0.16 0.00 -0.52 0.00 0.00 37.83 37.56 3i1t s LYS 47 CO 0.00 -0.12 0.85 0.25 -0.92 0.00 0.00 175.35 175.40 3i1t n THR 48 N 3.76 0.00 0.93 2.17 -2.24 -1.26 -2.59 114.28 115.05 3i1t n THR 48 Ca -0.20 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3i1t n THR 48 Cb 0.56 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 3i1t n THR 48 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3i1t n ARG 49 N -3.02 0.66 -0.02 -0.78 1.85 -1.26 -2.04 116.66 112.06 3i1t n ARG 49 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.94 3i1t n ARG 49 Cb 0.38 -1.20 -0.02 0.00 -1.05 0.00 0.00 32.46 30.58 3i1t n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1t n ALA 50 N -0.10 1.93 0.07 2.89 0.00 -1.26 -4.62 120.51 119.41 3i1t n ALA 50 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 3i1t n ALA 50 Cb 0.10 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 3i1t n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1t h GLU 51 N 0.00 0.00 -6.55 0.00 4.39 -1.76 -3.45 114.58 107.21 3i1t h GLU 51 Ca -0.08 -0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.03 3i1t h GLU 51 Cb 1.16 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.89 3i1t h GLU 51 CO -0.00 0.96 0.56 0.28 -1.16 0.00 0.00 179.01 179.65 3i1t n VAL 52 N -3.40 0.94 -4.33 3.13 0.31 -0.86 -4.95 118.33 109.17 3i1t n VAL 52 Ca -0.00 -0.23 -0.28 0.00 -0.01 0.00 0.00 64.34 63.81 3i1t n VAL 52 Cb 0.91 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 32.40 3i1t n VAL 52 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i1t s THR 53 N -0.08 1.68 0.00 2.52 -1.32 -1.26 -4.84 115.64 112.35 3i1t s THR 53 Ca 0.69 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 3i1t s THR 53 Cb -0.68 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 3i1t s THR 53 CO 0.50 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 3i1t n GLY 54 N -1.37 2.92 0.00 6.08 0.00 -1.26 -5.05 105.19 106.51 3i1t n GLY 54 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i1t n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1t n SER 55 N 0.00 0.00 -0.61 1.61 3.41 -1.26 -5.02 113.62 111.75 3i1t n SER 55 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3i1t n SER 55 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3i1t n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1t n GLY 56 N 0.00 -0.03 3.74 5.00 0.00 -1.26 -5.11 105.19 107.53 3i1t n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1t n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 57 N 0.00 4.49 -0.35 1.61 -0.14 -1.26 -4.99 119.74 119.10 3i1t s LYS 57 Ca 0.00 1.91 0.02 0.00 -1.36 0.00 0.00 55.97 56.54 3i1t s LYS 57 Cb 0.00 -3.22 0.10 0.00 -1.68 0.00 0.00 37.83 33.03 3i1t s LYS 57 CO 0.00 -0.08 0.06 0.15 -0.76 0.00 0.00 175.35 174.73 3i1t s LYS 58 N -0.46 1.68 0.38 1.68 3.01 -1.26 -3.58 119.74 121.19 3i1t s LYS 58 Ca 0.52 -1.80 -0.26 0.00 -1.01 0.00 0.00 55.97 53.42 3i1t s LYS 58 Cb -0.33 -3.26 -0.09 0.00 -1.01 0.00 0.00 37.83 33.14 3i1t s LYS 58 CO 0.38 -0.92 1.19 -2.14 0.51 0.00 0.00 175.35 174.37 3i1t s PRO 59 N 0.98 4.13 0.00 -1.68 0.02 -1.26 -4.94 135.00 132.25 3i1t s PRO 59 Ca 0.08 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3i1t s PRO 59 Cb -0.20 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.54 3i1t s PRO 59 CO -0.07 -0.27 0.00 0.91 -0.33 0.00 0.00 177.00 177.24 3i1t n TRP 60 N 0.27 0.00 -0.43 6.54 7.02 -1.26 -4.65 117.44 124.92 3i1t n TRP 60 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 3i1t n TRP 60 Cb 0.45 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.34 3i1t n TRP 60 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 3i1t n ARG 61 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -4.97 116.66 109.44 3i1t n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1t n ARG 61 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 30.55 3i1t n ARG 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i1t n GLN 62 N -2.00 0.00 -1.54 -0.14 7.27 -1.26 -4.07 117.38 115.63 3i1t n GLN 62 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 3i1t n GLN 62 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 3i1t n GLN 62 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3i1t n LYS 63 N 0.00 0.95 0.00 3.69 4.76 -1.26 -2.43 118.16 123.87 3i1t n LYS 63 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3i1t n LYS 63 Cb 0.00 -3.19 0.00 0.00 -1.84 0.00 0.00 35.03 30.00 3i1t n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1t n GLY 64 N 6.07 -0.54 3.69 0.72 0.00 -1.26 -5.14 105.19 108.73 3i1t n GLY 64 Ca 0.40 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 3i1t n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1t s THR 65 N -0.41 2.20 0.04 2.61 -1.32 -1.02 -5.06 115.64 112.69 3i1t s THR 65 Ca 0.00 -1.81 -0.32 0.00 -1.21 0.00 0.00 61.69 58.35 3i1t s THR 65 Cb 0.00 -3.00 -0.17 0.00 -1.51 0.00 0.00 72.50 67.82 3i1t s THR 65 CO 0.00 -0.00 1.36 1.23 -2.21 0.00 0.00 174.62 175.00 3i1t h GLY 66 N 1.56 -1.19 -2.69 6.08 0.00 -1.98 -3.45 103.07 101.39 3i1t h GLY 66 Ca -0.43 0.44 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 3i1t h GLY 66 CO 0.74 -0.43 -0.70 -0.96 0.00 0.00 0.00 176.54 175.19 3i1t n ARG 67 N -5.35 0.13 -3.31 4.80 1.85 -1.26 -4.90 116.66 108.62 3i1t n ARG 67 Ca -0.14 0.08 -0.45 0.00 -1.00 0.00 0.00 57.85 56.34 3i1t n ARG 67 Cb 0.45 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 30.16 3i1t