#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s THR 6 N 0.00 4.74 0.62 0.00 2.01 -1.26 -5.03 115.64 116.72 1s1i s THR 6 Ca 0.00 0.77 -0.13 0.00 0.31 0.00 0.00 61.69 62.64 1s1i s THR 6 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1s1i s THR 6 CO 0.00 -1.08 1.03 -0.55 -0.69 0.00 0.00 174.62 173.33 1s1i s SER 7 N -4.14 5.98 0.34 3.53 0.15 -1.26 -5.07 113.70 113.23 1s1i s SER 7 Ca 0.54 1.58 0.06 0.00 0.70 0.00 0.00 55.95 58.83 1s1i s SER 7 Cb -0.11 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1s1i s SER 7 CO 0.52 -1.03 -0.00 0.28 1.20 0.00 0.00 173.24 174.20 1s1i s THR 8 N -2.89 1.67 0.02 6.45 -1.32 -1.26 -5.08 115.64 113.23 1s1i s THR 8 Ca 0.58 -2.05 -0.15 0.00 -1.21 0.00 0.00 61.69 58.85 1s1i s THR 8 Cb -0.13 -2.75 -0.09 0.00 -1.51 0.00 0.00 72.50 68.03 1s1i s THR 8 CO 0.46 -0.10 1.18 -1.13 -2.21 0.00 0.00 174.62 172.82 1s1i h ASN 9 N 2.04 -0.47 -3.95 8.08 -0.73 -1.98 -3.48 115.58 115.09 1s1i h ASN 9 Ca -0.42 0.02 -0.49 0.00 1.87 0.00 0.00 56.30 57.28 1s1i h ASN 9 Cb 1.24 0.12 0.01 0.00 0.27 0.00 0.00 38.32 39.97 1s1i h ASN 9 CO 0.73 -0.33 0.25 -2.16 -0.37 0.00 0.00 177.43 175.55 1s1i s PRO 10 N -4.12 3.84 0.00 6.67 0.04 -1.26 -5.02 135.00 135.15 1s1i s PRO 10 Ca -0.08 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1s1i s PRO 10 Cb 0.01 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1s1i s PRO 10 CO 0.24 -0.17 0.00 0.00 0.04 0.00 0.00 177.00 177.12 1s1i n ALA 11 N -1.51 0.00 0.02 8.56 0.00 -1.26 -4.84 120.51 121.48 1s1i n ALA 11 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1s1i n ALA 11 Cb 0.54 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.43 1s1i n ALA 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1s1i h LYS 12 N 0.00 0.49 -6.35 0.00 1.63 -1.96 -3.42 116.57 106.96 1s1i h LYS 12 Ca 0.00 -0.03 -0.65 0.00 -0.85 0.00 0.00 60.65 59.12 1s1i h LYS 12 Cb 0.00 -0.11 -0.12 0.00 -0.60 0.00 0.00 32.23 31.40 1s1i h LYS 12 CO 0.00 0.34 -0.66 -1.54 -3.45 0.00 0.00 179.45 174.13 1s1i s SER 13 N -6.72 5.00 -0.02 4.20 1.04 -1.26 -4.32 113.70 111.63 1s1i s SER 13 Ca -0.08 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.16 1s1i s SER 13 Cb 0.17 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 65.12 1s1i s SER 13 CO 0.73 0.17 -0.03 0.00 0.98 0.00 0.00 173.24 175.09 1s1i s ALA 14 N -1.34 0.36 0.00 5.32 0.00 -1.26 -4.64 121.76 120.21 1s1i s ALA 14 Ca 0.26 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1s1i s ALA 14 Cb -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1s1i s ALA 14 CO 0.18 0.03 0.25 0.45 0.00 0.00 0.00 175.76 176.68 1s1i s SER 15 N 0.34 -0.10 -0.03 0.00 0.15 -1.24 -4.09 113.70 108.73 1s1i s SER 15 Ca -0.03 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 1s1i s SER 15 Cb -0.07 0.29 0.07 0.00 -1.71 0.00 0.00 66.02 64.60 1s1i s SER 15 CO -0.01 -0.47 0.68 0.00 1.20 0.00 0.00 173.24 174.64 1s1i s ALA 16 N -1.67 -1.76 0.28 5.45 0.00 -1.26 -4.93 121.76 117.88 1s1i s ALA 16 Ca -0.12 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 1s1i s ALA 16 Cb -0.05 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1s1i s ALA 16 CO 0.02 -0.41 0.62 1.03 0.00 0.00 0.00 175.76 177.01 1s1i s ARG 17 N -1.46 1.74 0.48 0.00 1.81 -1.26 -4.10 118.95 116.16 1s1i s ARG 17 Ca -0.10 -1.18 -0.20 0.00 -1.72 0.00 0.00 55.73 52.54 1s1i s ARG 17 Cb -0.00 0.55 -0.09 0.00 -0.45 0.00 0.00 34.95 34.96 1s1i s ARG 17 CO 0.07 -0.77 1.02 0.20 -0.68 0.00 0.00 175.30 175.14 1s1i s GLY 18 N -2.99 2.46 0.00 -3.53 0.00 -1.22 -4.90 107.32 97.14 1s1i s GLY 18 Ca 0.17 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1s1i s GLY 18 CO 0.09 0.86 0.00 1.44 0.00 0.00 0.00 173.10 175.48 1s1i n SER 19 N -0.96 0.00 -4.67 1.64 7.64 -1.26 -1.60 113.62 114.41 1s1i n SER 19 Ca 0.09 -0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 1s1i n SER 19 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1s1i n SER 19 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1s1i s TYR 20 N 1.30 2.20 0.65 1.43 -0.85 -1.19 -3.98 117.35 116.90 1s1i s TYR 20 Ca 0.00 0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.87 1s1i s TYR 20 Cb 0.00 -3.91 0.10 0.00 0.38 0.00 0.00 41.96 38.53 1s1i s TYR 20 CO 0.00 -3.72 0.89 -0.51 -1.52 0.00 0.00 175.55 170.70 1s1i s LEU 21 N 3.43 3.08 -0.16 -3.49 1.43 0.11 -4.69 118.68 118.40 1s1i s LEU 21 Ca 0.73 -0.42 0.16 0.00 -1.03 0.00 0.00 54.13 53.56 1s1i s LEU 21 Cb -0.35 -2.07 0.60 0.00 0.03 0.00 0.00 46.19 44.40 1s1i s LEU 21 CO 0.30 -1.58 1.51 0.54 0.23 0.00 0.00 176.35 177.35 1s1i n ARG 22 N -2.58 3.53 -2.44 1.70 1.74 -1.26 -2.53 116.66 114.82 1s1i n ARG 22 Ca 0.14 -2.82 -0.24 0.00 -0.77 0.00 0.00 57.85 54.15 1s1i n ARG 22 Cb 0.61 -1.88 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 1s1i n ARG 22 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s1i s VAL 23 N -2.40 2.85 0.51 1.55 0.11 -1.26 -4.67 120.40 117.09 1s1i s VAL 23 Ca 0.44 -0.34 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 1s1i s VAL 23 Cb 0.33 -3.15 -0.06 0.00 -1.53 0.00 0.00 36.38 31.97 1s1i s VAL 23 CO 0.14 -0.14 1.37 -0.44 -3.33 0.00 0.00 175.10 172.71 1s1i