#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s TYR 3 N 0.00 3.33 0.00 0.00 2.02 -1.26 -4.75 117.35 116.69 1s1i s TYR 3 Ca 0.00 -1.71 0.00 0.00 -0.37 0.00 0.00 57.07 54.99 1s1i s TYR 3 Cb 0.00 -4.24 0.00 0.00 -0.40 0.00 0.00 41.96 37.32 1s1i s TYR 3 CO 0.00 -1.40 0.00 1.63 -1.57 0.00 0.00 175.55 174.21 1s1i n LYS 4 N 5.92 0.00 0.28 -0.62 4.76 -1.26 -4.47 118.16 122.78 1s1i n LYS 4 Ca 0.27 0.08 0.15 0.00 -2.87 0.00 0.00 58.31 55.94 1s1i n LYS 4 Cb 0.47 -0.44 0.88 0.00 -1.84 0.00 0.00 35.03 34.10 1s1i n LYS 4 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1s1i h TYR 5 N 0.00 0.00 -0.52 2.13 -0.00 -1.96 0.46 116.97 117.08 1s1i h TYR 5 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.73 58.13 1s1i h TYR 5 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.68 1s1i h TYR 5 CO 0.00 0.00 2.13 1.28 -0.00 0.00 0.00 178.16 181.57 1s1i n LEU 6 N -3.90 4.79 0.00 0.10 4.77 -1.26 0.11 117.00 121.61 1s1i n LEU 6 Ca -0.02 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.27 1s1i n LEU 6 Cb 0.11 -1.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1s1i n LEU 6 CO 0.28 -0.17 0.00 1.21 -1.33 0.00 0.00 177.39 177.37 1s1i n GLU 7 N 7.80 0.00 0.10 3.23 2.13 0.13 -4.18 120.64 129.85 1s1i n GLU 7 Ca 0.49 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.18 1s1i n GLU 7 Cb 0.44 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.08 1s1i n GLU 7 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1s1i h GLU 8 N 0.00 -0.16 -0.34 5.31 4.57 -1.22 -3.01 114.58 119.74 1s1i h GLU 8 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1s1i h GLU 8 Cb 0.00 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1s1i h GLU 8 CO 0.00 -0.08 0.03 1.25 -1.18 0.00 0.00 179.01 179.03 1s1i h LEU 9 N -0.20 0.55 -7.75 1.64 5.85 0.53 -3.16 115.31 112.77 1s1i h LEU 9 Ca -0.02 -0.28 -0.72 0.00 0.84 0.00 0.00 57.88 57.70 1s1i h LEU 9 Cb 0.15 -0.15 -0.16 0.00 0.37 0.00 0.00 40.66 40.88 1s1i h LEU 9 CO 0.03 0.70 1.54 -1.58 -0.34 0.00 0.00 178.44 178.79 1s1i s GLN 10 N -5.10 4.07 0.00 1.25 2.00 -1.14 -3.64 119.66 117.10 1s1i s GLN 10 Ca -0.13 -2.46 0.00 0.00 -2.00 0.00 0.00 55.36 50.77 1s1i s GLN 10 Cb 0.09 -5.17 0.00 0.00 0.80 0.00 0.00 33.01 28.73 1s1i s GLN 10 CO 0.77 -1.87 0.00 -2.13 -0.50 0.00 0.00 175.29 171.55 1s1i n ARG 11 N 6.24 0.00 0.10 1.67 3.00 -1.19 -4.62 116.66 121.85 1s1i n ARG 11 Ca 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 58.11 1s1i n ARG 11 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.81 1s1i n ARG 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1s1i h LYS 12 N 0.00 -0.21 0.00 -0.14 1.63 -1.76 -3.46 116.57 112.63 1s1i h LYS 12 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1s1i h LYS 12 Cb 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1s1i h LYS 12 CO 0.00 0.04 0.00 1.17 -3.45 0.00 0.00 179.45 177.21 1s1i n LYS 13 N -5.09 -0.82 0.00 1.90 3.00 -1.24 -4.59 118.16 111.31 1s1i n LYS 13 Ca -0.09 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1s1i n LYS 13 Cb 0.19 -4.13 0.00 0.00 0.00 0.00 0.00 35.03 31.08 1s1i n LYS 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1s1i n GLN 14 N -0.97 0.17 0.00 1.64 1.13 -1.26 -4.27 117.38 113.82 1s1i n GLN 14 Ca 0.00 -0.45 0.00 0.00 -1.94 0.00 0.00 57.00 54.61 1s1i n GLN 14 Cb 0.21 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 30.01 1s1i n GLN 14 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1s1i n SER 15 N -0.03 0.00 0.00 1.08 3.41 -1.26 -4.79 113.62 112.03 1s1i n SER 15 Ca 0.00 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1s1i n SER 15 Cb 0.42 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1s1i n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s1i n ASP 16 N -1.67 0.00 -0.22 4.04 -0.08 -1.26 -4.88 116.55 112.48 1s1i n ASP 16 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1s1i n ASP 16 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 1s1i n ASP 16 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1s1i h VAL 17 N 0.00 1.24 -0.83 5.18 -1.51 -2.00 -1.63 116.25 116.70 1s1i h VAL 17 Ca 0.00 -0.80 -0.03 0.00 -1.23 0.00 0.00 66.70 64.63 1s1i h VAL 17 Cb 0.00 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 29.73 1s1i h VAL 17 CO 0.00 0.31 0.39 0.25 -1.23 0.00 0.00 177.57 177.29 1s1i h LEU 18 N 0.87 1.09 -0.66 4.19 5.85 -1.93 -1.15 115.31 123.57 1s1i h LEU 18 Ca 0.20 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1s1i h LEU 18 Cb 0.26 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1s1i h LEU 18 CO -0.01 0.93 0.11 0.08 -0.34 0.00 0.00 178.44 179.20 1s1i h ARG 19 N 1.19 1.10 -0.63 1.25 0.11 -1.59 -0.53 114.38 115.28 1s1i h ARG 19 Ca 0.28 -0.30 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1s1i h ARG 19 Cb 0.13 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1s1i h ARG 19 CO -0.03 1.01 0.07 0.27 0.10 0.00 0.00 179.97 181.39 1s1i h PHE 20 N 1.02 1.12 -0.38 4.08 -5.15 -0.35 0.55 116.94 117.84 1s1i h PHE 20 Ca 0.20 -0.16 -0.02 0.00 -0.20 0.00 0.00 57.97 57.79 1s1i h PHE 20 Cb 0.44 -0.31 -0.02 0.00 0.22 0.00 0.00 35.95 36.29 1s1i h PHE 20 CO 0.03 0.96 0.16 1.37 -2.00 0.00 0.00 178.31 178.83 1s1i h LEU 21 N 0.98 0.47 -1.40 2.10 8.10 -0.97 0.71 115.31 125.31 1s1i h LEU 21 Ca 0.19 -0.04 -0.04 0.00 0.11 0.00 0.00 57.88 58.09 1s1i h LEU 21 Cb 0.46 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1s1i h LEU 21 CO 0.02 0.42 -0.21 -0.61 -4.11 0.00 0.00 178.44 173.95 1s1i h GLN 22 N 0.53 0.00 -0.20 0.17 5.75 0.10 -2.06 115.11 119.40 1s1i h GLN 22 Ca 0.13 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.51 1s1i h GLN 22 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1s1i h GLN 22 CO -0.02 0.21 -0.37 0.00 -2.65 0.00 0.00 178.83 176.01 1s1i h ARG 23 N 0.00 0.61 -4.13 1.69 2.47 0.53 -3.39 114.38 112.16 1s1i h ARG 23 Ca -0.00 -0.38 -0.71 0.00 -1.26 0.00 0.00 59.98 57.62 1s1i h ARG 23 Cb 0.61 0.04 -0.33 0.00 -1.65 0.00 0.00 29.97 28.65 1s1i h ARG 23 CO 0.03 0.99 -0.40 0.08 0.56 0.00 0.00 179.97 181.23 1s1i s VAL 24 N -4.10 3.85 0.00 2.04 1.01 -0.54 -4.41 120.40 118.25 1s1i s VAL 24 Ca -0.13 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.59 1s1i s VAL 24 Cb 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1s1i s VAL 24 CO 0.82 -0.79 0.00 -2.11 0.00 0.00 0.00 175.10 173.02 1s1i n ARG 25 N 4.33 0.00 0.04 2.72 -4.01 -1.11 -4.69 116.66 113.95 1s1i n ARG 25 Ca -0.00 0.00 0.09 0.00 -1.04 0.00 0.00 57.85 56.90 1s1i n ARG 25 Cb 0.40 0.00 0.39 0.00 -3.04 0.00 0.00 32.46 30.22 1s1i n ARG 25 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1s1i n VAL 26 N -0.63 0.85 -0.06 8.89 0.31 -1.26 -2.28 118.33 124.16 1s1i n VAL 26 Ca 0.00 