n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1t s ALA 68 N -2.02 3.55 0.00 2.89 0.00 -1.26 -4.92 121.76 120.01 3i1t s ALA 68 Ca 0.60 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 50.35 3i1t s ALA 68 Cb -0.32 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3i1t s ALA 68 CO 0.64 -1.92 0.00 0.54 0.00 0.00 0.00 175.76 175.02 3i1t n ARG 69 N 5.46 0.00 -1.75 0.00 3.00 -1.26 -4.76 116.66 117.35 3i1t n ARG 69 Ca -0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.72 3i1t n ARG 69 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 3i1t n ARG 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3i1t n SER 70 N 2.79 -2.04 -0.09 0.55 2.88 -1.26 -4.65 113.62 111.80 3i1t n SER 70 Ca 0.00 -0.01 -0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3i1t n SER 70 Cb 0.00 -0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 3i1t n SER 70 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i1t h GLY 71 N -0.02 -0.24 -4.83 0.46 0.00 -1.85 -3.37 103.07 93.21 3i1t h GLY 71 Ca -0.01 0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.54 3i1t h GLY 71 CO 0.01 -0.21 -0.68 -0.45 0.00 0.00 0.00 176.54 175.21 3i1t s SER 72 N -5.05 0.24 0.00 0.19 0.15 -1.26 -4.65 113.70 103.33 3i1t s SER 72 Ca -0.15 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 55.99 3i1t s SER 72 Cb 0.13 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 3i1t s SER 72 CO 0.68 -0.33 0.30 0.00 1.20 0.00 0.00 173.24 175.09 3i1t n ILE 73 N 1.48 0.00 -0.28 6.45 0.13 -1.24 -3.34 119.36 122.56 3i1t n ILE 73 Ca -0.23 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 3i1t n ILE 73 Cb 0.55 -0.30 0.00 0.00 -0.84 0.00 0.00 39.64 39.05 3i1t n ILE 73 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3i1t n LYS 74 N 0.20 0.92 -1.67 9.51 5.02 -1.26 -4.99 118.16 125.90 3i1t n LYS 74 Ca 0.00 -0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.87 3i1t n LYS 74 Cb 0.15 -0.30 0.06 0.00 -0.02 0.00 0.00 35.03 34.92 3i1t n LYS 74 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i1t n SER 75 N -0.14 1.38 0.29 4.39 3.41 -1.21 -4.19 113.62 117.54 3i1t n SER 75 Ca 0.00 0.83 0.16 0.00 -0.26 0.00 0.00 58.87 59.59 3i1t n SER 75 Cb 0.07 -1.46 0.92 0.00 -0.26 0.00 0.00 64.21 63.48 3i1t n SER 75 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3i1t h PRO 76 N 0.56 0.00 0.00 4.33 0.11 -1.86 0.56 132.00 135.70 3i1t h PRO 76 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i1t h PRO 76 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3i1t h PRO 76 CO 0.52 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.42 3i1t n ILE 77 N -3.82 0.05 -3.40 4.15 2.08 -1.26 -4.79 119.36 112.38 3i1t n ILE 77 Ca -0.03 0.01 -0.21 0.00 0.56 0.00 0.00 62.75 63.09 3i1t n ILE 77 Cb 0.11 -0.59 -0.00 0.00 -0.75 0.00 0.00 39.64 38.40 3i1t n ILE 77 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3i1t s TRP 78 N -2.15 3.22 0.00 1.39 -0.11 0.19 -5.11 118.94 116.37 3i1t s TRP 78 Ca 0.36 -0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.67 3i1t s TRP 78 Cb 0.18 -2.02 0.00 0.00 -1.50 0.00 0.00 33.47 30.14 3i1t s TRP 78 CO 0.33 -0.04 0.00 -2.13 -4.62 0.00 0.00 176.95 170.50 3i1t n ARG 79 N -1.75 2.86 -0.61 5.86 0.63 -1.26 -4.78 116.66 117.60 3i1t n ARG 79 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3i1t n ARG 79 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 3i1t n ARG 79 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1t n SER 80 N 0.00 -0.35 -1.14 6.15 7.64 -1.26 -4.60 113.62 120.06 3i1t n SER 80 Ca 0.00 0.02 0.12 0.00 1.01 0.00 0.00 58.87 60.02 3i1t n SER 80 Cb 0.00 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 3i1t n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1t n GLY 81 N 0.58 -2.21 0.00 0.23 0.00 -1.26 -4.85 105.19 97.68 3i1t n GLY 81 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3i1t n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 82 N -3.90 0.22 3.74 -0.02 0.00 -1.26 -4.71 105.19 99.26 3i1t n GLY 82 Ca -0.06 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 3i1t n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1t s VAL 83 N 0.00 3.91 -0.04 1.61 1.01 -1.07 -3.79 120.40 122.04 3i1t s VAL 83 Ca 0.00 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 63.39 3i1t s VAL 83 Cb 0.00 -4.05 -0.18 0.00 0.00 0.00 0.00 36.38 32.15 3i1t s VAL 83 CO 0.00 0.28 1.03 0.74 0.00 0.00 0.00 175.10 177.16 3i1t h THR 84 N 3.74 1.03 -0.67 3.92 2.02 -1.94 -3.35 112.91 117.64 3i1t h THR 84 Ca -0.44 -1.11 -0.49 0.00 0.77 0.00 0.00 66.41 65.13 3i1t h THR 84 Cb 1.21 1.67 -0.40 0.00 -1.74 0.00 0.00 68.15 68.89 3i1t h THR 84 CO 0.72 0.25 -0.83 0.49 0.37 0.00 0.00 175.52 176.52 3i1t n PHE 85 N -4.92 2.45 -1.30 3.16 3.72 -1.26 -4.88 117.46 114.44 3i1t n PHE 85 Ca -0.08 -2.16 -0.50 0.00 -0.05 0.00 0.00 57.45 54.65 3i1t n PHE 85 Cb 0.27 -0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 3i1t n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1t n ALA 86 N -0.72 -1.05 -1.82 4.37 0.00 -1.26 -4.86 120.51 115.19 3i1t n ALA 86 Ca 0.39 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.81 3i1t n ALA 86 Cb 0.94 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 3i1t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t s ALA 87 N 2.18 3.37 0.88 0.00 0.00 -1.26 -4.84 121.76 122.10 3i1t s ALA 87 Ca 0.78 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 3i1t s ALA 87 Cb -1.11 -3.14 