s SER 24 N -4.42 5.54 -0.19 3.54 0.01 -1.26 -4.50 113.70 112.42 1s1i s SER 24 Ca 0.57 2.79 -0.04 0.00 1.31 0.00 0.00 55.95 60.58 1s1i s SER 24 Cb -0.11 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1s1i s SER 24 CO 0.42 -1.39 -0.03 0.12 0.41 0.00 0.00 173.24 172.77 1s1i s PHE 25 N -1.28 3.00 0.00 2.43 5.36 -1.26 -4.33 117.98 121.89 1s1i s PHE 25 Ca 0.67 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 1s1i s PHE 25 Cb -0.41 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1s1i s PHE 25 CO 0.50 -0.26 0.00 0.36 -1.46 0.00 0.00 175.22 174.36 1s1i n LYS 26 N 4.14 0.00 -1.24 10.12 2.85 -1.26 -4.89 118.16 127.89 1s1i n LYS 26 Ca -0.17 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.00 1s1i n LYS 26 Cb 0.52 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.86 1s1i n LYS 26 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1s1i n ASN 27 N 0.00 -5.36 0.00 -5.58 5.03 -1.26 -4.28 115.26 103.81 1s1i n ASN 27 Ca 0.00 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1s1i n ASN 27 Cb 0.00 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.17 1s1i n ASN 27 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1s1i n THR 28 N -2.31 0.00 -0.02 3.41 5.66 -1.26 -4.43 114.28 115.34 1s1i n THR 28 Ca -0.08 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.74 1s1i n THR 28 Cb 0.50 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.20 1s1i n THR 28 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1s1i h ARG 29 N 0.00 0.72 -0.10 1.09 3.08 -1.86 -3.33 114.38 113.98 1s1i h ARG 29 Ca 0.00 -0.60 -0.03 0.00 0.07 0.00 0.00 59.98 59.42 1s1i h ARG 29 Cb 0.00 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1s1i h ARG 29 CO 0.00 1.21 -0.06 1.05 -1.07 0.00 0.00 179.97 181.10 1s1i h GLU 30 N 0.42 0.22 -7.09 0.04 -0.00 -1.88 -3.38 114.58 102.90 1s1i h GLU 30 Ca -0.05 -0.10 -0.49 0.00 -0.00 0.00 0.00 59.36 58.71 1s1i h GLU 30 Cb 1.36 -0.00 0.06 0.00 -0.00 0.00 0.00 28.75 30.17 1s1i h GLU 30 CO 0.15 0.60 0.42 -0.08 -0.00 0.00 0.00 179.01 180.09 1s1i s THR 31 N -4.47 3.34 0.28 -1.06 -1.32 -1.25 -3.64 115.64 107.51 1s1i s THR 31 Ca -0.15 0.81 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 1s1i s THR 31 Cb 0.04 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 1s1i s THR 31 CO 0.72 -0.20 0.00 0.00 -2.21 0.00 0.00 174.62 172.93 1s1i n ALA 32 N -1.31 -1.93 -3.06 11.08 0.00 -1.26 -4.42 120.51 119.61 1s1i n ALA 32 Ca 0.11 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 1s1i n ALA 32 Cb 0.51 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.99 1s1i n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1s1i n GLN 33 N -0.71 -5.07 0.00 0.00 3.00 -1.26 -4.72 117.38 108.61 1s1i n GLN 33 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1s1i n GLN 33 Cb 0.00 -5.79 0.00 0.00 0.00 0.00 0.00 30.24 24.45 1s1i n GLN 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s1i n ALA 34 N -3.64 0.00 -2.05 -1.58 0.00 -1.24 -4.86 120.51 107.14 1s1i n ALA 34 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1s1i n ALA 34 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1s1i n ALA 34 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1s1i n ILE 35 N 0.00 3.83 -5.20 0.00 -0.00 -1.26 -4.78 119.36 111.94 1s1i n ILE 35 Ca 0.00 -3.64 -0.30 0.00 -0.00 0.00 0.00 62.75 58.81 1s1i n ILE 35 Cb 0.00 -2.50 -0.16 0.00 -0.00 0.00 0.00 39.64 36.98 1s1i n ILE 35 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1s1i s ASN 36 N 2.47 2.86 -0.14 7.28 4.22 -1.26 -4.44 114.94 125.94 1s1i s ASN 36 Ca 0.45 -0.45 0.00 0.00 -2.14 0.00 0.00 52.86 50.72 1s1i s ASN 36 Cb 0.11 -0.47 0.00 0.00 1.28 0.00 0.00 41.25 42.17 1s1i s ASN 36 CO -0.04 0.28 0.00 0.61 -2.04 0.00 0.00 177.10 175.90 1s1i n GLY 37 N 2.64 0.49 3.69 0.45 0.00 -0.91 -4.91 105.19 106.64 1s1i n GLY 37 Ca -0.16 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1s1i n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s1i s TRP 38 N -2.04 2.63 0.22 1.61 0.52 -1.26 -4.85 118.94 115.77 1s1i s TRP 38 Ca 0.00 -0.43 0.22 0.00 0.02 0.00 0.00 56.10 55.91 1s1i s TRP 38 Cb 0.00 -1.61 0.92 0.00 -1.15 0.00 0.00 33.47 31.63 1s1i s TRP 38 CO 0.00 0.38 1.84 1.05 0.02 0.00 0.00 176.95 180.24 1s1i h GLU 39 N 1.65 0.00 0.00 4.98 4.11 -1.88 -0.23 114.58 123.20 1s1i h GLU 39 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1s1i h GLU 39 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1s1i h GLU 39 CO 0.66 0.27 0.00 1.47 0.07 0.00 0.00 179.01 181.48 1s1i n LEU 40 N -3.54 0.00 -0.23 3.06 -0.00 -1.26 -3.86 117.00 111.17 1s1i n LEU 40 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 1s1i n LEU 40 Cb 0.42 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.93 1s1i n LEU 40 CO 0.34 0.00 0.45 0.41 -0.00 0.00 0.00 177.39 178.59 1s1i n THR 41 N -2.00 1.18 -0.00 1.47 -1.04 -1.26 -4.45 114.28 108.17 1s1i n THR 41 Ca 0.00 -1.42 -0.04 0.00 -2.04 0.00 0.00 64.05 60.55 1s1i n THR 41 Cb 0.00 0.04 -0.01 0.00 -1.82 0.00 0.00 70.33 68.54 1s1i n THR 41 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1s1i n LYS 42 N -0.90 0.13 -2.88 -2.82 3.00 -1.26 -4.56 118.16 108.87 1s1i n LYS 42 Ca 0.10 0.06 -0.44 0.00 -0.00 0.00 0.00 58.31 58.03 1s1i n LYS 42 Cb 0.66 -0.73 -0.01 0.00 0.00 0.00 0.00 35.03 34.95 1s1i n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i s ALA 43 N -2.18 3.66 0.00 3.14 0.00 -1.26 -1.95 121.76 123.16 1s1i s ALA 43 Ca -0.08 -3.07 0.00 0.00 0.00 0.00 0.00 51.96 48.82 1s1i s ALA 43 Cb 0.02 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1s1i s ALA 43 CO 0.11 -2.94 0.00 0.00 0.00 0.00 0.00 175.76 172.93 1s1i n GLN 44 N 6.38 0.00 -1.16 0.00 10.64 -1.26 -4.36 117.38 127.62 1s1i n GLN 44 Ca 0.33 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 55.31 1s1i n GLN 44 Cb 0.46 0.00 0.20 0.00 -0.86 0.00 0.00 30.24 30.04 1s1i n GLN 44 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1s1i n LYS 45 N -0.34 2.49 -4.39 2.61 2.85 -1.11 -4.17 118.16 116.10 1s1i n LYS 45 Ca 0.00 -3.04 -0.19 0.00 -1.05 0.00 0.00 58.31 54.03 1s1i n LYS 45 Cb 0.00 -2.16 -0.10 0.00 -0.65 0.00 0.00 35.03 32.12 1s1i n LYS 45 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1s1i s TYR 46 N -3.24 1.78 0.00 5.58 6.14 -0.82 -4.45 117.35 122.34 1s1i s TYR 46 Ca 0.56 -1.02 0.00 0.00 0.64 0.00 0.00 57.07 57.25 1s1i s TYR 46 Cb 0.47 -1.11 0.00 0.00 0.42 0.00 0.00 41.96 41.73 1s1i s TYR 46 CO 0.11 -0.10 0.00 1.28 0.64 0.00 0.00 175.55 177.48 1s1i n LEU 47 N -0.58 0.00 -0.16 6.97 7.99 -1.26 -4.28 117.00 125.68 1s1i n LEU 47 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.94 1s1i n LEU 47 Cb 0.66 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 44.13 1s1i n LEU 47 CO 0.40 0.00 0.97 -0.33 -1.51 0.00 0.00 177.39 176.92 1s1i h GLU 48 N 0.00 0.90 -0.74 3.23 3.07 -1.84 0.99 114.58 120.18 1s1i h GLU 48 Ca 0.00 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 1s1i h GLU 48 Cb 0.00 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1s1i h GLU 48 CO 0.00 0.81 0.38 0.37 -1.40 0.00 0.00 179.01 179.17 1s1i h GLN 49 N 0.86 1.05 0.02 2.33 5.75 -1.78 0.36 115.11 123.71 1s1i h GLN 49 Ca 0.19 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1s1i h GLN 49 Cb 0.32 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1s1i h GLN 49 CO 0.00 0.80 -0.01 0.28 -2.65 0.00 0.00 178.83 177.25 1s1i h VAL 50 N 1.03 1.04 -0.78 2.39 2.07 -0.05 0.59 116.25 122.53 1s1i h VAL 50 Ca 0.26 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1s1i h VAL 50 Cb 0.08 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1s1i h VAL 50 CO -0.04 0.05 0.37 0.25 0.02 0.00 0.00 177.57 178.22 1s1i h LEU 51 N -0.11 1.02 -2.19 2.57 6.46 0.13 0.72 115.31 123.91 1s1i h LEU 51 Ca -0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1s1i h LEU 51 Cb 0.10 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1s1i h LEU 51 CO 0.01 0.86 0.00 -0.78 -0.62 0.00 0.00 178.44 177.91 1s1i h ASP 52 N 1.12 0.00 -0.18 1.25 3.58 0.16 -3.45 116.42 118.90 1s1i h ASP 52 Ca 0.27 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.64 1s1i h ASP 52 Cb 0.12 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1s1i h ASP 52 CO -0.03 0.00 -0.07 1.41 -2.88 0.00 0.00 179.24 177.67 1s1i n HIS 53 N -2.91 0.00 -0.05 0.28 8.25 0.25 -4.90 115.22 116.14 1s1i n HIS 53 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1s1i n HIS 53 Cb 0.14 -1.07 -0.07 0.00 1.12 0.00 0.00 29.99 30.12 1s1i n HIS 53 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1s1i h GLN 54 N 0.28 0.61 -6.39 -0.41 5.75 -0.07 -3.46 115.11 111.41 1s1i h GLN 54 Ca -0.08 -0.43 -0.62 0.00 -0.15 0.00 0.00 58.65 57.38 1s1i h GLN 54 Cb 0.36 0.07 -0.15 0.00 1.07 0.00 0.00 27.48 28.83 1s1i h GLN 54 CO 0.11 1.05 -0.75 0.50 -2.65 0.00 0.00 178.83 177.09 1s1i s ARG 55 N -3.92 1.84 0.09 1.69 6.06 -0.95 -4.29 118.95 119.48 1s1i s ARG 55 Ca -0.12 -1.50 0.10 0.00 -2.50 0.00 0.00 55.73 51.70 1s1i s ARG 55 Cb 0.07 -1.96 -0.04 0.00 0.06 0.00 0.00 34.95 33.08 1s1i s ARG 55 CO 0.83 0.39 -0.24 0.00 -2.50 0.00 0.00 175.30 173.78 1s1i s ALA 56 N -2.01 2.45 -0.36 6.12 0.00 -1.19 -4.07 121.76 122.70 1s1i s ALA 56 Ca 0.26 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1s1i s ALA 56 Cb -0.07 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.58 1s1i s ALA 56 CO 0.14 0.56 0.15 0.96 0.00 0.00 0.00 175.76 177.57 1s1i s ILE 57 N -0.99 3.95 0.13 0.00 -4.36 -0.86 -4.47 121.20 114.61 1s1i s ILE 57 Ca 0.14 -1.18 -0.34 0.00 -0.26 0.00 0.00 60.65 59.01 1s1i s ILE 57 Cb -0.10 -3.28 -0.14 0.00 1.25 0.00 0.00 42.46 40.18 1s1i s ILE 57 CO 0.06 -0.27 1.54 -2.65 0.24 0.00 0.00 174.94 173.87 1s1i n PRO 58 N 4.85 1.94 -4.79 0.37 -0.02 -1.26 -3.32 135.00 132.76 1s1i n PRO 58 Ca -0.11 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1s1i n PRO 58 Cb 0.44 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 1s1i n PRO 58 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1s1i s PHE 59 N 0.97 2.76 0.14 6.00 -0.12 -1.00 -4.92 117.98 121.81 1s1i s PHE 59 Ca 0.81 -0.82 0.11 0.00 -0.05 0.00 0.00 56.93 56.97 1s1i s PHE 59 Cb -0.74 -1.83 -0.04 0.00 -0.63 0.00 0.00 43.02 39.78 1s1i s PHE 59 CO 0.40 -0.32 -0.25 0.50 -0.05 0.00 0.00 175.22 175.50 1s1i s ARG 60 N 0.47 1.40 -1.25 1.99 3.00 -1.26 -4.50 118.95 118.80 1s1i s ARG 60 Ca -0.11 -1.37 -0.01 0.00 -1.00 0.00 0.00 55.73 53.24 1s1i s ARG 60 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 34.95 32.97 1s1i s ARG 60 CO 0.05 0.42 0.93 0.54 0.00 0.00 0.00 175.30 177.24 1s1i n ARG 61 N 0.76 -6.22 0.00 5.12 1.74 -1.26 -4.82 116.66 111.98 1s1i n ARG 61 Ca -0.17 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1s1i n ARG 61 Cb 0.54 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.31 1s1i n ARG 61 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1s1i n PHE 62 N -4.24 0.00 -1.43 -1.55 7.35 -1.26 -5.04 117.46 111.29 1s1i n PHE 62 Ca -0.27 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 55.94 1s1i n PHE 62 Cb 0.66 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.40 1s1i n PHE 62 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1s1i n ASN 63 N 0.00 1.60 0.10 -2.13 2.04 -1.26 -4.76 115.26 110.84 1s1i n ASN 63 Ca 0.00 0.30 -0.07 0.00 -0.44 0.00 0.00 54.58 54.38 1s1i n ASN 63 Cb 0.00 -1.18 -0.04 0.00 -2.53 0.00 0.00 39.78 36.03 1s1i n ASN 63 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1s1i h SER 64 N 12.64 -0.28 -1.72 0.53 0.02 -1.97 -3.46 113.55 119.30 1s1i h SER 64 Ca -0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1s1i h SER 64 Cb 1.33 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1s1i h SER 64 CO 1.11 0.20 0.00 -1.20 -1.14 0.00 0.00 176.83 175.80 1s1i n SER 65 N -5.00 0.00 -2.07 3.07 7.64 -1.26 -4.92 113.62 111.09 1s1i n SER 65 Ca -0.05 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1s1i n SER 65 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1s1i n SER 65 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1s1i n ILE 66 N -1.23-11.49 -3.14 0.44 -0.00 -1.26 -5.05 119.36 97.63 1s1i n ILE 66 Ca 0.00 2.89 0.04 0.00 -0.00 0.00 0.00 62.75 65.68 1s1i n ILE 66 Cb 0.00 -4.85 -0.00 0.00 -0.00 0.00 0.00 39.64 34.79 1s1i n ILE 66 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1s1i s GLY 67 N -0.45 -1.19 0.00 3.28 0.00 -1.26 -4.69 107.32 103.01 1s1i s GLY 67 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1s1i s GLY 67 CO 0.00 3.83 0.00 -0.96 0.00 0.00 0.00 173.10 175.97 1s1i n ARG 68 N 5.15 0.00 -3.70 2.90 1.85 -1.26 -4.83 116.66 116.77 1s1i n ARG 68 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.83 1s1i n ARG 68 Cb 0.56 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.94 1s1i n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1s1i s THR 69 N -0.19 0.01 0.24 8.89 2.01 -1.26 -4.00 115.64 121.32 1s1i s THR 69 Ca 0.00 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1s1i s THR 69 Cb 0.00 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1s1i s THR 69 CO 0.00 -0.03 -0.13 0.00 -0.69 0.00 0.00 174.62 173.77 1s1i s ALA 70 N -3.86 2.22 0.48 7.40 0.00 -1.26 -4.98 121.76 121.75 1s1i s ALA 70 Ca 0.08 -1.76 0.24 0.00 0.00 0.00 0.00 51.96 50.53 1s1i s ALA 70 Cb -0.03 -0.05 1.44 0.00 0.00 0.00 0.00 23.12 24.48 1s1i s ALA 70 CO -0.02 0.07 2.11 1.96 0.00 0.00 0.00 175.76 179.88 1s1i h GLN 71 N 2.44 0.00 -0.77 0.00 1.08 -1.94 0.86 115.11 116.77 1s1i h GLN 71 Ca -0.39 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 56.95 1s1i h GLN 71 Cb 1.23 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.61 1s1i h GLN 71 CO 0.63 0.10 0.51 0.78 -0.95 0.00 0.00 178.83 179.90 1s1i h GLY 72 N 0.50 0.82 -4.72 3.46 0.00 -1.95 -0.75 103.07 100.43 1s1i h GLY 72 Ca -0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 47.33 46.68 1s1i h GLY 72 CO 0.01 0.08 -0.98 0.58 0.00 0.00 0.00 176.54 176.23 1s1i n LYS 73 N -4.50 2.37 -3.59 4.80 0.00 0.18 -4.45 118.16 112.97 1s1i n LYS 73 Ca 0.14 -3.83 -0.05 0.00 -0.00 0.00 0.00 58.31 54.58 1s1i n LYS 73 Cb 0.49 -1.80 -0.02 0.00 -0.00 0.00 0.00 35.03 33.69 1s1i n LYS 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1s1i s GLU 74 N -3.48 0.37 0.26 -1.58 -6.30 0.24 -3.14 118.70 105.07 1s1i s GLU 74 Ca 0.37 -0.10 0.04 0.00 -2.50 0.00 0.00 54.97 52.78 1s1i s GLU 74 Cb 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 34.13 34.69 1s1i s GLU 74 CO -0.04 -0.16 0.13 1.97 0.02 0.00 0.00 175.26 177.18 1s1i n PHE 75 N 0.02 -0.10 -1.53 5.30 -1.74 -1.26 -3.77 117.46 114.38 1s1i n PHE 75 Ca -0.02 -1.81 -0.39 0.00 -0.56 0.00 0.00 57.45 54.67 1s1i n PHE 75 Cb 0.59 0.06 -0.06 0.00 1.52 0.00 0.00 39.48 41.58 1s1i n PHE 75 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1s1i n GLY 76 N 0.01 0.13 1.71 4.97 0.00 -1.26 -4.68 105.19 106.07 1s1i n GLY 76 Ca -0.01 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1s1i n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s1i n VAL 77 N 7.80 0.00 0.00 1.61 0.24 -1.26 -5.18 118.33 121.55 1s1i n VAL 77 Ca 0.43 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 1s1i n VAL 77 Cb 0.40 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1s1i n VAL 77 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1s1i n THR 78 N -0.36 0.00 -1.73 3.34 -2.24 -1.26 -5.01 114.28 107.02 1s1i n THR 78 Ca 0.01 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 1s1i n THR 78 Cb 0.25 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1s1i