0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.44 1s1i n VAL 26 Cb 0.00 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 1s1i n VAL 26 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 1s1i h TRP 27 N 0.00 0.21 -0.13 3.52 2.91 -1.83 0.91 115.95 121.54 1s1i h TRP 27 Ca 0.00 0.01 -0.19 0.00 1.13 0.00 0.00 58.89 59.84 1s1i h TRP 27 Cb 0.32 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1s1i h TRP 27 CO 0.00 0.12 -0.70 1.49 -1.03 0.00 0.00 178.44 178.32 1s1i h GLU 28 N 0.25 0.56 -0.25 2.65 4.81 -1.83 -3.25 114.58 117.52 1s1i h GLU 28 Ca 0.10 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1s1i h GLU 28 Cb 0.03 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1s1i h GLU 28 CO -0.07 1.06 0.02 1.88 -0.73 0.00 0.00 179.01 181.17 1s1i h TYR 29 N 0.40 0.46 -4.13 0.92 0.05 -1.20 -3.28 116.97 110.19 1s1i h TYR 29 Ca -0.03 -0.07 -0.53 0.00 0.05 0.00 0.00 58.73 58.15 1s1i h TYR 29 Cb 1.28 -0.12 0.13 0.00 1.01 0.00 0.00 36.73 39.03 1s1i h TYR 29 CO 0.06 0.57 0.45 0.50 -1.05 0.00 0.00 178.16 178.68 1s1i s ARG 30 N -5.09 2.64 -1.33 4.88 6.06 0.31 0.12 118.95 126.53 1s1i s ARG 30 Ca -0.14 1.80 0.00 0.00 -2.50 0.00 0.00 55.73 54.90 1s1i s ARG 30 Cb 0.08 -1.89 0.00 0.00 0.06 0.00 0.00 34.95 33.20 1s1i s ARG 30 CO 0.74 -1.46 0.00 0.00 -2.50 0.00 0.00 175.30 172.08 1s1i n GLN 31 N -2.06 -1.05 -4.30 5.12 10.64 -1.26 -4.66 117.38 119.81 1s1i n GLN 31 Ca 0.14 0.92 -0.22 0.00 -1.83 0.00 0.00 57.00 56.01 1s1i n GLN 31 Cb 0.50 -5.02 -0.16 0.00 -0.86 0.00 0.00 30.24 24.69 1s1i n GLN 31 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1s1i s LYS 32 N -2.98 1.19 0.82 2.61 2.47 0.12 -5.04 119.74 118.93 1s1i s LYS 32 Ca 0.00 -0.22 -0.06 0.00 -1.56 0.00 0.00 55.97 54.12 1s1i s LYS 32 Cb 0.00 -1.10 0.16 0.00 -1.46 0.00 0.00 37.83 35.44 1s1i s LYS 32 CO 0.00 -0.06 1.12 0.54 0.16 0.00 0.00 175.35 177.12 1s1i s ASN 33 N 0.89 3.82 0.44 1.43 2.20 -1.26 -4.93 114.94 117.52 1s1i s ASN 33 Ca -0.11 -0.19 -0.24 0.00 -0.94 0.00 0.00 52.86 51.37 1s1i s ASN 33 Cb -0.15 -0.02 -0.10 0.00 -2.00 0.00 0.00 41.25 38.98 1s1i s ASN 33 CO 0.01 -2.23 1.09 0.52 -2.94 0.00 0.00 177.10 173.54 1s1i n VAL 34 N -3.20 2.62 -0.62 3.54 0.31 -1.26 -4.42 118.33 115.31 1s1i n VAL 34 Ca 0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1s1i n VAL 34 Cb 0.60 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1s1i n VAL 34 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1s1i n ILE 35 N -0.53 -3.26 0.00 2.52 5.41 -1.26 -5.06 119.36 117.18 1s1i n ILE 35 Ca 0.09 0.54 0.00 0.00 1.00 0.00 0.00 62.75 64.38 1s1i n ILE 35 Cb 0.40 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 1s1i n ILE 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1s1i n HIS 36 N 0.11 0.00 0.00 1.39 -0.00 -1.26 -5.03 115.22 110.42 1s1i n HIS 36 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1s1i n HIS 36 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1s1i n HIS 36 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1s1i n ARG 37 N 0.00 0.00 -3.61 1.57 1.85 -1.26 -4.93 116.66 110.28 1s1i n ARG 37 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 1s1i n ARG 37 Cb 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 1s1i n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s1i s ALA 38 N -2.00 -1.57 0.11 2.89 0.00 0.11 -4.62 121.76 116.69 1s1i s ALA 38 Ca 0.00 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1s1i s ALA 38 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1s1i s ALA 38 CO 0.00 -0.32 1.54 0.00 0.00 0.00 0.00 175.76 176.98 1s1i h ALA 39 N 4.12 0.49 -2.23 0.00 0.00 -2.02 -3.37 119.26 116.25 1s1i h ALA 39 Ca -0.28 -0.27 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 1s1i h ALA 39 Cb 1.16 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1s1i h ALA 39 CO 0.25 0.29 -0.64 1.03 0.00 0.00 0.00 179.25 180.19 1s1i s ARG 40 N -4.92 1.38 0.62 0.00 0.52 -1.26 -4.92 118.95 110.37 1s1i s ARG 40 Ca -0.13 -1.72 -0.09 0.00 -0.52 0.00 0.00 55.73 53.27 1s1i s ARG 40 Cb 0.09 -0.48 -0.01 0.00 0.52 0.00 0.00 34.95 35.07 1s1i s ARG 40 CO 0.79 -0.19 0.99 -2.14 0.02 0.00 0.00 175.30 174.77 1s1i s PRO 41 N -3.94 3.18 0.15 3.54 0.02 -1.26 -4.97 135.00 131.73 1s1i s PRO 41 Ca 0.32 0.40 -0.05 0.00 0.02 0.00 0.00 61.00 61.69 1s1i s PRO 41 Cb 0.07 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 1s1i s PRO 41 CO 0.11 -0.70 1.39 0.00 -0.33 0.00 0.00 177.00 177.47 1s1i h THR 42 N -0.32 1.34 -3.30 0.99 1.03 -2.00 -3.40 112.91 107.26 1s1i h THR 42 Ca -0.45 -2.07 -0.66 0.00 -0.01 0.00 0.00 66.41 63.22 1s1i h THR 42 Cb 1.23 2.06 -0.30 0.00 -1.07 0.00 0.00 68.15 70.07 1s1i h THR 42 CO 0.62 0.64 -0.77 -0.13 -0.01 0.00 0.00 175.52 175.87 1s1i s ARG 43 N -3.67 3.27 0.47 0.00 3.00 -1.26 -4.97 118.95 115.78 1s1i s ARG 43 Ca -0.07 -0.69 0.26 0.00 0.00 0.00 0.00 55.73 55.23 1s1i s ARG 43 Cb 0.10 -2.85 0.67 0.00 0.00 0.00 0.00 34.95 32.87 1s1i s ARG 43 CO 0.86 -0.16 1.73 -1.35 0.00 0.00 0.00 175.30 176.38 1s1i h PRO 44 N 7.94 0.00 -0.10 3.54 0.11 -1.83 -3.06 132.00 138.60 1s1i h PRO 44 Ca -0.41 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1s1i h PRO 44 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s1i h PRO 44 CO 0.61 0.00 -0.25 0.22 -0.21 0.00 0.00 178.00 178.37 1s1i h ASP 45 N 0.00 0.39 -0.31 -2.05 3.58 -1.85 -3.34 116.42 112.84 1s1i h ASP 45 Ca 0.00 -0.58 -0.09 0.00 0.42 0.00 0.00 57.03 56.78 1s1i h ASP 45 Cb 0.84 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1s1i h ASP 45 CO 0.00 0.90 -0.16 0.11 -2.88 0.00 0.00 179.24 177.22 1s1i h LYS 46 N -0.10 0.65 -7.17 0.28 1.57 -1.82 -3.15 116.57 106.83 1s1i h LYS 46 Ca -0.00 -0.29 -0.48 0.00 -1.87 0.00 0.00 60.65 58.01 1s1i h LYS 46 Cb 0.85 -0.02 0.05 0.00 0.08 0.00 0.00 32.23 33.19 1s1i h LYS 46 CO 0.05 0.88 0.38 0.00 -0.57 0.00 0.00 179.45 180.19 1s1i s ALA 47 N -4.60 2.84 -1.22 3.86 0.00 -1.16 -0.21 121.76 121.28 1s1i s ALA 47 Ca -0.13 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 1s1i s ALA 47 Cb 0.09 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1s1i s ALA 47 CO 0.80 -0.58 1.05 0.54 0.00 0.00 0.00 175.76 177.57 1s1i n ARG 48 N -1.72 -7.04 0.00 0.00 1.74 -0.85 -4.66 116.66 104.13 1s1i n ARG 48 Ca 0.08 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1s1i n ARG 48 Cb 0.53 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.29 1s1i n ARG 48 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s1i n ARG 49 N -4.44 0.00 -0.20 5.56 3.00 -0.96 -4.73 116.66 114.88 1s1i n ARG 49 Ca -0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.67 1s1i n ARG 49 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.07 1s1i n ARG 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1s1i