0.18 0.00 0.00 0.00 0.00 23.12 19.05 3i1t s ALA 87 CO 0.61 0.23 1.21 1.03 0.00 0.00 0.00 175.76 178.84 3i1t s ARG 88 N -1.17 0.95 0.24 0.00 1.81 -1.26 -4.37 118.95 115.14 3i1t s ARG 88 Ca 0.39 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 3i1t s ARG 88 Cb -0.25 -2.01 -0.15 0.00 -0.45 0.00 0.00 34.95 32.08 3i1t s ARG 88 CO 0.30 -2.11 0.97 -2.30 -0.68 0.00 0.00 175.30 171.48 3i1t n PRO 89 N -3.46 1.05 -4.98 3.54 -0.02 -1.23 -4.26 135.00 125.64 3i1t n PRO 89 Ca 0.16 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3i1t n PRO 89 Cb 0.60 -1.71 -0.15 0.00 -0.02 0.00 0.00 33.50 32.22 3i1t n PRO 89 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3i1t s GLN 90 N -1.11 1.90 -0.18 -0.52 2.00 -1.26 -4.79 119.66 115.70 3i1t s GLN 90 Ca 0.64 -1.05 0.01 0.00 -2.00 0.00 0.00 55.36 52.96 3i1t s GLN 90 Cb -0.79 -2.02 0.02 0.00 0.80 0.00 0.00 33.01 31.02 3i1t s GLN 90 CO 0.57 0.53 -0.20 0.34 -0.50 0.00 0.00 175.29 176.03 3i1t s ASP 91 N -1.10 3.13 0.00 6.67 2.15 -1.26 -3.91 116.67 122.34 3i1t s ASP 91 Ca 0.12 -0.65 0.16 0.00 0.43 0.00 0.00 52.55 52.61 3i1t s ASP 91 Cb -0.10 -1.48 0.29 0.00 -0.30 0.00 0.00 42.92 41.34 3i1t s ASP 91 CO 0.02 0.00 1.20 1.41 -0.17 0.00 0.00 175.17 177.63 3i1t n HIS 92 N 4.59 0.35 -1.68 -5.34 8.25 -1.26 -4.99 115.22 115.14 3i1t n HIS 92 Ca -0.21 -0.26 -0.47 0.00 -0.26 0.00 0.00 57.72 56.52 3i1t n HIS 92 Cb 0.50 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 3i1t n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1t n SER 93 N 0.94 3.61 -4.88 0.41 7.64 -1.26 -4.61 113.62 115.47 3i1t n SER 93 Ca 0.13 0.95 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 3i1t n SER 93 Cb 0.46 -1.41 0.02 0.00 -1.01 0.00 0.00 64.21 62.27 3i1t n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i1t s GLN 94 N 4.22 3.39 0.13 1.43 -1.52 -1.26 -4.99 119.66 121.06 3i1t s GLN 94 Ca 0.92 0.63 -0.16 0.00 -1.95 0.00 0.00 55.36 54.80 3i1t s GLN 94 Cb -0.63 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 30.07 3i1t s GLN 94 CO 0.50 -0.68 1.68 -0.22 -0.25 0.00 0.00 175.29 176.32 3i1t h LYS 95 N -0.38 0.59 -5.23 2.91 3.64 -1.93 -3.49 116.57 112.69 3i1t h LYS 95 Ca -0.44 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3i1t h LYS 95 Cb 1.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3i1t h LYS 95 CO 0.62 0.55 -1.13 0.28 -2.27 0.00 0.00 179.45 177.51 3i1t n VAL 96 N -4.65-11.29 -1.80 2.00 0.31 -1.26 -4.85 118.33 96.78 3i1t n VAL 96 Ca -0.00 1.95 -0.42 0.00 -0.01 0.00 0.00 64.34 65.86 3i1t n VAL 96 Cb 0.14 -6.45 -0.03 0.00 -0.91 0.00 0.00 33.84 26.59 3i1t n VAL 96 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3i1t s ASN 97 N -1.31 6.35 -1.12 4.52 3.84 -1.26 -4.88 114.94 121.08 3i1t s ASN 97 Ca -0.07 2.31 -0.23 0.00 0.21 0.00 0.00 52.86 55.08 3i1t s ASN 97 Cb 0.00 -2.53 -0.10 0.00 -0.55 0.00 0.00 41.25 38.08 3i1t s ASN 97 CO 0.71 -1.18 1.97 -0.75 -2.79 0.00 0.00 177.10 175.06 3i1t s LYS 98 N 4.65 2.34 0.00 0.43 2.20 -1.26 -1.18 119.74 126.92 3i1t s LYS 98 Ca 0.84 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 3i1t s LYS 98 Cb -0.37 -5.18 0.00 0.00 -1.51 0.00 0.00 37.83 30.78 3i1t s LYS 98 CO 0.36 -4.08 0.00 1.17 -0.36 0.00 0.00 175.35 172.44 3i1t n LYS 99 N 8.37 0.00 0.00 4.03 4.81 -1.26 -4.86 118.16 129.25 3i1t n LYS 99 Ca 0.44 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.01 3i1t n LYS 99 Cb 0.47 0.00 0.49 0.00 0.02 0.00 0.00 35.03 36.00 3i1t n LYS 99 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3i1t n MET 100 N 0.00 0.31 0.06 1.64 2.81 -0.32 -0.99 117.12 120.62 3i1t n MET 100 Ca 0.00 -0.12 -0.15 0.00 -1.81 0.00 0.00 57.70 55.63 3i1t n MET 100 Cb 0.00 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 30.87 3i1t n MET 100 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3i1t h TYR 101 N 0.29 0.36 0.09 2.03 3.20 -1.74 -3.14 116.97 118.06 3i1t h TYR 101 Ca 0.00 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 3i1t h TYR 101 Cb 0.45 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3i1t h TYR 101 CO 0.00 1.29 -0.04 0.00 -1.64 0.00 0.00 178.16 177.77 3i1t h ARG 102 N 0.05 -0.12 -0.17 1.82 3.08 -1.83 -1.92 114.38 115.31 3i1t h ARG 102 Ca -0.20 0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.90 3i1t h ARG 102 Cb 1.98 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 3i1t h ARG 102 CO 0.16 0.24 0.56 0.78 -1.07 0.00 0.00 179.97 180.64 3i1t h GLY 103 N -0.98 0.00 0.12 0.04 0.00 -1.23 -1.18 103.07 99.83 3i1t h GLY 103 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.94 3i1t h GLY 103 CO 0.02 0.00 -2.37 0.00 0.00 0.00 0.00 176.54 174.19 3i1t n ALA 104 N -1.93 1.36 0.05 3.60 0.00 -1.18 -4.02 120.51 118.39 3i1t n ALA 104 Ca 0.02 -1.04 0.21 0.00 0.00 0.00 0.00 53.44 52.63 3i1t n ALA 104 Cb 0.65 -0.22 0.74 0.00 0.00 0.00 0.00 19.45 20.62 3i1t n ALA 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i1t h LEU 105 N 0.01 0.00 -0.05 0.00 7.12 -0.38 -1.19 115.31 120.82 3i1t h LEU 105 Ca -0.54 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.37 3i1t h LEU 105 Cb 1.96 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 42.10 3i1t h LEU 105 CO -0.04 0.00 -0.35 0.11 -0.13 0.00 0.00 178.44 178.03 3i1t h LYS 106 N 0.00 0.33 0.00 1.25 1.57 -1.59 -2.92 116.57 115.20 3i1t h LYS 106 Ca 0.23 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3i1t h LYS 106 Cb 1.12 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3i1t