n THR 78 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1s1i s LYS 79 N 4.12 3.24 0.13 -0.78 -2.85 -1.26 -4.54 119.74 117.80 1s1i s LYS 79 Ca 0.00 0.83 -0.13 0.00 -1.00 0.00 0.00 55.97 55.67 1s1i s LYS 79 Cb 0.00 -2.03 0.02 0.00 -2.06 0.00 0.00 37.83 33.75 1s1i s LYS 79 CO 0.00 -0.85 0.34 0.00 0.10 0.00 0.00 175.35 174.94 1s1i s ALA 80 N -3.13 -0.59 0.00 0.59 0.00 -1.26 -2.36 121.76 115.02 1s1i s ALA 80 Ca 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1s1i s ALA 80 Cb -0.12 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1s1i s ALA 80 CO 0.54 -0.63 0.00 2.89 0.00 0.00 0.00 175.76 178.57 1s1i n ARG 81 N -0.19 0.00 0.00 0.00 0.00 -1.21 -4.80 116.66 110.46 1s1i n ARG 81 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1s1i n ARG 81 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.09 1s1i n ARG 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1s1i n TRP 82 N 0.00 0.00 -2.90 2.89 8.01 -1.26 -2.02 117.44 122.16 1s1i n TRP 82 Ca 0.00 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.90 1s1i n TRP 82 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 1s1i n TRP 82 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1s1i s PRO 83 N 0.03 3.71 0.64 -0.99 0.02 -1.26 -4.31 135.00 132.85 1s1i s PRO 83 Ca 0.00 0.34 -0.04 0.00 0.02 0.00 0.00 61.00 61.32 1s1i s PRO 83 Cb 0.00 -2.43 0.05 0.00 0.02 0.00 0.00 34.50 32.14 1s1i s PRO 83 CO 0.00 -0.02 0.92 0.00 -0.33 0.00 0.00 177.00 177.57 1s1i s ALA 84 N -2.39 3.42 0.00 -1.55 0.00 -1.26 -3.21 121.76 116.77 1s1i s ALA 84 Ca 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1s1i s ALA 84 Cb -0.10 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1s1i s ALA 84 CO 0.34 -1.08 0.00 1.63 0.00 0.00 0.00 175.76 176.64 1s1i n LYS 85 N -2.70 0.00 0.02 0.00 4.01 -1.26 -4.24 118.16 113.99 1s1i n LYS 85 Ca 0.08 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.69 1s1i n LYS 85 Cb 0.60 -0.03 -0.10 0.00 -0.51 0.00 0.00 35.03 35.00 1s1i n LYS 85 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1s1i h SER 86 N 0.00 0.87 -3.39 4.39 4.64 -1.84 -3.38 113.55 114.84 1s1i h SER 86 Ca 0.00 -0.72 -0.58 0.00 -0.47 0.00 0.00 61.79 60.02 1s1i h SER 86 Cb 0.00 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 61.74 1s1i h SER 86 CO 0.00 1.47 0.05 -0.69 -0.87 0.00 0.00 176.83 176.78 1s1i s VAL 87 N -3.41 5.07 0.00 0.95 1.01 -1.20 -3.82 120.40 119.01 1s1i s VAL 87 Ca -0.10 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1s1i s VAL 87 Cb 0.07 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1s1i s VAL 87 CO 0.91 0.19 0.00 1.17 0.00 0.00 0.00 175.10 177.36 1s1i n LYS 88 N 4.50 0.00 -1.92 2.72 0.00 -1.26 -4.48 118.16 117.72 1s1i n LYS 88 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.08 1s1i n LYS 88 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.48 1s1i n LYS 88 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1s1i n PHE 89 N 1.26 -0.41 0.14 5.64 3.72 -1.26 -4.41 117.46 122.14 1s1i n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s1i n PHE 89 Cb 0.00 -3.54 0.00 0.00 -0.94 0.00 0.00 39.48 35.00 1s1i n PHE 89 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1s1i n VAL 90 N -3.12 0.00 -2.01 -4.37 0.31 -1.25 -4.73 118.33 103.16 1s1i n VAL 90 Ca -0.21 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 1s1i n VAL 90 Cb 0.66 -0.48 -0.03 0.00 -0.91 0.00 0.00 33.84 33.08 1s1i n VAL 90 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1s1i s GLN 91 N -2.00 4.26 0.00 5.55 -0.44 -1.26 0.18 119.66 125.95 1s1i s GLN 91 Ca 0.00 2.28 0.00 0.00 -2.50 0.00 0.00 55.36 55.14 1s1i s GLN 91 Cb 0.00 -3.15 0.00 0.00 -1.64 0.00 0.00 33.01 28.22 1s1i s GLN 91 CO 0.00 -0.48 0.00 0.41 0.50 0.00 0.00 175.29 175.72 1s1i n GLY 92 N 2.89 3.25 0.22 2.59 0.00 -1.26 -4.47 105.19 108.41 1s1i n GLY 92 Ca 0.10 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1s1i n GLY 92 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1s1i h LEU 93 N 0.00 0.78 -0.17 0.99 8.10 -0.54 -2.81 115.31 121.66 1s1i h LEU 93 Ca 0.00 -0.44 -0.18 0.00 0.11 0.00 0.00 57.88 57.37 1s1i h LEU 93 Cb 0.00 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 39.97 1s1i h LEU 93 CO 0.00 1.21 -0.84 0.17 -4.11 0.00 0.00 178.44 174.86 1s1i h LEU 94 N 0.52 0.00 0.17 0.17 -0.00 -0.90 -3.32 115.31 111.95 1s1i h LEU 94 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1s1i h LEU 94 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1s1i h LEU 94 CO 0.12 0.84 -0.08 -0.61 -0.00 0.00 0.00 178.44 178.71 1s1i h GLN 95 N 0.00 -0.22 -7.16 0.17 5.75 -1.78 -3.36 115.11 108.50 1s1i h GLN 95 Ca -0.01 0.02 -0.52 0.00 -0.15 0.00 0.00 58.65 57.99 1s1i h GLN 95 Cb 1.57 0.05 0.11 0.00 1.07 0.00 0.00 27.48 30.28 1s1i h GLN 95 CO 0.11 0.04 0.40 1.21 -2.65 0.00 0.00 178.83 177.94 1s1i s ASN 96 N -5.21 4.97 -0.40 -0.69 3.84 -1.07 -2.89 114.94 113.49 1s1i s ASN 96 Ca -0.15 2.17 -0.12 0.00 0.21 0.00 0.00 52.86 54.97 1s1i s ASN 96 Cb 0.03 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1s1i s ASN 96 CO 0.62 -1.73 0.45 0.00 -2.79 0.00 0.00 177.10 173.64 