h LEU 50 N 0.00 0.82 0.00 6.15 4.07 -0.86 -3.46 115.31 122.03 1s1i h LEU 50 Ca 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1s1i h LEU 50 Cb 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.52 1s1i h LEU 50 CO 0.00 0.82 0.00 0.61 -1.08 0.00 0.00 178.44 178.79 1s1i n GLY 51 N -0.68 1.59 3.64 0.83 0.00 -1.26 -4.98 105.19 104.33 1s1i n GLY 51 Ca 0.03 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1s1i n GLY 51 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s1i s TYR 52 N 0.00 -0.71 0.06 1.61 6.14 -1.26 -4.53 117.35 118.66 1s1i s TYR 52 Ca 0.00 1.40 -0.05 0.00 0.64 0.00 0.00 57.07 59.06 1s1i s TYR 52 Cb 0.00 0.42 -0.02 0.00 0.42 0.00 0.00 41.96 42.79 1s1i s TYR 52 CO 0.00 -0.35 0.09 -1.59 0.64 0.00 0.00 175.55 174.34 1s1i s LYS 53 N 1.47 0.67 0.18 4.97 0.00 -1.26 -2.00 119.74 123.77 1s1i s LYS 53 Ca -0.09 -0.94 -0.31 0.00 0.00 0.00 0.00 55.97 54.63 1s1i s LYS 53 Cb -0.04 0.26 -0.09 0.00 0.00 0.00 0.00 37.83 37.96 1s1i s LYS 53 CO -0.16 -0.17 1.39 0.00 0.00 0.00 0.00 175.35 176.41 1s1i s ALA 54 N -3.34 3.60 -0.29 0.59 0.00 -1.26 -4.87 121.76 116.19 1s1i s ALA 54 Ca 0.01 1.19 -0.37 0.00 0.00 0.00 0.00 51.96 52.80 1s1i s ALA 54 Cb 0.03 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.79 1s1i s ALA 54 CO -0.08 -0.64 1.38 0.15 0.00 0.00 0.00 175.76 176.58 1s1i s LYS 55 N 0.31 0.03 0.55 0.00 -0.14 -1.26 -5.10 119.74 114.12 1s1i s LYS 55 Ca 0.61 -0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 55.06 1s1i s LYS 55 Cb -0.39 0.01 -0.06 0.00 -1.68 0.00 0.00 37.83 35.71 1s1i s LYS 55 CO 0.36 -0.01 1.01 -1.14 -0.76 0.00 0.00 175.35 174.81 1s1i s GLN 56 N -1.82 3.75 0.00 1.68 2.00 -1.26 -3.27 119.66 120.74 1s1i s GLN 56 Ca 0.11 0.99 0.00 0.00 -2.00 0.00 0.00 55.36 54.47 1s1i s GLN 56 Cb -0.01 -2.10 0.00 0.00 0.80 0.00 0.00 33.01 31.70 1s1i s GLN 56 CO -0.04 -0.44 0.00 0.41 -0.50 0.00 0.00 175.29 174.73 1s1i n GLY 57 N -1.55 0.75 3.63 2.59 0.00 -1.26 -4.34 105.19 105.00 1s1i n GLY 57 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1s1i n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1i s PHE 58 N -2.59 3.10 -0.03 1.61 0.08 -1.20 -2.62 117.98 116.32 1s1i s PHE 58 Ca 0.00 0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 1s1i s PHE 58 Cb 0.00 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 1s1i s PHE 58 CO 0.00 0.35 0.08 0.14 -0.10 0.00 0.00 175.22 175.69 1s1i s VAL 59 N -0.61 -0.02 -0.06 -0.44 -7.23 -1.22 -4.95 120.40 105.87 1s1i s VAL 59 Ca 0.10 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.38 1s1i s VAL 59 Cb -0.12 -0.13 -0.01 0.00 0.56 0.00 0.00 36.38 36.69 1s1i s VAL 59 CO 0.02 0.03 -0.22 0.27 -0.31 0.00 0.00 175.10 174.89 1s1i s ILE 60 N 0.38 1.84 0.13 -0.62 -0.00 -1.26 -0.09 121.20 121.57 1s1i s ILE 60 Ca -0.03 -0.93 0.08 0.00 -0.00 0.00 0.00 60.65 59.78 1s1i s ILE 60 Cb -0.04 -1.57 -0.04 0.00 -0.00 0.00 0.00 42.46 40.81 1s1i s ILE 60 CO -0.01 0.51 -0.20 -0.31 -0.00 0.00 0.00 174.94 174.93 1s1i s TYR 61 N 0.04 1.81 0.32 1.37 1.51 -0.02 -0.72 117.35 121.67 1s1i s TYR 61 Ca -0.07 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 1s1i s TYR 61 Cb -0.14 -0.96 0.07 0.00 -0.11 0.00 0.00 41.96 40.82 1s1i s TYR 61 CO 0.04 0.25 0.44 0.54 -1.11 0.00 0.00 175.55 175.72 1s1i n ARG 62 N 0.80 -0.26 -3.57 -0.62 1.74 -1.26 -2.27 116.66 111.21 1s1i n ARG 62 Ca -0.17 -0.78 -0.07 0.00 -0.77 0.00 0.00 57.85 56.06 1s1i n ARG 62 Cb 0.55 -0.42 -0.03 0.00 -1.02 0.00 0.00 32.46 31.54 1s1i n ARG 62 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s1i s VAL 63 N -1.76 0.00 0.43 1.55 1.01 -1.16 -4.54 120.40 115.93 1s1i s VAL 63 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1s1i s VAL 63 Cb -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1s1i s VAL 63 CO 0.18 0.00 0.10 0.00 0.00 0.00 0.00 175.10 175.38 1s1i s ARG 64 N -2.03 1.98 0.00 2.72 3.03 -1.26 -3.14 118.95 120.25 1s1i s ARG 64 Ca 0.05 -2.21 0.00 0.00 2.03 0.00 0.00 55.73 55.59 1s1i s ARG 64 Cb -0.01 -0.83 0.00 0.00 -1.03 0.00 0.00 34.95 33.08 1s1i s ARG 64 CO -0.04 -0.44 0.00 1.33 -1.13 0.00 0.00 175.30 175.02 1s1i n VAL 65 N -0.98 0.00 -1.60 4.99 0.24 -1.03 -4.91 118.33 115.04 1s1i n VAL 65 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1s1i n VAL 65 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1s1i n VAL 65 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1s1i n ARG 66 N -0.13 0.00 0.00 7.34 1.74 -1.26 -4.99 116.66 119.35 1s1i n ARG 66 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s1i n ARG 66 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1s1i n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s1i n ARG 67 N 0.00 0.00 -1.59 5.56 1.74 -1.26 -2.93 116.66 118.18 1s1i n ARG 67 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1s1i n ARG 67 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 1s1i n ARG 67 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1s1i s GLY 68 N -0.08 1.60 -0.12 -0.13 0.00 -1.26 -4.81 107.32 102.52 1s1i s GLY 68 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 1s1i s GLY 68 CO 0.00 0.10 -0.09 0.54 0.00 0.00 0.00 173.10 173.65 1s1i s ASN 69 N -4.04 4.41 0.00 1.64 4.22 -1.26 -4.89 114.94 115.02 1s1i s ASN 69 Ca 0.62 -0.19 0.00 0.00 -2.14 0.00 0.00 52.86 51.15 1s1i s ASN 69 Cb -0.14 -1.54 0.00 0.00 1.28 0.00 0.00 41.25 40.84 1s1i s ASN 69 CO 0.53 0.21 0.00 -2.11 -2.04 0.00 0.00 177.10 173.70 1s1i n ARG 70 N 3.22 0.00 -2.67 3.55 0.00 -1.26 -4.67 116.66 114.82 1s1i n ARG 70 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1s1i n ARG 70 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.99 1s1i n ARG 70 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1s1i n LYS 71 N 0.00 -0.37 -3.76 2.89 -0.00 -1.26 -4.83 118.16 110.83 1s1i n LYS 71 Ca 0.00 0.70 -0.11 0.00 -0.00 0.00 0.00 58.31 58.90 1s1i n LYS 71 Cb 0.00 -0.77 -0.07 0.00 -0.00 0.00 0.00 35.03 34.19 1s1i n LYS 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1s1i s ARG 72 N -0.67 0.85 0.67 -1.58 3.03 -1.26 -5.11 118.95 114.87 1s1i s ARG 72 Ca 0.00 -0.62 -0.11 0.00 2.03 0.00 0.00 55.73 57.03 1s1i s ARG 72 Cb 0.00 0.36 -0.00 0.00 -1.03 0.00 0.00 34.95 34.28 1s1i s ARG 72 CO 0.00 -0.28 1.06 -1.25 -1.13 0.00 0.00 175.30 173.70 1s1i s PRO 73 N -2.98 3.12 0.10 3.89 0.04 -1.26 -4.98 135.00 132.92 1s1i s PRO 73 Ca -0.02 0.52 0.01 0.00 0.04 0.00 0.00 61.00 61.55 1s1i s PRO 73 Cb 0.01 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1s1i s PRO 73 CO -0.06 -0.85 0.23 0.54 0.04 0.00 0.00 177.00 176.90 1s1i s VAL 74 N -3.27 5.32 0.73 -0.36 0.11 -1.26 -4.95 120.40 116.72 1s1i s VAL 74 Ca 0.57 -0.53 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1s1i