h LYS 106 CO -0.00 0.94 -0.62 0.77 -0.57 0.00 0.00 179.45 179.97 3i1t h SER 107 N -0.19 0.00 0.71 0.86 0.02 -1.42 0.82 113.55 114.35 3i1t h SER 107 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3i1t h SER 107 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3i1t h SER 107 CO 0.07 0.62 0.00 0.00 -1.14 0.00 0.00 176.83 176.38 3i1t n ILE 108 N -3.80 0.30 -0.07 3.27 0.00 -0.55 -2.38 119.36 116.13 3i1t n ILE 108 Ca -0.01 0.07 -0.10 0.00 0.00 0.00 0.00 62.75 62.72 3i1t n ILE 108 Cb 0.62 -0.66 -0.07 0.00 0.00 0.00 0.00 39.64 39.53 3i1t n ILE 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i1t n LEU 109 N -1.43 2.64 -0.01 9.51 7.94 -0.76 -3.86 117.00 131.03 3i1t n LEU 109 Ca 0.08 -0.07 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3i1t n LEU 109 Cb 0.25 -0.43 -0.08 0.00 0.53 0.00 0.00 43.42 43.70 3i1t n LEU 109 CO 0.21 0.70 0.75 0.28 -1.11 0.00 0.00 177.39 178.22 3i1t h SER 110 N 0.00 0.08 0.27 1.96 0.02 0.60 0.01 113.55 116.49 3i1t h SER 110 Ca -0.33 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 3i1t h SER 110 Cb 1.54 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 3i1t h SER 110 CO -0.04 0.33 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.77 3i1t h GLU 111 N -0.18 0.00 0.00 3.45 4.22 -1.70 0.28 114.58 120.65 3i1t h GLU 111 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 3i1t h GLU 111 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i1t h GLU 111 CO 0.00 0.13 0.00 1.25 -2.18 0.00 0.00 179.01 178.21 3i1t h LEU 112 N 0.00 0.00 0.00 1.64 7.12 -1.38 -2.34 115.31 120.35 3i1t h LEU 112 Ca -0.00 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.82 3i1t h LEU 112 Cb 0.30 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.39 3i1t h LEU 112 CO 0.02 0.00 -2.03 0.55 -0.13 0.00 0.00 178.44 176.84 3i1t n VAL 113 N -2.83 0.72 -0.05 1.05 3.14 0.54 -2.00 118.33 118.89 3i1t n VAL 113 Ca 0.01 -0.60 -0.11 0.00 -2.96 0.00 0.00 64.34 60.67 3i1t n VAL 113 Cb 0.27 -0.31 -0.05 0.00 -1.06 0.00 0.00 33.84 32.69 3i1t n VAL 113 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3i1t h ARG 114 N 0.00 0.28 -1.54 1.45 3.08 -0.42 -2.69 114.38 114.55 3i1t h ARG 114 Ca -0.28 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 3i1t h ARG 114 Cb 1.58 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.55 3i1t h ARG 114 CO 0.02 0.45 0.13 1.04 -1.07 0.00 0.00 179.97 180.54 3i1t n GLN 115 N -4.77 1.24 -1.88 0.04 1.13 -0.90 -4.83 117.38 107.41 3i1t n GLN 115 Ca -0.05 -0.51 -0.01 0.00 -1.94 0.00 0.00 57.00 54.49 3i1t n GLN 115 Cb 0.18 -1.20 -0.00 0.00 0.11 0.00 0.00 30.24 29.33 3i1t n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3i1t n ASP 116 N 0.80 -0.68 -0.05 1.08 5.68 -1.01 -4.70 116.55 117.67 3i1t n ASP 116 Ca 0.10 0.28 0.14 0.00 -0.50 0.00 0.00 54.79 54.81 3i1t n ASP 116 Cb 0.58 -0.67 0.65 0.00 -1.14 0.00 0.00 41.12 40.55 3i1t n ASP 116 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3i1t n ARG 117 N -1.68 0.48 -3.58 0.11 3.00 -0.92 -4.66 116.66 109.41 3i1t n ARG 117 Ca 0.00 -0.10 -0.41 0.00 -0.00 0.00 0.00 57.85 57.34 3i1t n ARG 117 Cb 0.33 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.18 3i1t n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i1t s LEU 118 N -2.59 4.79 -0.44 6.15 2.96 -0.85 -3.19 118.68 125.51 3i1t s LEU 118 Ca 0.26 -1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 53.08 3i1t s LEU 118 Cb 0.20 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.94 3i1t s LEU 118 CO 0.49 -0.40 0.31 0.27 -1.32 0.00 0.00 176.35 175.69 3i1t s ILE 119 N 1.57 4.32 0.08 6.68 -4.36 -1.24 -4.98 121.20 123.28 3i1t s ILE 119 Ca 0.02 -1.52 -0.25 0.00 -0.26 0.00 0.00 60.65 58.65 3i1t s ILE 119 Cb -0.19 -3.72 -0.06 0.00 1.25 0.00 0.00 42.46 39.74 3i1t s ILE 119 CO 0.07 -0.62 0.77 0.54 0.24 0.00 0.00 174.94 175.94 3i1t s VAL 120 N 1.42 4.63 -0.09 8.37 0.11 -1.26 -4.39 120.40 129.20 3i1t s VAL 120 Ca 0.04 1.65 -0.03 0.00 -2.93 0.00 0.00 61.98 60.72 3i1t s VAL 120 Cb -0.24 -4.12 0.04 0.00 -1.53 0.00 0.00 36.38 30.52 3i1t s VAL 120 CO 0.01 0.41 0.05 0.68 -3.33 0.00 0.00 175.10 172.92 3i1t s VAL 121 N -0.35 0.07 -0.48 2.04 -7.23 -1.22 -1.64 120.40 111.58 3i1t s VAL 121 Ca 0.38 0.14 -0.28 0.00 -1.81 0.00 0.00 61.98 60.42 3i1t s VAL 121 Cb -0.21 -0.41 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 3i1t s VAL 121 CO 0.24 0.07 2.39 1.21 -0.31 0.00 0.00 175.10 178.70 3i1t n GLU 122 N 5.24 1.09 -2.38 4.82 2.13 -1.26 -0.98 120.64 129.30 3i1t n GLU 122 Ca -0.05 0.12 -0.05 0.00 0.66 0.00 0.00 57.16 57.84 3i1t n GLU 122 Cb 0.50 -3.11 -0.04 0.00 0.27 0.00 0.00 31.44 29.06 3i1t n GLU 122 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3i1t n LYS 123 N 8.83 -3.77 -3.29 5.31 4.81 -1.26 -4.88 118.16 123.92 3i1t n LYS 123 Ca 0.39 2.92 -0.07 0.00 -0.87 0.00 0.00 58.31 60.69 3i1t n LYS 123 Cb 0.44 -4.32 -0.05 0.00 0.02 0.00 0.00 35.03 31.12 3i1t n LYS 123 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3i1t s PHE 124 N -0.54 -1.11 0.00 5.64 2.19 -1.26 -4.99 117.98 117.91 3i1t s PHE 124 Ca -0.24 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.52 3i1t s PHE 124 Cb 0.02 -0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.66 3i1t s PHE 124 CO 0.65 -0.97 0.00 0.43 1.83 0.00 0.00 175.22 177.16 3i1t n SER 125 N 5.36 0.00 -3.61 6.13 7.64 -1.26 -4.91 113.62 122.98 3i1t n SER 125 Ca 0.01 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.90 