1s1i n ALA 97 N -2.22 -3.11 0.00 1.71 0.00 -1.26 -4.68 120.51 110.94 1s1i n ALA 97 Ca 0.12 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.55 1s1i n ALA 97 Cb 0.51 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1s1i n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 98 N -0.03 0.00 -0.39 0.00 0.00 -1.24 -4.60 120.51 114.25 1s1i n ALA 98 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1s1i n ALA 98 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1s1i n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 99 N 0.61 0.00 0.22 0.00 0.00 -1.14 -3.03 120.51 117.17 1s1i n ALA 99 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1s1i n ALA 99 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 1s1i n ALA 99 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1s1i h ASN 100 N 0.00 0.00 -0.19 0.00 -1.07 -1.91 0.70 115.58 113.11 1s1i h ASN 100 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1s1i h ASN 100 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1s1i h ASN 100 CO 0.00 0.00 0.10 0.00 0.07 0.00 0.00 177.43 177.60 1s1i h ALA 101 N 1.89 0.24 -0.21 4.14 0.00 -1.86 -3.00 119.26 120.46 1s1i h ALA 101 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1s1i h ALA 101 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s1i h ALA 101 CO -0.00 -0.22 -0.10 1.49 0.00 0.00 0.00 179.25 180.42 1s1i h GLU 102 N 0.20 0.33 -0.64 0.00 4.22 0.28 -1.71 114.58 117.26 1s1i h GLU 102 Ca 0.07 -0.08 0.04 0.00 0.08 0.00 0.00 59.36 59.47 1s1i h GLU 102 Cb 0.07 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1s1i h GLU 102 CO -0.01 0.44 0.38 0.00 -2.18 0.00 0.00 179.01 177.64 1s1i h ALA 103 N 1.59 0.85 -2.61 2.92 0.00 -1.11 -3.33 119.26 117.56 1s1i h ALA 103 Ca 0.07 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.49 1s1i h ALA 103 Cb 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s1i h ALA 103 CO 0.02 0.10 0.39 0.21 0.00 0.00 0.00 179.25 179.97 1s1i s LYS 104 N -6.11 4.58 -0.45 0.00 2.36 -0.64 -4.89 119.74 114.58 1s1i s LYS 104 Ca -0.13 1.50 -0.28 0.00 -2.55 0.00 0.00 55.97 54.52 1s1i s LYS 104 Cb 0.15 -2.94 -0.02 0.00 -1.05 0.00 0.00 37.83 33.97 1s1i s LYS 104 CO 0.76 0.24 1.84 0.20 1.55 0.00 0.00 175.35 179.93 1s1i s GLY 105 N -1.35 0.52 -0.28 5.54 0.00 -1.25 -4.82 107.32 105.67 1s1i s GLY 105 Ca 0.48 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.84 1s1i s GLY 105 CO 0.30 3.35 1.05 0.48 0.00 0.00 0.00 173.10 178.28 1s1i s LEU 106 N 7.94 -0.43 0.01 0.66 -0.00 -1.26 -5.04 118.68 120.56 1s1i s LEU 106 Ca 0.75 0.83 -0.30 0.00 -0.00 0.00 0.00 54.13 55.41 1s1i s LEU 106 Cb -0.18 1.85 -0.07 0.00 -0.00 0.00 0.00 46.19 47.79 1s1i s LEU 106 CO 0.28 -0.15 1.63 -1.81 -0.00 0.00 0.00 176.35 176.31 1s1i s ASP 107 N 0.20 6.65 0.16 1.48 1.01 -1.26 -3.74 116.67 121.17 1s1i s ASP 107 Ca 0.03 2.35 -0.12 0.00 0.71 0.00 0.00 52.55 55.52 1s1i s ASP 107 Cb -0.05 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.37 1s1i s ASP 107 CO -0.07 -0.89 1.65 0.00 0.21 0.00 0.00 175.17 176.08 1s1i h ALA 108 N 8.83 0.70 -2.26 5.23 0.00 -1.94 -3.38 119.26 126.44 1s1i h ALA 108 Ca -0.41 -0.23 -0.45 0.00 0.00 0.00 0.00 54.91 53.82 1s1i h ALA 108 Cb 1.19 -0.20 0.18 0.00 0.00 0.00 0.00 17.79 18.96 1s1i h ALA 108 CO 0.94 0.43 0.11 0.99 0.00 0.00 0.00 179.25 181.71 1s1i s THR 109 N -5.25 2.04 0.00 0.00 2.01 -1.26 -4.43 115.64 108.75 1s1i s THR 109 Ca -0.13 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1s1i s THR 109 Cb 0.12 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1s1i s THR 109 CO 0.81 -0.02 0.00 2.29 -0.69 0.00 0.00 174.62 177.01 1s1i n LYS 110 N -4.53 0.00 -3.07 4.92 0.00 -1.25 -4.93 118.16 109.31 1s1i n LYS 110 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.22 1s1i n LYS 110 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.60 1s1i n LYS 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1s1i n LEU 111 N 0.00 -6.38 -4.76 -5.58 4.32 -1.26 -4.51 117.00 98.83 1s1i n LEU 111 Ca 0.00 0.21 -0.41 0.00 -0.02 0.00 0.00 56.01 55.79 1s1i n LEU 111 Cb 0.00 -2.95 -0.02 0.00 -1.62 0.00 0.00 43.42 38.83 1s1i n LEU 111 CO 0.00 -1.55 1.06 -0.31 -1.22 0.00 0.00 177.39 175.37 1s1i s TYR 112 N -2.48 2.96 -0.36 -1.77 2.02 -1.25 -4.56 117.35 111.90 1s1i s TYR 112 Ca 0.22 1.21 -0.28 0.00 -0.37 0.00 0.00 57.07 57.85 1s1i s TYR 112 Cb -0.05 -3.80 -0.02 0.00 -0.40 0.00 0.00 41.96 37.69 1s1i s TYR 112 CO 0.79 -2.40 1.88 0.54 -1.57 0.00 0.00 175.55 174.80 1s1i s VAL 113 N -0.66 3.39 -0.01 0.71 0.11 -0.10 -3.92 120.40 119.91 1s1i s VAL 113 Ca 0.54 0.37 -0.25 0.00 -2.93 0.00 0.00 61.98 59.71 1s1i s VAL 113 Cb -0.42 -3.58 -0.18 0.00 -1.53 0.00 0.00 36.38 30.67 1s1i s VAL 113 CO 0.51 -0.41 1.21 -1.28 -3.33 0.00 0.00 175.10 171.81 1s1i h SER 114 N 13.69 -0.12 -4.28 3.54 0.87 -1.90 -2.41 113.55 122.95 1s1i h SER 114 Ca -0.33 -0.37 -0.38 0.00 -1.23 0.00 0.00 61.79 59.48 1s1i h SER 114 Cb 1.18 0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 1s1i h SER 114 CO 1.05 0.33 -0.61 -2.28 -0.53 0.00 0.00 176.83 174.79 1s1i s HIS 115 N -4.30 1.62 0.00 2.24 2.46 -1.26 -4.73 115.29 111.31 1s1i s