s VAL 74 Cb -0.11 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1s1i s VAL 74 CO 0.52 0.04 1.07 -2.84 -3.33 0.00 0.00 175.10 170.57 1s1i s PRO 75 N -2.80 2.64 0.00 1.54 0.02 -1.26 -5.05 135.00 130.09 1s1i s PRO 75 Ca 0.35 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1s1i s PRO 75 Cb -0.12 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1s1i s PRO 75 CO 0.28 -1.32 0.00 0.36 -0.33 0.00 0.00 177.00 175.99 1s1i n LYS 76 N -3.29 2.56 0.00 5.54 0.00 -1.26 -4.96 118.16 116.75 1s1i n LYS 76 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1s1i n LYS 76 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 1s1i n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s1i n GLY 77 N 3.23 -1.62 2.44 2.58 0.00 -1.26 -4.04 105.19 106.53 1s1i n GLY 77 Ca 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 1s1i n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i n ALA 78 N -3.00 -0.24 -0.04 4.61 0.00 -1.26 -4.83 120.51 115.74 1s1i n ALA 78 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 1s1i n ALA 78 Cb 0.00 -1.66 0.17 0.00 0.00 0.00 0.00 19.45 17.96 1s1i n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i h THR 79 N 0.00 1.26 -2.52 0.00 1.03 -1.94 -3.43 112.91 107.31 1s1i h THR 79 Ca -0.32 -1.19 -0.59 0.00 -0.01 0.00 0.00 66.41 64.30 1s1i h THR 79 Cb 1.02 1.17 0.08 0.00 -1.07 0.00 0.00 68.15 69.35 1s1i h THR 79 CO 0.46 0.39 0.59 0.00 -0.01 0.00 0.00 175.52 176.96 1s1i n TYR 80 N -4.15 2.06 0.00 0.00 0.18 -1.26 -4.54 117.16 109.46 1s1i n TYR 80 Ca 0.01 0.44 0.00 0.00 1.88 0.00 0.00 57.90 60.23 1s1i n TYR 80 Cb 0.38 -2.45 0.00 0.00 -0.38 0.00 0.00 39.34 36.89 1s1i n TYR 80 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1s1i n GLY 81 N 2.31 -0.33 0.10 -7.48 0.00 -1.26 -4.94 105.19 93.58 1s1i n GLY 81 Ca 0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1s1i n GLY 81 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s1i h LYS 82 N 0.00 0.18 -7.24 1.61 1.63 -1.97 -3.45 116.57 107.32 1s1i h LYS 82 Ca 0.00 -0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.30 1s1i h LYS 82 Cb 0.00 -0.04 0.05 0.00 -0.60 0.00 0.00 32.23 31.64 1s1i h LYS 82 CO 0.00 0.12 0.38 -1.25 -3.45 0.00 0.00 179.45 175.25 1s1i s PRO 83 N -6.18 3.59 0.00 1.90 0.04 -1.26 -5.17 135.00 127.92 1s1i s PRO 83 Ca -0.13 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1s1i s PRO 83 Cb 0.09 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1s1i s PRO 83 CO 0.69 -0.57 0.00 0.25 0.04 0.00 0.00 177.00 177.40 1s1i n THR 84 N -2.11 0.00 -1.60 1.26 -2.24 -1.26 -4.67 114.28 103.65 1s1i n THR 84 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1s1i n THR 84 Cb 0.54 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1s1i n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1s1i s ASN 85 N -1.00 5.20 0.00 3.42 0.01 -1.26 -4.56 114.94 116.75 1s1i s ASN 85 Ca 0.00 1.68 0.00 0.00 -0.71 0.00 0.00 52.86 53.83 1s1i s ASN 85 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1s1i s ASN 85 CO 0.00 -2.19 0.00 1.67 -1.51 0.00 0.00 177.10 175.07 1s1i n GLN 86 N 8.83 0.00 0.00 -0.60 0.00 -1.26 -4.98 117.38 119.36 1s1i n GLN 86 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 1s1i n GLN 86 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.71 1s1i n GLN 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s1i n GLY 87 N 0.00 -0.42 0.00 1.69 0.00 -1.26 -4.98 105.19 100.22 1s1i n GLY 87 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1s1i n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s1i n VAL 88 N -0.49 0.00 -2.36 1.61 0.31 -1.26 -4.72 118.33 111.42 1s1i n VAL 88 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1s1i n VAL 88 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1s1i n VAL 88 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1s1i s ASN 89 N 1.74 5.93 0.00 4.52 2.47 -1.26 -2.92 114.94 125.42 1s1i s ASN 89 Ca 0.00 -0.97 0.00 0.00 0.42 0.00 0.00 52.86 52.31 1s1i s ASN 89 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1s1i s ASN 89 CO 0.00 -2.01 0.00 -1.84 -3.72 0.00 0.00 177.10 169.53 1s1i n GLU 90 N 8.95 0.00 -2.29 0.43 0.00 -1.26 -5.12 120.64 121.35 1s1i n GLU 90 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 57.09 1s1i n GLU 90 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.92 1s1i n GLU 90 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1s1i s LEU 91 N -2.07 4.15 0.04 -1.84 0.05 -1.15 -5.03 118.68 112.83 1s1i s LEU 91 Ca 0.00 2.34 0.09 0.00 0.05 0.00 0.00 54.13 56.61 1s1i s LEU 91 Cb 0.00 -4.07 -0.03 0.00 -2.05 0.00 0.00 46.19 40.04 1s1i s LEU 91 CO 0.00 -0.73 -0.26 -0.54 -0.55 0.00 0.00 176.35 174.27 1s1i s LYS 92 N -2.40 1.83 0.14 1.48 -0.14 -1.26 -4.34 119.74 115.06 1s1i s LYS 92 Ca 0.59 -1.09 -0.22 0.00 -1.36 0.00 0.00 55.97 53.89 1s1i s LYS 92 Cb -0.30 -1.99 -0.07 0.00 -1.68 0.00 0.00 37.83 33.78 1s1i s LYS 92 CO 0.38 0.52 0.68 1.52 -0.76 0.00 0.00 175.35 177.68 1s1i s TYR 93 N -0.79 3.82 0.21 3.18 -0.85 -1.26 -4.96 117.35 116.70 1s1i s TYR 93 Ca 0.12 1.44 -0.09 0.00 -0.52 0.00 0.00 57.07 58.01 1s1i s TYR 93 Cb -0.10 -2.63 0.17 0.00 0.38 0.00 0.00 41.96 39.78 1s1i s TYR 93 CO 0.02 0.51 1.85 -0.56 -1.52 0.00 0.00 175.55 175.85 1s1i h GLN 94 N 4.22 1.08 -6.96 -3.49 -0.00 -2.03 -3.42 115.11 104.51 1s1i h GLN 94 Ca -0.48 -0.10 -0.53 0.00 -0.00 0.00 0.00 58.65 57.53 1s1i h GLN 94 Cb 1.21 -0.22 0.10 0.00 -0.00 0.00 0.00 27.48 28.56 1s1i h GLN 94 CO 0.65 0.77 0.65 -0.98 -0.00 0.00 0.00 178.83 179.92 1s1i s ARG 95 N -5.95 3.87 0.63 0.06 1.70 -1.26 -4.96 118.95 113.04 1s1i s ARG 95 Ca -0.13 2.28 -0.09 0.00 -0.47 0.00 0.00 55.73 57.32 1s1i s ARG 95 Cb 0.15 -2.73 -0.00 0.00 -0.57 0.00 0.00 34.95 31.80 1s1i s ARG 95 CO 0.80 -0.62 0.99 -1.12 -1.08 0.00 0.00 175.30 174.27 1s1i s SER 96 N -0.62 5.74 -1.20 -2.89 0.01 -1.26 -4.91 113.70 108.57 1s1i s SER 96 Ca 0.58 1.05 -0.08 0.00 1.31 0.00 0.00 55.95 58.81 1s1i s SER 96 Cb -0.41 -2.01 0.22 0.00 0.21 0.00 0.00 66.02 64.03 1s1i s SER 96 CO 0.52 -1.08 1.68 0.18 0.41 0.00 0.00 173.24 174.96 1s1i n LEU 97 N -2.75 6.41 0.08 2.44 7.99 -1.26 -1.14 117.00 128.78 1s1i n LEU 97 Ca 0.05 -4.83 0.00 0.00 -0.01 0.00 0.00 56.01 51.22 1s1i n LEU 97 Cb 0.56 -1.42 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 1s1i n LEU 97 CO 0.56 1.42 0.00 0.54 -1.51 0.00 0.00 177.39 178.40 1s1i n ARG 98 N 3.14 0.00 -0.27 3.23 1.74 -1.26 -4.76 116.66 118.47 1s1i n ARG 98 Ca 0.34 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.39 1s1i n ARG 98 Cb 0.36 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.88 1s1i n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s1i h ALA 99 N 0.00 0.99 -0.29 7.54 0.00 -1.82 