3i1t n SER 125 Cb 0.50 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 3i1t n SER 125 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3i1t n VAL 126 N 0.00 0.00 0.00 0.44 3.14 -1.26 -5.15 118.33 115.50 3i1t n VAL 126 Ca 0.00 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3i1t n VAL 126 Cb 0.00 0.61 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 3i1t n VAL 126 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3i1t n GLU 127 N -0.84 0.00 -3.15 1.45 0.00 -1.26 -4.76 120.64 112.08 3i1t n GLU 127 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.99 3i1t n GLU 127 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 31.44 32.04 3i1t n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1t s ALA 128 N -3.75 4.61 -0.67 -1.84 0.00 -1.26 -4.04 121.76 114.81 3i1t s ALA 128 Ca 0.00 -1.93 -0.37 0.00 0.00 0.00 0.00 51.96 49.65 3i1t s ALA 128 Cb 0.00 -1.39 -0.19 0.00 0.00 0.00 0.00 23.12 21.54 3i1t s ALA 128 CO 0.00 -0.65 2.37 -2.30 0.00 0.00 0.00 175.76 175.18 3i1t n PRO 129 N -2.06 0.16 -3.36 0.00 -0.02 -1.11 -4.78 135.00 123.83 3i1t n PRO 129 Ca 0.11 0.03 -0.17 0.00 -2.02 0.00 0.00 63.50 61.46 3i1t n PRO 129 Cb 0.61 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.33 3i1t n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i1t s LYS 130 N 7.23 0.59 -0.39 -0.52 -0.14 -1.26 -4.95 119.74 120.30 3i1t s LYS 130 Ca 1.24 -0.72 0.01 0.00 -1.36 0.00 0.00 55.97 55.14 3i1t s LYS 130 Cb -1.28 -0.69 0.41 0.00 -1.68 0.00 0.00 37.83 34.58 3i1t s LYS 130 CO 0.56 -1.17 1.83 0.25 -0.76 0.00 0.00 175.35 176.06 3i1t n THR 131 N 4.44 2.85 0.00 2.17 -2.24 -1.26 -2.45 114.28 117.79 3i1t n THR 131 Ca 0.09 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 3i1t n THR 131 Cb 0.46 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3i1t n THR 131 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i1t n LYS 132 N -0.47 0.33 -0.06 -0.78 4.81 -1.26 -4.75 118.16 115.98 3i1t n LYS 132 Ca 0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.85 3i1t n LYS 132 Cb 1.01 -0.15 -0.01 0.00 0.02 0.00 0.00 35.03 35.90 3i1t n LYS 132 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i1t h LEU 133 N 0.00 0.00 -2.70 3.14 6.46 -1.95 -2.99 115.31 117.26 3i1t h LEU 133 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3i1t h LEU 133 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3i1t h LEU 133 CO 0.00 0.64 0.01 0.25 -0.62 0.00 0.00 178.44 178.72 3i1t h LEU 134 N -0.99 0.00 0.06 2.25 5.85 -1.83 0.48 115.31 121.13 3i1t h LEU 134 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i1t h LEU 134 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3i1t h LEU 134 CO 0.00 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.07 3i1t h ALA 135 N 1.99 -0.09 -0.02 1.25 0.00 -1.69 -2.47 119.26 118.23 3i1t h ALA 135 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i1t h ALA 135 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i1t h ALA 135 CO 0.00 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.17 3i1t n GLN 136 N -4.78 1.12 -0.06 0.00 1.13 -1.07 -2.30 117.38 111.43 3i1t n GLN 136 Ca -0.07 -0.10 -0.01 0.00 -1.94 0.00 0.00 57.00 54.88 3i1t n GLN 136 Cb 0.27 -1.46 -0.15 0.00 0.11 0.00 0.00 30.24 29.02 3i1t n GLN 136 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3i1t n LYS 137 N -0.04 0.85 0.11 -1.09 3.00 0.14 -4.26 118.16 116.87 3i1t n LYS 137 Ca 0.01 -0.08 -0.18 0.00 -0.00 0.00 0.00 58.31 58.06 3i1t n LYS 137 Cb 0.25 -1.47 -0.14 0.00 0.00 0.00 0.00 35.03 33.66 3i1t n LYS 137 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i1t h LEU 138 N 0.00 0.51 -0.39 3.14 3.38 -1.02 -3.09 115.31 117.84 3i1t h LEU 138 Ca -0.29 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3i1t h LEU 138 Cb 1.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3i1t h LEU 138 CO 0.02 1.46 0.00 2.29 0.09 0.00 0.00 178.44 182.29 3i1t n LYS 139 N -3.56 0.08 0.03 1.13 2.85 -1.23 -0.66 118.16 116.80 3i1t n LYS 139 Ca -0.12 0.39 -0.13 0.00 -1.05 0.00 0.00 58.31 57.41 3i1t n LYS 139 Cb 1.05 -1.67 -0.08 0.00 -0.65 0.00 0.00 35.03 33.67 3i1t n LYS 139 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3i1t h ASP 140 N 0.00 -0.04 0.63 -5.58 3.45 -1.72 -1.39 116.42 111.77 3i1t h ASP 140 Ca 0.00 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.23 3i1t h ASP 140 Cb 0.21 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3i1t h ASP 140 CO 0.00 0.21 0.00 0.23 -1.57 0.00 0.00 179.24 178.11 3i1t n MET 141 N -5.00 0.11 -2.74 3.56 2.81 -0.34 -4.91 117.12 110.61 3i1t n MET 141 Ca -0.08 0.11 -0.08 0.00 -1.81 0.00 0.00 57.70 55.85 3i1t n MET 141 Cb 0.15 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.19 3i1t n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1t n ALA 142 N -1.43 -0.57 -2.61 3.04 0.00 0.16 -5.05 120.51 114.06 3i1t n ALA 142 Ca 0.07 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 3i1t n ALA 142 Cb 0.22 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 3i1t n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1t s LEU 143 N -3.38 3.18 0.46 0.00 1.02 -0.89 -4.95 118.68 114.13 3i1t s LEU 143 Ca 0.13 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.06 3i1t s LEU 143 Cb -0.06 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.24 3i1t s LEU 143 CO 0.26 0.22 0.10 -1.83 0.02 0.00 0.00 176.35 175.12 3i1t s GLU 144 N -1.89 2.08 -1.22 1.70 -1.05 -1.26 -4.33 