HIS 115 Ca -0.15 -1.16 0.00 0.00 0.47 0.00 0.00 55.06 54.22 1s1i s HIS 115 Cb 0.02 -0.97 0.00 0.00 -0.13 0.00 0.00 32.58 31.50 1s1i s HIS 115 CO 0.61 -0.29 0.00 0.44 -2.47 0.00 0.00 174.74 173.03 1s1i n ILE 116 N -0.52 0.00 -2.97 0.89 -0.00 -1.26 -3.03 119.36 112.47 1s1i n ILE 116 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1s1i n ILE 116 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.30 1s1i n ILE 116 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1s1i n GLN 117 N 0.00 0.00 0.00 6.28 0.00 -1.11 -4.73 117.38 117.82 1s1i n GLN 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1s1i n GLN 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1s1i n GLN 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1s1i n VAL 118 N 0.00 0.00 -3.00 -0.39 3.14 -1.26 -4.83 118.33 111.99 1s1i n VAL 118 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1s1i n VAL 118 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1s1i n VAL 118 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1s1i n ASN 119 N 0.00 -6.22 -4.75 6.55 6.94 -1.26 -3.96 115.26 112.56 1s1i n ASN 119 Ca 0.00 0.96 -0.41 0.00 -0.02 0.00 0.00 54.58 55.11 1s1i n ASN 119 Cb 0.00 -2.37 -0.02 0.00 -2.36 0.00 0.00 39.78 35.04 1s1i n ASN 119 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1s1i s GLN 120 N -0.35 4.20 0.52 -3.83 -0.21 -1.26 -2.48 119.66 116.25 1s1i s GLN 120 Ca -0.05 2.43 0.08 0.00 0.02 0.00 0.00 55.36 57.84 1s1i s GLN 120 Cb 0.00 -3.06 0.05 0.00 1.00 0.00 0.00 33.01 31.01 1s1i s GLN 120 CO 0.17 -0.49 0.62 0.00 -2.12 0.00 0.00 175.29 173.47 1s1i s ALA 121 N -0.26 4.54 0.50 6.09 0.00 -0.92 -4.88 121.76 126.84 1s1i s ALA 121 Ca 0.59 -1.85 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 1s1i s ALA 121 Cb -0.44 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1s1i s ALA 121 CO 0.49 -0.59 1.15 -1.25 0.00 0.00 0.00 175.76 175.56 1s1i s PRO 122 N -4.46 3.55 0.81 0.00 0.04 -1.26 -4.27 135.00 129.40 1s1i s PRO 122 Ca 0.53 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 1s1i s PRO 122 Cb -0.05 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.35 1s1i s PRO 122 CO 0.33 -0.71 1.10 -1.59 0.04 0.00 0.00 177.00 176.17 1s1i s LYS 123 N -2.98 2.01 0.60 4.56 0.00 -1.26 -4.37 119.74 118.29 1s1i s LYS 123 Ca 0.68 0.65 -0.10 0.00 0.00 0.00 0.00 55.97 57.20 1s1i s LYS 123 Cb -0.27 -1.91 0.14 0.00 0.00 0.00 0.00 37.83 35.80 1s1i s LYS 123 CO 0.31 -1.68 0.66 1.04 0.00 0.00 0.00 175.35 175.68 1s1i n GLN 124 N -3.47 -1.45 -1.89 1.78 1.13 -1.22 -4.93 117.38 107.33 1s1i n GLN 124 Ca 0.07 -1.03 -0.32 0.00 -1.94 0.00 0.00 57.00 53.78 1s1i n GLN 124 Cb 0.56 -0.82 0.03 0.00 0.11 0.00 0.00 30.24 30.12 1s1i n GLN 124 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1s1i s ARG 125 N -4.46 3.12 0.45 -1.09 0.52 -1.26 -4.85 118.95 111.38 1s1i s ARG 125 Ca 0.40 1.21 0.07 0.00 -0.52 0.00 0.00 55.73 56.89 1s1i s ARG 125 Cb -0.02 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 1s1i s ARG 125 CO 0.29 -0.97 0.40 -0.98 0.02 0.00 0.00 175.30 174.05 1s1i s ARG 126 N -4.24 2.46 0.33 3.54 3.03 -1.26 -4.35 118.95 118.45 1s1i s ARG 126 Ca 0.63 -1.64 0.06 0.00 2.03 0.00 0.00 55.73 56.82 1s1i s ARG 126 Cb -0.17 -2.32 -0.01 0.00 -1.03 0.00 0.00 34.95 31.42 1s1i s ARG 126 CO 0.41 -0.30 0.46 1.03 -1.13 0.00 0.00 175.30 175.77 1s1i s ARG 127 N -4.18 3.15 0.01 3.89 1.81 -0.68 -4.57 118.95 118.38 1s1i s ARG 127 Ca 0.46 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.50 1s1i s ARG 127 Cb -0.03 -2.83 -0.01 0.00 -0.45 0.00 0.00 34.95 31.63 1s1i s ARG 127 CO 0.27 0.10 -0.04 0.99 -0.68 0.00 0.00 175.30 175.94 1s1i s THR 128 N -2.16 0.31 0.00 0.02 2.01 -1.25 -3.46 115.64 111.11 1s1i s THR 128 Ca 0.44 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1s1i s THR 128 Cb -0.09 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1s1i s THR 128 CO 0.31 -0.10 0.00 0.00 -0.69 0.00 0.00 174.62 174.14 1s1i n TYR 129 N 2.47 0.00 -1.87 4.92 9.36 -1.26 -4.94 117.16 125.84 1s1i n TYR 129 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1s1i n TYR 129 Cb 0.57 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1s1i n TYR 129 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1s1i n ARG 130 N -0.49 3.95 0.00 2.98 1.85 -1.23 -3.71 116.66 120.01 1s1i n ARG 130 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1s1i n ARG 130 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1s1i n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s1i n ALA 131 N -3.00 0.00 -0.06 2.89 0.00 -1.26 -4.87 120.51 114.21 1s1i n ALA 131 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1s1i n ALA 131 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1s1i n ALA 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s1i h HIS 132 N 0.00 0.09 -0.09 0.00 -0.00 -2.07 -3.42 115.15 109.67 1s1i h HIS 132 Ca 0.00 0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.64 1s1i h HIS 132 Cb 0.00 -0.01 -0.18 0.00 -0.00 0.00 0.00 27.41 27.22 1s1i h HIS 132 CO 0.00 0.03 0.06 0.20 -0.00 0.00 0.00 177.93 178.22 1s1i s GLY 133 N -2.56 -0.90 0.00 5.26 0.00 -1.26 -5.17 