0.24 119.26 125.92 1s1i h ALA 99 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1s1i h ALA 99 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1s1i h ALA 99 CO 0.00 0.31 0.08 1.15 0.00 0.00 0.00 179.25 180.79 1s1i h THR 100 N 0.97 1.14 -0.43 0.00 2.02 -1.43 0.00 112.91 115.17 1s1i h THR 100 Ca 0.30 -0.47 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 1s1i h THR 100 Cb -0.02 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1s1i h THR 100 CO -0.10 0.17 -0.18 0.00 0.37 0.00 0.00 175.52 175.78 1s1i h ALA 101 N 1.68 0.87 -0.31 6.16 0.00 -0.87 -3.27 119.26 123.52 1s1i h ALA 101 Ca 0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1s1i h ALA 101 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s1i h ALA 101 CO -0.01 0.64 0.07 1.05 0.00 0.00 0.00 179.25 181.01 1s1i h GLU 102 N 0.74 0.50 -7.40 0.00 -0.00 0.81 -3.36 114.58 105.87 1s1i h GLU 102 Ca 0.11 -0.12 -0.46 0.00 -0.00 0.00 0.00 59.36 58.89 1s1i h GLU 102 Cb 0.70 -0.07 0.11 0.00 -0.00 0.00 0.00 28.75 29.49 1s1i h GLU 102 CO 0.05 0.57 0.25 -1.83 -0.00 0.00 0.00 179.01 178.05 1s1i s GLU 103 N -5.29 1.48 -1.37 1.06 1.03 -1.05 -3.23 118.70 111.33 1s1i s GLU 103 Ca -0.13 -0.64 0.00 0.00 0.03 0.00 0.00 54.97 54.23 1s1i s GLU 103 Cb 0.09 -2.12 0.00 0.00 -0.80 0.00 0.00 34.13 31.29 1s1i s GLU 103 CO 0.75 -1.71 0.00 0.54 -1.33 0.00 0.00 175.26 173.51 1s1i n ARG 104 N -3.17 -1.23 -3.65 -4.83 5.12 -1.26 -4.76 116.66 102.88 1s1i n ARG 104 Ca 0.13 0.78 -0.00 0.00 -1.93 0.00 0.00 57.85 56.83 1s1i n ARG 104 Cb 0.60 -5.14 -0.07 0.00 -1.16 0.00 0.00 32.46 26.70 1s1i n ARG 104 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s1i s VAL 105 N -2.76 0.00 0.00 1.55 1.01 -1.20 -4.86 120.40 114.14 1s1i s VAL 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1s1i s VAL 105 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1s1i s VAL 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1s1i n GLY 106 N 2.16 2.98 2.69 4.51 0.00 -1.25 -4.72 105.19 111.56 1s1i n GLY 106 Ca -0.13 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1s1i n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1i n ARG 107 N 0.00 2.58 0.01 1.61 5.12 -1.26 -3.34 116.66 121.38 1s1i n ARG 107 Ca 0.00 -4.60 0.00 0.00 -1.93 0.00 0.00 57.85 51.32 1s1i n ARG 107 Cb 0.00 -2.31 0.00 0.00 -1.16 0.00 0.00 32.46 28.99 1s1i n ARG 107 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1s1i n ARG 108 N 1.35 0.00 -3.39 5.56 0.00 -1.26 -4.46 116.66 114.45 1s1i n ARG 108 Ca 0.26 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.67 1s1i n ARG 108 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.76 1s1i n ARG 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s1i s ALA 109 N -1.11 3.53 0.19 5.13 0.00 -1.26 -4.91 121.76 123.34 1s1i s ALA 109 Ca 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 51.96 49.89 1s1i s ALA 109 Cb 0.00 -3.04 0.10 0.00 0.00 0.00 0.00 23.12 20.18 1s1i s ALA 109 CO 0.00 -1.67 1.63 0.00 0.00 0.00 0.00 175.76 175.71 1s1i h ALA 110 N 8.73 0.83 -0.53 0.00 0.00 -1.94 -3.23 119.26 123.12 1s1i h ALA 110 Ca -0.28 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1s1i h ALA 110 Cb 1.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1s1i h ALA 110 CO 0.85 0.66 0.25 -0.91 0.00 0.00 0.00 179.25 180.09 1s1i h ASN 111 N 0.87 0.70 -2.00 0.00 2.35 -1.91 -3.45 115.58 112.13 1s1i h ASN 111 Ca 0.14 -0.14 -0.47 0.00 -0.55 0.00 0.00 56.30 55.29 1s1i h ASN 111 Cb 0.65 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1s1i h ASN 111 CO 0.05 0.64 -0.42 -1.48 -1.65 0.00 0.00 177.43 174.57 1s1i s LEU 112 N -9.85 4.00 0.00 1.61 -0.00 -1.22 -4.57 118.68 108.65 1s1i s LEU 112 Ca -0.13 -0.16 0.03 0.00 -0.00 0.00 0.00 54.13 53.87 1s1i s LEU 112 Cb 0.12 -2.64 0.03 0.00 -0.00 0.00 0.00 46.19 43.70 1s1i s LEU 112 CO 0.77 -0.24 0.25 0.54 -0.00 0.00 0.00 176.35 177.68 1s1i n ARG 113 N -1.45 1.01 -3.76 1.48 3.00 -1.26 -4.71 116.66 110.97 1s1i n ARG 113 Ca -0.05 -1.47 -0.13 0.00 -0.01 0.00 0.00 57.85 56.19 1s1i n ARG 113 Cb 0.58 0.06 -0.13 0.00 0.00 0.00 0.00 32.46 32.97 1s1i n ARG 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1s1i s VAL 114 N -0.97 -0.02 -0.03 1.55 0.11 -1.26 -0.58 120.40 119.19 1s1i s VAL 114 Ca 0.19 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1s1i s VAL 114 Cb -0.02 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1s1i s VAL 114 CO 0.12 0.04 0.21 -0.76 -3.33 0.00 0.00 175.10 171.38 1s1i s LEU 115 N 0.77 4.38 -0.10 2.54 1.43 -1.25 -4.90 118.68 121.56 1s1i s LEU 115 Ca -0.05 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1s1i s LEU 115 Cb -0.07 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1s1i s LEU 115 CO -0.05 0.30 -0.06 0.20 0.23 0.00 0.00 176.35 176.98 1s1i s ASN 116 N -1.56 4.68 0.30 2.29 -0.87 -1.26 -3.47 114.94 115.05 1s1i s ASN 116 Ca 0.24 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.47 1s1i s ASN 116 Cb -0.13 -1.39 0.00 0.00 -0.02 0.00 0.00 41.25 39.71 1s1i s ASN 116 CO 0.13 0.30 0.00 -1.54 -2.57 0.00 0.00 177.10 173.42 1s1i n SER 117 N 2.68 0.00 -4.13 -1.22 3.41 -1.26 -4.79 113.62 108.31 1s1i n SER 117 Ca -0.18 -0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 57.69 1s1i n SER 117 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1s1i n SER 117 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1s1i s TYR 118 N 0.42 0.86 1.01 7.33 -0.85 -1.26 -4.69 117.35 120.17 1s1i s TYR 118 Ca 0.00 -1.18 -0.11 0.00 -0.52 0.00 0.00 57.07 55.26 1s1i s TYR 118 Cb 0.00 -0.40 0.20 0.00 0.38 0.00 0.00 41.96 42.14 1s1i s TYR 118 CO 0.00 -0.63 1.10 1.67 -1.52 0.00 0.00 175.55 176.17 1s1i s TRP 119 N -4.07 1.56 0.36 -3.49 1.48 -1.26 -3.84 118.94 109.67 1s1i s TRP 119 Ca 0.28 1.53 0.07 0.00 -1.06 0.00 0.00 56.10 56.93 1s1i s TRP 119 Cb 0.06 -3.23 -0.01 0.00 -1.16 0.00 0.00 33.47 29.13 1s1i s TRP 119 CO 0.06 -3.20 0.48 0.14 -4.06 0.00 0.00 176.95 170.37 1s1i s VAL 120 N -2.59 3.73 0.50 -0.66 -7.23 -1.26 -4.87 120.40 108.02 1s1i s VAL 120 Ca 0.67 -1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 1s1i s VAL 120 Cb -0.23 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1s1i s VAL 120 CO 0.60 -0.12 0.84 0.20 -0.31 0.00 0.00 175.10 176.32 1s1i s ASN 121 N -4.20 6.30 0.05 4.85 0.01 -1.26 -4.14 114.94 116.55 1s1i s ASN 121 Ca 0.47 1.08 -0.02 0.00 -0.71 0.00 0.00 52.86 53.67 1s1i s ASN 121 Cb -0.09 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 1s1i s ASN 121 CO 0.31 -0.61 0.01 -1.10 -1.51 0.00 0.00 177.10 174.20 1s1i s GLN 122 N -4.68 0.57 0.15 -0.60 -1.52 -1.26 -4.75 119.66 107.57 1s1i s GLN 122 Ca 0.50 -1.00 0.08 0.00 -1.95 0.00 0.00 55.36 52.99 1s1i s GLN 122 Cb -0.10 0.21 -0.04 0.00 -0.22 0.00 