118.70 112.73 3i1t s GLU 144 Ca 0.20 -2.31 -0.07 0.00 -0.15 0.00 0.00 54.97 52.64 3i1t s GLU 144 Cb -0.11 -0.90 0.01 0.00 -0.44 0.00 0.00 34.13 32.69 3i1t s GLU 144 CO 0.12 -0.49 0.14 -0.25 0.95 0.00 0.00 175.26 175.73 3i1t n ASP 145 N -1.41 -0.26 -4.75 0.83 8.00 -1.26 -4.14 116.55 113.57 3i1t n ASP 145 Ca -0.12 -1.07 -0.40 0.00 0.71 0.00 0.00 54.79 53.91 3i1t n ASP 145 Cb 0.65 -1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 3i1t n ASP 145 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i1t s VAL 146 N -4.06 4.10 -0.14 2.53 1.01 0.06 -2.48 120.40 121.42 3i1t s VAL 146 Ca 0.10 2.05 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 3i1t s VAL 146 Cb -0.06 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3i1t s VAL 146 CO 0.82 0.50 -0.22 -0.11 0.00 0.00 0.00 175.10 176.09 3i1t n LEU 147 N 1.48 1.59 -0.88 3.92 -0.00 -0.96 -3.45 117.00 118.69 3i1t n LEU 147 Ca -0.02 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 3i1t n LEU 147 Cb 0.47 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 3i1t n LEU 147 CO 0.50 -0.39 0.00 -0.38 -0.00 0.00 0.00 177.39 177.11 3i1t n ILE 148 N -4.21 -1.78 -3.33 1.96 2.08 -1.26 -3.72 119.36 109.10 3i1t n ILE 148 Ca -0.09 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.11 3i1t n ILE 148 Cb 0.33 -2.66 -0.07 0.00 -0.75 0.00 0.00 39.64 36.50 3i1t n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3i1t s ILE 149 N 0.00 -0.59 0.00 1.39 2.07 -1.23 -3.19 121.20 119.66 3i1t s ILE 149 Ca 0.00 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 3i1t s ILE 149 Cb 0.00 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.61 3i1t s ILE 149 CO 0.00 -0.31 0.00 0.35 -1.91 0.00 0.00 174.94 173.07 3i1t n THR 150 N 5.35 0.00 0.00 4.00 -2.24 -1.25 -0.81 114.28 119.33 3i1t n THR 150 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1t n THR 150 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3i1t n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 151 N 5.00 0.19 0.00 3.38 0.00 -1.26 -2.72 105.19 109.78 3i1t n GLY 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1t n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1t n GLU 152 N -0.44 0.88 -1.99 1.61 2.13 -1.26 -4.67 120.64 116.90 3i1t n GLU 152 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i1t n GLU 152 Cb 0.00 -0.15 0.00 0.00 0.27 0.00 0.00 31.44 31.56 3i1t n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i1t n LEU 153 N -0.25 -5.22 -4.78 4.31 0.00 -1.26 -4.93 117.00 104.86 3i1t n LEU 153 Ca 0.00 3.00 -0.38 0.00 0.00 0.00 0.00 56.01 58.62 3i1t n LEU 153 Cb 0.00 -2.96 -0.06 0.00 0.00 0.00 0.00 43.42 40.40 3i1t n LEU 153 CO 0.00 -1.35 0.54 1.51 0.00 0.00 0.00 177.39 178.09 3i1t s ASP 154 N -0.78 7.35 0.00 1.96 1.47 -1.26 -4.92 116.67 120.49 3i1t s ASP 154 Ca 0.00 1.70 -0.03 0.00 1.18 0.00 0.00 52.55 55.40 3i1t s ASP 154 Cb 0.00 -2.52 -0.12 0.00 -0.34 0.00 0.00 42.92 39.93 3i1t s ASP 154 CO 0.00 0.09 2.28 1.21 0.68 0.00 0.00 175.17 179.43 3i1t n GLU 155 N 1.09 1.18 0.00 2.11 2.13 -1.26 -2.37 120.64 123.52 3i1t n GLU 155 Ca -0.02 -0.46 0.00 0.00 0.66 0.00 0.00 57.16 57.34 3i1t n GLU 155 Cb 0.49 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.61 3i1t n GLU 155 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3i1t n ASN 156 N 2.27 0.16 0.08 4.31 5.15 -1.26 -4.38 115.26 121.59 3i1t n ASN 156 Ca 0.20 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 3i1t n ASN 156 Cb 0.55 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.72 3i1t n ASN 156 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 3i1t h LEU 157 N 0.00 0.10 -1.21 1.20 8.10 -1.68 -2.92 115.31 118.89 3i1t h LEU 157 Ca 0.00 -0.10 0.06 0.00 0.11 0.00 0.00 57.88 57.96 3i1t h LEU 157 Cb 0.57 -0.03 -0.05 0.00 -0.44 0.00 0.00 40.66 40.70 3i1t h LEU 157 CO 0.00 1.02 0.56 0.15 -4.11 0.00 0.00 178.44 176.06 3i1t h PHE 158 N 0.02 0.97 0.00 0.17 3.04 -1.75 0.17 116.94 119.56 3i1t h PHE 158 Ca -0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3i1t h PHE 158 Cb 1.71 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.90 3i1t h PHE 158 CO 0.01 0.51 0.00 -0.11 -2.02 0.00 0.00 178.31 176.70 3i1t n LEU 159 N -4.48 0.01 0.00 0.59 7.94 -1.17 -4.59 117.00 115.29 3i1t n LEU 159 Ca 0.13 0.50 -0.17 0.00 -1.11 0.00 0.00 56.01 55.36 3i1t n LEU 159 Cb 0.20 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.65 3i1t n LEU 159 CO 0.33 -0.21 0.05 0.00 -1.11 0.00 0.00 177.39 176.45 3i1t n ALA 160 N -1.50 0.57 -0.77 1.96 0.00 0.60 -4.65 120.51 116.72 3i1t n ALA 160 Ca 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.01 3i1t n ALA 160 Cb 0.20 0.61 0.00 0.00 0.00 0.00 0.00 19.45 20.26 3i1t n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 161 N -2.24 0.00 -0.24 0.00 0.00 -1.26 -4.84 120.51 111.94 3i1t n ALA 161 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i1t n ALA 161 Cb 0.42 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3i1t n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1t n ARG 162 N -1.35 0.00 0.00 0.00 1.74 -1.26 -3.71 116.66 112.08 3i1t n ARG 162 Ca 0.00 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 3i1t n ARG 162 Cb 0.12 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3i1t n ARG 162 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i1t n ASN 163 N -1.64 0.00 -4.57 0.55 5.03 -1.26 -4.41 115.26 108.95 3i1t n ASN 163 Ca 0.00 0.11 -0.41 0.00 0.87 0.00 0.00 