107.32 102.68 1s1i s GLY 133 Ca -0.13 2.28 0.00 0.00 0.00 0.00 0.00 44.72 46.87 1s1i s GLY 133 CO 0.69 4.21 0.00 -2.13 0.00 0.00 0.00 173.10 175.87 1s1i n ARG 134 N 4.96 -1.10 -3.83 2.90 3.00 -1.26 -5.11 116.66 116.22 1s1i n ARG 134 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.83 1s1i n ARG 134 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.93 1s1i n ARG 134 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1s1i s ILE 135 N -2.00 0.03 -0.03 5.15 -5.25 -1.24 -3.52 121.20 114.34 1s1i s ILE 135 Ca 0.00 -0.25 0.02 0.00 -0.99 0.00 0.00 60.65 59.43 1s1i s ILE 135 Cb 0.00 -0.31 0.01 0.00 2.95 0.00 0.00 42.46 45.11 1s1i s ILE 135 CO 0.00 -0.14 -0.08 0.20 -1.79 0.00 0.00 174.94 173.14 1s1i s ASN 136 N -0.45 1.12 -0.00 4.36 -0.87 -1.25 -4.95 114.94 112.91 1s1i s ASN 136 Ca -0.05 -0.17 -0.30 0.00 -1.57 0.00 0.00 52.86 50.76 1s1i s ASN 136 Cb -0.04 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.25 40.77 1s1i s ASN 136 CO 0.01 0.03 1.24 -1.59 -2.57 0.00 0.00 177.10 174.22 1s1i s LYS 137 N 0.41 4.36 -0.25 -0.60 0.00 -1.23 -3.87 119.74 118.56 1s1i s LYS 137 Ca -0.06 1.77 0.03 0.00 0.00 0.00 0.00 55.97 57.70 1s1i s LYS 137 Cb -0.10 -3.49 0.06 0.00 0.00 0.00 0.00 37.83 34.30 1s1i s LYS 137 CO 0.01 -0.41 -0.11 -0.47 0.00 0.00 0.00 175.35 174.36 1s1i s TYR 138 N 1.87 3.19 -0.02 1.78 5.04 -1.22 -4.59 117.35 123.38 1s1i s TYR 138 Ca 0.59 -2.26 -0.30 0.00 -2.44 0.00 0.00 57.07 52.66 1s1i s TYR 138 Cb -0.28 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.23 1s1i s TYR 138 CO 0.25 -0.87 0.96 -2.00 -1.34 0.00 0.00 175.55 172.55 1s1i s GLU 139 N 1.13 0.76 0.32 4.97 2.56 -1.26 -1.69 118.70 125.48 1s1i s GLU 139 Ca -0.08 -0.30 0.06 0.00 0.00 0.00 0.00 54.97 54.66 1s1i s GLU 139 Cb -0.20 0.34 -0.02 0.00 2.00 0.00 0.00 34.13 36.25 1s1i s GLU 139 CO -0.05 -0.33 0.43 -1.54 -0.56 0.00 0.00 175.26 173.20 1s1i s SER 140 N -2.48 5.96 -0.19 -1.70 1.04 -1.26 -4.95 113.70 110.11 1s1i s SER 140 Ca 0.06 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 1s1i s SER 140 Cb -0.01 -1.32 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 1s1i s SER 140 CO -0.07 -0.35 0.24 -0.44 0.98 0.00 0.00 173.24 173.59 1s1i s SER 141 N -4.11 6.32 0.57 7.02 0.01 -1.26 -3.36 113.70 118.87 1s1i s SER 141 Ca 0.42 0.36 -0.15 0.00 1.31 0.00 0.00 55.95 57.90 1s1i s SER 141 Cb -0.09 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 1s1i s SER 141 CO 0.30 0.09 1.02 -2.16 0.41 0.00 0.00 173.24 172.90 1s1i s PRO 142 N 0.65 3.65 0.01 12.44 0.04 -1.25 -4.02 135.00 146.52 1s1i s PRO 142 Ca 0.13 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1s1i s PRO 142 Cb -0.13 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1s1i s PRO 142 CO 0.03 -0.52 -0.02 -1.54 0.04 0.00 0.00 177.00 174.98 1s1i s SER 143 N -3.27 0.21 -0.10 6.66 1.04 -1.05 -2.16 113.70 115.04 1s1i s SER 143 Ca 0.59 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.73 1s1i s SER 143 Cb -0.12 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1s1i s SER 143 CO 0.39 -0.17 -0.14 -1.38 0.98 0.00 0.00 173.24 172.91 1s1i s HIS 144 N -0.89 1.87 0.35 5.02 -3.43 -1.04 0.05 115.29 117.22 1s1i s HIS 144 Ca -0.09 -0.86 0.08 0.00 -0.80 0.00 0.00 55.06 53.39 1s1i s HIS 144 Cb -0.06 -1.36 -0.04 0.00 -1.43 0.00 0.00 32.58 29.69 1s1i s HIS 144 CO -0.01 -0.45 0.18 0.96 -2.00 0.00 0.00 174.74 173.42 1s1i s ILE 145 N 0.98 3.00 -0.01 -5.38 -4.36 -0.63 -4.24 121.20 110.56 1s1i s ILE 145 Ca -0.07 -1.63 -0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1s1i s ILE 145 Cb -0.15 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.56 1s1i s ILE 145 CO -0.01 -0.15 0.05 -1.83 0.24 0.00 0.00 174.94 173.23 1s1i s GLU 146 N -3.89 0.15 0.09 0.37 4.04 -1.26 -3.40 118.70 114.80 1s1i s GLU 146 Ca 0.39 -0.10 0.00 0.00 0.04 0.00 0.00 54.97 55.30 1s1i s GLU 146 Cb -0.02 0.06 0.00 0.00 0.02 0.00 0.00 34.13 34.19 1s1i s GLU 146 CO 0.23 -0.03 0.00 -0.11 -1.84 0.00 0.00 175.26 173.52 1s1i n LEU 147 N 2.62 0.00 0.00 1.83 7.94 -1.26 -2.76 117.00 125.37 1s1i n LEU 147 Ca -0.15 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.22 1s1i n LEU 147 Cb 0.58 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.59 1s1i n LEU 147 CO 0.23 -0.09 0.00 0.52 -1.11 0.00 0.00 177.39 176.94 1s1i n VAL 148 N -0.25 0.00 0.00 1.96 0.31 -1.17 -4.65 118.33 114.54 1s1i n VAL 148 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1s1i n VAL 148 Cb 0.11 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1s1i n VAL 148 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1s1i n VAL 149 N 0.00 0.00 -3.44 2.52 0.24 -1.26 -3.63 118.33 112.77 1s1i n VAL 149 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1s1i n VAL 149 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1s1i n VAL 149 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1s1i n THR 150 N 0.00 0.00 0.00 3.34 -2.24 -1.25 -3.69 114.28 110.44 1s1i n THR 150 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1s1i n THR 150 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1s1i n THR 150 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66