0.00 33.01 32.85 1s1i s GLN 122 CO 0.44 -0.12 -0.19 0.16 -0.25 0.00 0.00 175.29 175.34 1s1i s ASP 123 N -2.50 2.63 0.00 5.90 1.47 -1.25 -4.69 116.67 118.22 1s1i s ASP 123 Ca 0.00 -0.82 0.00 0.00 1.18 0.00 0.00 52.55 52.91 1s1i s ASP 123 Cb 0.03 -0.15 0.00 0.00 -0.34 0.00 0.00 42.92 42.46 1s1i s ASP 123 CO -0.07 -0.02 0.00 -1.20 0.68 0.00 0.00 175.17 174.56 1s1i n SER 124 N 0.48 0.00 0.00 2.11 7.64 -1.26 -4.37 113.62 118.22 1s1i n SER 124 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1s1i n SER 124 Cb 0.56 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1s1i n SER 124 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1s1i n THR 125 N -2.00 0.00 -2.24 0.44 -2.24 -1.26 -5.02 114.28 101.96 1s1i n THR 125 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1s1i n THR 125 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1s1i n THR 125 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s1i s TYR 126 N 2.00 2.70 0.49 4.78 1.51 -1.18 -4.04 117.35 123.61 1s1i s TYR 126 Ca 0.00 1.54 0.08 0.00 -1.01 0.00 0.00 57.07 57.67 1s1i s TYR 126 Cb 0.00 -3.33 0.02 0.00 -0.11 0.00 0.00 41.96 38.54 1s1i s TYR 126 CO 0.00 -1.61 0.50 0.15 -1.11 0.00 0.00 175.55 173.48 1s1i s LYS 127 N -3.14 2.44 0.00 -0.62 -0.14 -1.15 -3.81 119.74 113.31 1s1i s LYS 127 Ca 0.71 -1.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1s1i s LYS 127 Cb -0.26 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 1s1i s LYS 127 CO 0.29 -0.47 0.00 0.66 -0.76 0.00 0.00 175.35 175.08 1s1i n TYR 128 N -1.79 0.00 0.00 3.18 4.02 -1.26 -2.47 117.16 118.84 1s1i n TYR 128 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1s1i n TYR 128 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 1s1i n TYR 128 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1s1i n PHE 129 N 0.00 0.00 0.00 -0.72 -0.00 -1.19 -4.39 117.46 111.17 1s1i n PHE 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1s1i n PHE 129 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1s1i n PHE 129 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1s1i n GLU 130 N -0.24 0.00 0.00 -4.13 4.07 -1.25 -3.00 120.64 116.09 1s1i n GLU 130 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1s1i n GLU 130 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1s1i n GLU 130 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1s1i n VAL 131 N 0.00 0.00 -3.84 6.31 0.31 -0.96 -4.47 118.33 115.68 1s1i n VAL 131 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1s1i n VAL 131 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1s1i n VAL 131 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s1i s ILE 132 N 0.00 5.04 0.34 2.52 1.01 -1.23 -0.84 121.20 128.05 1s1i s ILE 132 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1s1i s ILE 132 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1s1i s ILE 132 CO 0.00 -0.31 0.15 -0.76 0.00 0.00 0.00 174.94 174.01 1s1i s LEU 133 N -4.04 1.84 0.00 2.97 1.43 0.86 -3.90 118.68 117.85 1s1i s LEU 133 Ca 0.36 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1s1i s LEU 133 Cb -0.09 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1s1i s LEU 133 CO 0.30 -0.89 0.00 1.33 0.23 0.00 0.00 176.35 177.32 1s1i n VAL 134 N -0.71 0.00 -3.65 -1.59 0.24 0.25 -3.45 118.33 109.42 1s1i n VAL 134 Ca -0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 1s1i n VAL 134 Cb 0.65 -0.01 -0.07 0.00 -1.47 0.00 0.00 33.84 32.94 1s1i n VAL 134 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1s1i s ASP 135 N 0.91 -0.88 0.00 -1.34 -4.77 -1.08 -4.39 116.67 105.13 1s1i s ASP 135 Ca 0.00 1.40 -0.20 0.00 -3.30 0.00 0.00 52.55 50.46 1s1i s ASP 135 Cb 0.00 1.46 -0.24 0.00 -1.09 0.00 0.00 42.92 43.05 1s1i s ASP 135 CO 0.00 -0.23 1.09 1.55 0.70 0.00 0.00 175.17 178.29 1s1i h PRO 136 N 7.27 0.41 -3.66 2.11 0.13 -1.89 -3.40 132.00 132.97 1s1i h PRO 136 Ca -0.28 -0.45 -0.78 0.00 -0.87 0.00 0.00 66.00 63.63 1s1i h PRO 136 Cb 1.19 0.13 -0.29 0.00 0.13 0.00 0.00 31.00 32.16 1s1i h PRO 136 CO 0.17 1.11 0.15 1.14 -0.23 0.00 0.00 178.00 180.34 1s1i s GLN 137 N -3.19 3.67 0.26 0.86 -2.07 -1.26 -4.74 119.66 113.18 1s1i s GLN 137 Ca -0.13 -2.81 -0.12 0.00 -1.82 0.00 0.00 55.36 50.49 1s1i s GLN 137 Cb 0.03 -4.35 -0.00 0.00 -1.09 0.00 0.00 33.01 27.60 1s1i s GLN 137 CO 0.82 -1.26 0.47 -1.58 -1.32 0.00 0.00 175.29 172.43 1s1i s HIS 138 N -0.49 0.44 0.27 9.60 2.46 -1.26 -5.11 115.29 121.20 1s1i s HIS 138 Ca 0.23 -0.79 0.07 0.00 0.47 0.00 0.00 55.06 55.03 1s1i s HIS 138 Cb -0.11 0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.47 1s1i s HIS 138 CO -0.08 -1.01 0.25 -1.59 -2.47 0.00 0.00 174.74 169.84 1s1i s LYS 139 N -3.91 2.96 0.00 2.88 0.00 -1.26 -3.50 119.74 116.91 1s1i s LYS 139 Ca 0.24 -1.06 0.00 0.00 0.00 0.00 0.00 55.97 55.15 1s1i s LYS 139 Cb -0.00 -2.60 0.00 0.00 0.00 0.00 0.00 37.83 35.22 1s1i s LYS 139 CO 0.10 0.33 0.00 0.00 0.00 0.00 0.00 175.35 175.78 1s1i n ALA 140 N -1.27 0.00 -0.03 0.59 0.00 -1.26 -4.49 120.51 114.05 1s1i n ALA 140 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1s1i n ALA 140 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1s1i n ALA 140 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1s1i h ILE 141 N 0.00 1.47 -2.28 0.00 -0.00 -1.76 -3.26 117.51 111.69 1s1i h ILE 141 Ca 0.00 -1.57 -0.78 0.00 -0.00 0.00 0.00 64.86 62.51 1s1i h ILE 141 Cb 0.00 2.42 -0.22 0.00 -0.00 0.00 0.00 36.82 39.03 1s1i h ILE 141 CO 0.00 0.43 1.32 0.54 -0.00 0.00 0.00 178.15 180.43 1s1i n ARG 142 N -4.64 3.93 0.00 2.19 5.12 -1.23 -4.14 116.66 117.89 1s1i n ARG 142 Ca -0.09 -4.06 0.00 0.00 -1.93 0.00 0.00 57.85 51.78 1s1i n ARG 142 Cb 0.38 -2.74 0.00 0.00 -1.16 0.00 0.00 32.46 28.95 1s1i n ARG 142 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s1i n ARG 143 N 2.94 0.00 -1.65 5.56 5.12 -1.24 -4.90 116.66 122.49 1s1i n ARG 143 Ca 0.33 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 55.76 1s1i n ARG 143 Cb 0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.61 1s1i n ARG 143 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1s1i n ASP 144 N -1.32 2.68 -0.17 0.55 8.00 -1.23 -4.81 116.55 120.26 1s1i n ASP 144 Ca 0.00 1.08 -0.06 0.00 0.71 0.00 0.00 54.79 56.52 1s1i n ASP 144 Cb 0.00 -1.34 0.04 0.00 -0.02 0.00 0.00 41.12 39.80 1s1i n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1i h ALA 145 N 6.01 0.65 -2.73 2.24 0.00 -1.95 -2.69 119.26 120.80 1s1i h ALA 145 Ca -0.46 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 53.94 1s1i h ALA 145 Cb 1.28 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.96 1s1i h ALA 145 CO 0.87 0.00 0.48 -0.98 0.00 0.00 0.00 179.25 179.62 1s1i s ARG 146 N -6.14 4.37 -0.88 0.00 