54.58 55.15 3i1t n ASN 163 Cb 0.00 -0.11 -0.08 0.00 -1.02 0.00 0.00 39.78 38.58 3i1t n ASN 163 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3i1t s LEU 164 N -2.19 4.30 0.00 3.41 1.98 -1.24 -5.02 118.68 119.92 3i1t s LEU 164 Ca 0.00 0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.28 3i1t s LEU 164 Cb 0.00 -2.59 0.00 0.00 0.66 0.00 0.00 46.19 44.26 3i1t s LEU 164 CO 0.00 -0.45 0.34 1.41 -1.89 0.00 0.00 176.35 175.77 3i1t n HIS 165 N 5.70 0.00 0.01 5.38 8.25 -1.26 -3.39 115.22 129.91 3i1t n HIS 165 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3i1t n HIS 165 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3i1t n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i1t n LYS 166 N -0.43 0.01 -4.52 -0.41 4.01 -1.26 -4.48 118.16 111.08 3i1t n LYS 166 Ca 0.00 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.59 3i1t n LYS 166 Cb 0.00 -1.23 -0.15 0.00 -0.51 0.00 0.00 35.03 33.15 3i1t n LYS 166 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i1t s VAL 167 N -2.00 1.02 0.35 -0.18 0.11 -1.22 -0.76 120.40 117.73 3i1t s VAL 167 Ca 0.00 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.43 3i1t s VAL 167 Cb 0.00 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3i1t s VAL 167 CO 0.00 0.21 0.10 -0.62 -3.33 0.00 0.00 175.10 171.46 3i1t s ASP 168 N -0.50 2.38 -0.63 3.54 2.15 -1.22 -4.65 116.67 117.74 3i1t s ASP 168 Ca 0.04 -1.51 0.04 0.00 0.43 0.00 0.00 52.55 51.54 3i1t s ASP 168 Cb -0.06 0.22 0.15 0.00 -0.30 0.00 0.00 42.92 42.94 3i1t s ASP 168 CO -0.00 -0.77 0.40 0.68 -0.17 0.00 0.00 175.17 175.31 3i1t s VAL 169 N -3.33 2.91 0.39 1.11 -7.23 -1.26 -4.37 120.40 108.62 3i1t s VAL 169 Ca 0.31 -3.73 0.07 0.00 -1.81 0.00 0.00 61.98 56.81 3i1t s VAL 169 Cb 0.06 -2.94 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 3i1t s VAL 169 CO 0.15 -0.91 0.01 -0.13 -0.31 0.00 0.00 175.10 173.91 3i1t s ARG 170 N -0.83 1.89 0.00 4.82 0.52 -1.19 -5.02 118.95 119.15 3i1t s ARG 170 Ca 0.21 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 3i1t s ARG 170 Cb -0.16 -1.52 0.00 0.00 0.52 0.00 0.00 34.95 33.79 3i1t s ARG 170 CO -0.08 -0.05 0.00 -0.40 0.02 0.00 0.00 175.30 174.79 3i1t n ASP 171 N -0.91 0.00 0.26 0.23 5.68 -1.26 -3.48 116.55 117.08 3i1t n ASP 171 Ca -0.05 -0.62 -0.12 0.00 -0.50 0.00 0.00 54.79 53.51 3i1t n ASP 171 Cb 0.67 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.59 3i1t n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i1t h ALA 172 N 1.16 -1.13 -0.96 2.12 0.00 -1.83 -3.25 119.26 115.36 3i1t h ALA 172 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 54.91 54.33 3i1t h ALA 172 Cb 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3i1t h ALA 172 CO 0.00 -1.10 1.06 0.95 0.00 0.00 0.00 179.25 180.16 3i1t s THR 173 N -4.72 3.61 0.00 0.00 -4.23 -1.26 -2.65 115.64 106.39 3i1t s THR 173 Ca -0.11 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3i1t s THR 173 Cb 0.02 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.46 3i1t s THR 173 CO 0.35 -1.32 0.00 0.61 -0.54 0.00 0.00 174.62 173.72 3i1t n GLY 174 N 6.67 0.00 3.65 3.99 0.00 -1.23 -5.11 105.19 113.16 3i1t n GLY 174 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 3i1t n GLY 174 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1t s ILE 175 N 0.00 4.03 -0.28 -0.61 1.10 -1.09 -4.57 121.20 119.78 3i1t s ILE 175 Ca 0.00 1.20 0.03 0.00 -0.51 0.00 0.00 60.65 61.37 3i1t s ILE 175 Cb 0.00 -3.91 0.07 0.00 0.15 0.00 0.00 42.46 38.78 3i1t s ILE 175 CO 0.00 -0.25 -0.04 -1.81 -2.11 0.00 0.00 174.94 170.73 3i1t s ASP 176 N 2.85 4.40 0.22 4.50 1.01 -1.26 -4.99 116.67 123.40 3i1t s ASP 176 Ca 0.61 -1.61 0.09 0.00 0.71 0.00 0.00 52.55 52.36 3i1t s ASP 176 Cb -0.23 -1.46 0.50 0.00 1.01 0.00 0.00 42.92 42.75 3i1t s ASP 176 CO 0.22 -0.27 1.16 -2.65 0.21 0.00 0.00 175.17 173.83 3i1t n PRO 177 N 4.45 0.06 0.01 8.23 -0.02 -1.26 -2.10 135.00 144.37 3i1t n PRO 177 Ca -0.07 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3i1t n PRO 177 Cb 0.42 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 3i1t n PRO 177 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3i1t h VAL 178 N 0.00 1.04 -0.32 -1.45 3.04 -1.95 -3.34 116.25 113.27 3i1t h VAL 178 Ca 0.00 -1.41 -0.09 0.00 -1.01 0.00 0.00 66.70 64.20 3i1t h VAL 178 Cb 0.49 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 3i1t h VAL 178 CO 0.00 0.30 -0.16 0.77 -1.01 0.00 0.00 177.57 177.47 3i1t h SER 179 N -0.87 0.56 -0.57 3.17 4.64 -1.83 -2.83 113.55 115.82 3i1t h SER 179 Ca -0.01 -0.17 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3i1t h SER 179 Cb 0.58 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.46 3i1t h SER 179 CO 0.02 0.74 0.26 -0.07 -0.87 0.00 0.00 176.83 176.92 3i1t h LEU 180 N 0.52 0.34 -2.31 5.97 3.38 -1.68 0.35 115.31 121.88 3i1t h LEU 180 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i1t h LEU 180 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i1t h LEU 180 CO 0.04 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3i1t n ILE 181 N -4.92 1.01 0.14 1.22 0.13 -1.21 -3.99 119.36 111.75 3i1t n ILE 181 Ca 0.07 -0.84 0.08 0.00 -1.10 0.00 0.00 62.75 60.96 3i1t n ILE 181 Cb 0.20 0.28 -0.12 0.00 -0.84 0.00 0.00 39.64 39.16 3i1t n ILE 181 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i1t n ALA 182 N 1.12 2.91 -2.62 1.51 0.00 0.11 -4.98 120.51 118.56 3i1t n ALA 182 Ca 0.20 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 