3.03 -1.26 -1.40 118.95 116.67 1s1i s ARG 146 Ca -0.13 1.78 0.00 0.00 2.03 0.00 0.00 55.73 59.41 1s1i s ARG 146 Cb 0.13 -2.91 0.00 0.00 -1.03 0.00 0.00 34.95 31.14 1s1i s ARG 146 CO 0.74 -0.03 0.00 0.98 -1.13 0.00 0.00 175.30 175.86 1s1i n TYR 147 N 0.60 -0.02 -3.87 5.89 9.36 -1.26 -4.92 117.16 122.94 1s1i n TYR 147 Ca 0.02 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.99 1s1i n TYR 147 Cb 0.46 -1.73 0.00 0.00 -0.63 0.00 0.00 39.34 37.44 1s1i n TYR 147 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1s1i n ASN 148 N 0.63 2.65 0.00 2.98 3.02 -0.49 -4.53 115.26 119.52 1s1i n ASN 148 Ca -0.08 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 1s1i n ASN 148 Cb 0.29 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1s1i n ASN 148 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1s1i n TRP 149 N -1.70 0.00 -0.70 3.10 4.27 -1.26 -4.48 117.44 116.67 1s1i n TRP 149 Ca -0.02 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.67 1s1i n TRP 149 Cb 0.58 -1.35 0.31 0.00 -1.36 0.00 0.00 31.31 29.49 1s1i n TRP 149 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84 1s1i n ILE 150 N -2.04 1.98 -3.22 -1.67 -0.00 -1.26 -4.61 119.36 108.54 1s1i n ILE 150 Ca 0.00 -1.38 -0.01 0.00 -0.00 0.00 0.00 62.75 61.36 1s1i n ILE 150 Cb 0.09 0.02 -0.02 0.00 -0.00 0.00 0.00 39.64 39.74 1s1i n ILE 150 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1s1i n ASP 152 N 4.37 4.17 0.09 0.00 5.68 -1.26 -4.64 116.55 124.96 1s1i n ASP 152 Ca 0.11 -3.60 -0.05 0.00 -0.50 0.00 0.00 54.79 50.76 1s1i n ASP 152 Cb 0.56 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1s1i n ASP 152 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1s1i h PRO 153 N 2.80 0.00 0.00 0.11 0.13 -1.96 -2.78 132.00 130.30 1s1i h PRO 153 Ca 0.19 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.16 1s1i h PRO 153 Cb 0.76 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.75 1s1i h PRO 153 CO 0.79 0.85 -0.26 0.28 -0.23 0.00 0.00 178.00 179.43 1s1i n VAL 154 N -3.48 0.00 -0.01 1.56 0.31 -1.26 -4.85 118.33 110.61 1s1i n VAL 154 Ca -0.00 -0.85 -0.13 0.00 -0.01 0.00 0.00 64.34 63.35 1s1i n VAL 154 Cb 0.83 0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 34.58 1s1i n VAL 154 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1s1i h HIS 155 N 0.85 -0.01 0.00 3.52 2.07 -1.87 -3.40 115.15 116.31 1s1i h HIS 155 Ca -0.45 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1s1i h HIS 155 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 1s1i h HIS 155 CO -0.09 0.44 -0.55 0.36 -3.07 0.00 0.00 177.93 175.02 1s1i n LYS 156 N -4.88 0.29 -1.90 5.12 0.00 -1.26 -4.84 118.16 110.70 1s1i n LYS 156 Ca -0.08 0.12 -0.41 0.00 -0.00 0.00 0.00 58.31 57.93 1s1i n LYS 156 Cb 0.24 -0.99 -0.02 0.00 -0.00 0.00 0.00 35.03 34.26 1s1i n LYS 156 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1s1i s HIS 157 N -2.16 2.89 0.00 5.58 -3.43 -1.26 -4.79 115.29 112.11 1s1i s HIS 157 Ca -0.16 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 1s1i s HIS 157 Cb 0.02 -3.94 0.00 0.00 -1.43 0.00 0.00 32.58 27.23 1s1i s HIS 157 CO 0.24 -3.11 0.00 -2.13 -2.00 0.00 0.00 174.74 167.74 1s1i n ARG 158 N 2.23 0.00 -2.84 -0.38 0.63 -1.26 -4.26 116.66 110.78 1s1i n ARG 158 Ca 0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 1s1i n ARG 158 Cb 0.39 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.30 1s1i n ARG 158 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1s1i n GLU 159 N 0.00 3.97 -1.54 -0.14 0.00 -1.26 -4.83 120.64 116.84 1s1i n GLU 159 Ca 0.00 -4.15 -0.35 0.00 0.00 0.00 0.00 57.16 52.66 1s1i n GLU 159 Cb 0.00 -2.70 0.08 0.00 0.00 0.00 0.00 31.44 28.82 1s1i n GLU 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s1i s ALA 160 N -1.15 2.20 -0.42 4.31 0.00 -1.26 -2.15 121.76 123.29 1s1i s ALA 160 Ca 0.35 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1s1i s ALA 160 Cb 0.03 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.72 1s1i s ALA 160 CO 0.04 -1.76 0.60 0.54 0.00 0.00 0.00 175.76 175.18 1s1i n ARG 161 N -2.50 -2.03 0.00 0.00 5.12 -1.17 -4.70 116.66 111.38 1s1i n ARG 161 Ca 0.14 1.64 0.00 0.00 -1.93 0.00 0.00 57.85 57.69 1s1i n ARG 161 Cb 0.50 -3.15 0.00 0.00 -1.16 0.00 0.00 32.46 28.65 1s1i n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s1i n GLY 162 N -0.12 -1.39 0.53 -0.13 0.00 -1.01 -4.79 105.19 98.29 1s1i n GLY 162 Ca -0.02 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 1s1i n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s1i h LEU 163 N 0.00 -1.14 0.00 0.99 7.12 -1.71 -3.47 115.31 117.09 1s1i h LEU 163 Ca 0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1s1i h LEU 163 Cb 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1s1i h LEU 163 CO 0.00 -0.81 0.00 1.07 -0.13 0.00 0.00 178.44 178.57 1s1i n THR 164 N -5.67 0.00 -1.45 1.05 5.66 -1.26 -5.10 114.28 107.51 1s1i n THR 164 Ca -0.17 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.34 1s1i n THR 164 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1s1i n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s1i n ALA 165 N 0.00 1.05 -2.83 1.79 0.00 -1.26 -4.15 120.51 115.11 1s1i n ALA 165 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1s1i n ALA 165 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1s1i n ALA 165 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s1i n THR 166 N 7.26 0.00 0.00 0.00 -2.24 -1.12 -3.05 114.28 115.14 1s1i n THR 166 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 1s1i n THR 166 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1s1i n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s1i n GLY 167 N 0.00 -0.23 0.26 3.38 0.00 -1.26 -4.47 105.19 102.87 1s1i n GLY 167 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1s1i n GLY 167 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1s1i h LYS 168 N 0.00 0.59 -6.92 1.61 5.09 -1.90 -3.23 116.57 111.82 1s1i h LYS 168 Ca 0.00 -0.04 -0.46 0.00 0.09 0.00 0.00 60.65 60.24 1s1i h LYS 168 Cb 0.00 -0.13 -0.02 0.00 0.10 0.00 0.00 32.23 32.17 1s1i h LYS 168 CO 0.00 0.39 0.27 0.15 -2.09 0.00 0.00 179.45 178.17 1s1i s LYS 169 N -6.07 4.24 0.00 0.07 -0.14 -1.26 -2.13 119.74 114.45 1s1i s LYS 169 Ca -0.13 1.04 0.00 0.00 -1.36 0.00 0.00 55.97 55.52 1s1i s LYS 169 Cb 0.17 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1s1i s LYS 169 CO 0.76 0.10 0.00 -1.13 -0.76 0.00 0.00 175.35 174.32 1s1i n SER 170 N -0.27 -2.95 -3.03 2.83 3.41 -1.25 -2.77 113.62 109.59 1s1i n SER 170 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.56 1s1i n SER 170 Cb 0.53 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1s1i n SER 170 