3i1t n ALA 182 Cb 0.58 -0.58 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i1t n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i1t s PHE 183 N -3.04 2.91 0.04 0.00 0.40 -0.41 -5.01 117.98 112.86 3i1t s PHE 183 Ca -0.04 -0.05 0.32 0.00 -0.60 0.00 0.00 56.93 56.56 3i1t s PHE 183 Cb 0.11 -1.72 1.23 0.00 0.51 0.00 0.00 43.02 43.15 3i1t s PHE 183 CO 0.69 0.26 1.94 0.22 0.70 0.00 0.00 175.22 179.03 3i1t h ASP 184 N 5.42 0.00 -2.07 1.36 1.82 -1.86 -3.40 116.42 117.69 3i1t h ASP 184 Ca -0.46 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 55.95 3i1t h ASP 184 Cb 1.17 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.87 3i1t h ASP 184 CO 0.53 0.01 -0.55 -0.54 -1.61 0.00 0.00 179.24 177.07 3i1t s LYS 185 N -3.61 0.31 0.05 0.28 1.02 -1.03 -4.88 119.74 111.87 3i1t s LYS 185 Ca 0.02 0.26 -0.11 0.00 0.02 0.00 0.00 55.97 56.15 3i1t s LYS 185 Cb 0.08 -0.67 -0.06 0.00 -0.52 0.00 0.00 37.83 36.67 3i1t s LYS 185 CO 0.56 -0.78 0.39 0.54 -0.92 0.00 0.00 175.35 175.15 3i1t s VAL 186 N 2.46 5.09 0.00 3.17 0.11 -1.19 -2.27 120.40 127.76 3i1t s VAL 186 Ca 0.10 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 3i1t s VAL 186 Cb -0.15 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 3i1t s VAL 186 CO -0.21 0.38 0.00 0.52 -3.33 0.00 0.00 175.10 172.47 3i1t n VAL 187 N 1.21 0.00 -1.54 2.04 0.31 -1.26 -3.60 118.33 115.49 3i1t n VAL 187 Ca -0.10 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i1t n VAL 187 Cb 0.52 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 3i1t n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i1t n MET 188 N -0.02 -3.66 -3.26 5.55 0.00 -1.17 -3.92 117.12 110.64 3i1t n MET 188 Ca 0.00 2.77 -0.21 0.00 0.00 0.00 0.00 57.70 60.26 3i1t n MET 188 Cb 0.00 -2.82 0.03 0.00 0.00 0.00 0.00 33.22 30.43 3i1t n MET 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3i1t s THR 189 N -0.34 2.19 0.22 1.12 -4.23 0.01 -3.45 115.64 111.16 3i1t s THR 189 Ca 0.00 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3i1t s THR 189 Cb 0.00 -2.33 0.17 0.00 1.34 0.00 0.00 72.50 71.68 3i1t s THR 189 CO 0.00 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.80 3i1t h ALA 190 N 0.44 0.83 -0.06 3.99 0.00 -1.40 -2.64 119.26 120.42 3i1t h ALA 190 Ca -0.34 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i1t h ALA 190 Cb 1.29 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3i1t h ALA 190 CO 0.46 -0.25 -0.32 0.22 0.00 0.00 0.00 179.25 179.36 3i1t h ASP 191 N 0.35 -0.99 -0.63 0.00 -0.00 -1.85 -2.66 116.42 110.64 3i1t h ASP 191 Ca 0.34 0.13 0.12 0.00 -0.00 0.00 0.00 57.03 57.62 3i1t h ASP 191 Cb 0.49 0.41 -0.12 0.00 -0.00 0.00 0.00 39.33 40.11 3i1t h ASP 191 CO -0.38 -0.37 -0.26 0.00 -0.00 0.00 0.00 179.24 178.22 3i1t h ALA 192 N 0.32 0.17 -0.20 -0.78 0.00 -1.26 0.87 119.26 118.37 3i1t h ALA 192 Ca 0.08 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3i1t h ALA 192 Cb 0.56 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i1t h ALA 192 CO -0.31 -0.56 0.23 0.28 0.00 0.00 0.00 179.25 178.89 3i1t h VAL 193 N -0.10 0.45 0.54 0.00 2.07 -1.50 -1.89 116.25 115.83 3i1t h VAL 193 Ca 0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 3i1t h VAL 193 Cb 0.53 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3i1t h VAL 193 CO -0.69 0.00 -0.26 0.11 0.02 0.00 0.00 177.57 176.75 3i1t h LYS 194 N 0.00 -0.70 -0.31 1.57 1.57 -0.82 0.20 116.57 118.08 3i1t h LYS 194 Ca 0.10 0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3i1t h LYS 194 Cb 0.55 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3i1t h LYS 194 CO -0.00 -0.47 -0.13 1.96 -0.57 0.00 0.00 179.45 180.24 3i1t h GLN 195 N -0.98 0.64 0.00 3.15 7.50 -1.63 -2.02 115.11 121.77 3i1t h GLN 195 Ca -0.07 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 58.81 3i1t h GLN 195 Cb 0.56 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.06 3i1t h GLN 195 CO 0.12 0.85 0.00 0.28 -1.50 0.00 0.00 178.83 178.58 3i1t h VAL 196 N 0.40 0.00 -0.34 -0.54 2.07 -1.41 1.01 116.25 117.45 3i1t h VAL 196 Ca 0.07 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3i1t h VAL 196 Cb 0.65 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3i1t h VAL 196 CO 0.04 0.00 -0.05 -0.08 0.02 0.00 0.00 177.57 177.50 3i1t h GLU 197 N 0.00 0.55 0.00 1.57 4.57 0.19 -3.18 114.58 118.27 3i1t h GLU 197 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3i1t h GLU 197 Cb 0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3i1t h GLU 197 CO 0.00 0.62 0.00 -1.91 -1.18 0.00 0.00 179.01 176.54 3i1t n GLU 198 N -4.24 0.08 0.25 1.92 2.13 -0.17 -4.29 120.64 116.33 3i1t n GLU 198 Ca 0.01 -0.72 -0.11 0.00 0.66 0.00 0.00 57.16 57.00 3i1t n GLU 198 Cb 0.29 -0.96 -0.05 0.00 0.27 0.00 0.00 31.44 30.98 3i1t n GLU 198 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 3i1t h MET 199 N 0.00 -0.67 -0.00 5.31 4.05 1.00 -2.68 114.93 121.94 3i1t h MET 199 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3i1t h MET 199 Cb 0.18 0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 3i1t h MET 199 CO 0.00 -0.43 0.01 -0.07 0.23 0.00 0.00 176.91 176.64 3i1t h LEU 200 N -1.17 0.00 0.00 3.39 -0.00 -1.80 -3.50 115.31 112.23 3i1t h LEU 200 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3i1t h LEU 200 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3i1t h LEU 200 CO 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.56