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1s1i s ARG 171 N -1.99 2.16 3.05 4.33 3.52 -0.91 -4.72 118.95 124.39 1s1i s ARG 171 Ca 0.00 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.13 1s1i s ARG 171 Cb 0.00 0.60 0.00 0.00 -1.56 0.00 0.00 34.95 33.99 1s1i s ARG 171 CO 0.00 -0.99 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 1s1i n GLY 172 N -0.53 1.56 1.67 8.12 0.00 -1.22 -3.82 105.19 110.97 1s1i n GLY 172 Ca -0.07 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1s1i n GLY 172 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s1i n ILE 173 N 0.00 2.34 0.00 -0.61 -6.64 -1.26 -4.74 119.36 108.45 1s1i n ILE 173 Ca 0.00 -1.04 0.00 0.00 -1.77 0.00 0.00 62.75 59.94 1s1i n ILE 173 Cb 0.00 -1.39 0.00 0.00 -1.44 0.00 0.00 39.64 36.81 1s1i n ILE 173 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1s1i n ASN 174 N 0.89 0.00 -3.46 7.28 6.94 -1.25 -4.66 115.26 121.00 1s1i n ASN 174 Ca 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.60 1s1i n ASN 174 Cb 0.55 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.95 1s1i n ASN 174 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1s1i s LYS 175 N -1.17 1.07 1.04 -3.83 2.47 -1.26 -2.86 119.74 115.21 1s1i s LYS 175 Ca 0.00 -0.34 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 1s1i s LYS 175 Cb 0.00 0.49 0.00 0.00 -1.46 0.00 0.00 37.83 36.86 1s1i s LYS 175 CO 0.00 -0.46 0.00 0.41 0.16 0.00 0.00 175.35 175.46 1s1i n GLY 176 N -0.22 -1.96 0.00 5.54 0.00 -1.26 -4.81 105.19 102.49 1s1i n GLY 176 Ca -0.14 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1s1i n GLY 176 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1s1i n HIS 177 N -0.42 0.00 -1.72 1.61 -0.00 -1.26 -5.01 115.22 108.43 1s1i n HIS 177 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 1s1i n HIS 177 Cb 0.01 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.91 1s1i n HIS 177 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1s1i n LYS 178 N 0.00 1.72 -0.64 1.57 4.76 -1.26 -3.50 118.16 120.82 1s1i n LYS 178 Ca 0.00 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1s1i n LYS 178 Cb 0.00 -2.48 0.00 0.00 -1.84 0.00 0.00 35.03 30.71 1s1i n LYS 178 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1s1i n PHE 179 N -0.82 -1.76 -1.49 2.13 3.72 -1.26 -4.69 117.46 113.30 1s1i n PHE 179 Ca 0.09 0.94 -0.14 0.00 -0.05 0.00 0.00 57.45 58.29 1s1i n PHE 179 Cb 0.43 -2.01 -0.06 0.00 -0.94 0.00 0.00 39.48 36.91 1s1i n PHE 179 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1s1i n ASN 180 N -0.96 -3.79 -1.81 4.37 6.94 -1.26 -4.72 115.26 114.03 1s1i n ASN 180 Ca 0.00 0.34 -0.20 0.00 -0.02 0.00 0.00 54.58 54.70 1s1i n ASN 180 Cb 0.00 -3.48 0.07 0.00 -2.36 0.00 0.00 39.78 34.01 1s1i n ASN 180 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1s1i n ASN 181 N -0.71 4.68 -4.58 0.53 2.85 -1.23 -4.85 115.26 111.95 1s1i n ASN 181 Ca -0.14 -3.78 -0.34 0.00 -0.11 0.00 0.00 54.58 50.21 1s1i n ASN 181 Cb 0.48 -0.50 -0.11 0.00 1.24 0.00 0.00 39.78 40.89 1s1i n ASN 181 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1s1i s THR 182 N -4.32 3.87 -1.41 -0.44 -1.32 -1.26 -4.24 115.64 106.52 1s1i s THR 182 Ca 0.51 -0.40 -0.09 0.00 -1.21 0.00 0.00 61.69 60.50 1s1i s THR 182 Cb 0.42 -2.63 0.02 0.00 -1.51 0.00 0.00 72.50 68.81 1s1i s THR 182 CO 0.01 0.57 1.09 1.17 -2.21 0.00 0.00 174.62 175.25 1s1i n LYS 183 N 2.60 -7.22 0.00 7.08 3.00 -1.26 -4.88 118.16 117.48 1s1i n LYS 183 Ca -0.18 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1s1i n LYS 183 Cb 0.53 -5.80 0.00 0.00 0.00 0.00 0.00 35.03 29.76 1s1i n LYS 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i n ALA 184 N -4.80 0.00 -1.98 3.14 0.00 -1.26 -4.70 120.51 110.91 1s1i n ALA 184 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1s1i n ALA 184 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1s1i n ALA 184 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s1i s GLY 185 N 0.00 0.10 0.13 0.00 0.00 -1.26 -3.89 107.32 102.40 1s1i s GLY 185 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 1s1i s GLY 185 CO 0.00 3.53 1.41 0.07 0.00 0.00 0.00 173.10 178.11 1s1i h ARG 186 N 14.46 0.82 0.00 2.90 -0.00 -1.89 -3.41 114.38 127.26 1s1i h ARG 186 Ca -0.17 -0.54 0.00 0.00 -0.00 0.00 0.00 59.98 59.27 1s1i h ARG 186 Cb 1.13 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 1s1i h ARG 186 CO 1.20 1.17 0.00 -2.13 -0.00 0.00 0.00 179.97 180.21 1s1i n ARG 187 N -3.99 0.00 -2.49 0.08 0.00 -1.26 -5.16 116.66 103.84 1s1i n ARG 187 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1s1i n ARG 187 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1s1i n ARG 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1s1i n LYS 188 N -2.25 0.00 0.01 -0.14 3.00 -1.25 -5.00 118.16 112.53 1s1i n LYS 188 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1s1i n LYS 188 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1s1i n LYS 188 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1s1i h THR 189 N 0.00 1.02 -3.76 3.15 2.02 -1.80 -3.39 112.91 110.15 1s1i h THR 189 Ca 0.00 -0.04 -0.53 0.00 0.77 0.00 0.00 66.41 66.62 1s1i h THR 189 Cb 0.00 0.90 0.07 0.00 -1.74 0.00 0.00 68.15 67.39 1s1i h THR 189 CO 0.00 0.02 0.70 0.86 0.37 0.00 0.00 175.52 177.47 1s1i s TRP 190 N -6.18 2.94 0.20 3.16 -0.00 -1.26 -3.33 118.94 114.46 1s1i s TRP 190 Ca -0.13 1.26 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 1s1i s TRP 190 Cb 0.07 -3.79 0.00 0.00 -0.00 0.00 0.00 33.47 29.75 1s1i s TRP 190 CO 0.67 -2.33 0.00 1.17 -0.00 0.00 0.00 176.95 176.46 1s1i n LYS 191 N 1.14 -2.34 -3.13 5.86 3.00 -1.26 -4.83 118.16 116.60 1s1i n LYS 191 Ca 0.02 1.71 -0.05 0.00 -0.00 0.00 0.00 58.31 59.98 1s1i n LYS 191 Cb 0.41 -1.89 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1s1i n LYS 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s1i n ARG 192 N -0.33 -1.53 -0.93 1.64 5.12 -1.26 -4.60 116.66 114.78 1s1i n ARG 192 Ca 0.00 1.50 -0.30 0.00 -1.93 0.00 0.00 57.85 57.12 1s1i n ARG 192 Cb 0.00 -5.22 -0.00 0.00 -1.16 0.00 0.00 32.46 26.08 1s1i n ARG 192 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1s1i n GLN 193 N -1.62 0.00 -1.55 5.56 3.00 -1.24 -4.54 117.38 116.99 1s1i n GLN 193 Ca -0.03 0.00 -0.49 0.00 -0.01 0.00 0.00 57.00 56.47 1s1i n GLN 193 Cb 0.52 -0.71 -0.04 0.00 0.00 0.00 0.00 30.24 30.01 1s1i n GLN 193 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1s1i n ASN 194 N 1.64 0.96 0.00 1.08 6.94 -1.21 -4.95 115.26 119.72 1s1i n ASN 194 Ca 0.08 1.15 0.06 0.00 -0.02 0.00 0.00 54.58 55.85 1s1i n ASN 194 Cb 0.27 -1.17 0.34 0.00 -2.36 0.00 0.00 39.78 36.87 1s1i n ASN 194 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64