#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ARG 2 N 0.00 3.96 -3.58 0.00 1.74 -1.26 -5.16 116.66 112.36 3i22 n ARG 2 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3i22 n ARG 2 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3i22 n ARG 2 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i22 s VAL 3 N 3.08 0.03 0.00 1.55 0.11 -1.26 -5.12 120.40 118.80 3i22 s VAL 3 Ca 0.00 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 3i22 s VAL 3 Cb 0.00 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3i22 s VAL 3 CO 0.00 -0.16 0.00 1.17 -3.33 0.00 0.00 175.10 172.78 3i22 n LYS 4 N 0.32 0.00 -2.17 1.54 4.81 -1.26 -5.04 118.16 116.36 3i22 n LYS 4 Ca -0.18 0.05 -0.05 0.00 -0.87 0.00 0.00 58.31 57.26 3i22 n LYS 4 Cb 0.61 -0.49 0.02 0.00 0.02 0.00 0.00 35.03 35.19 3i22 n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i22 n ARG 5 N -0.78 -0.81 0.00 1.64 1.74 -1.26 -5.02 116.66 112.18 3i22 n ARG 5 Ca 0.00 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3i22 n ARG 5 Cb 0.00 -3.18 0.00 0.00 -1.02 0.00 0.00 32.46 28.26 3i22 n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i22 n GLY 6 N -1.38 -0.66 0.19 -0.13 0.00 -1.26 -4.62 105.19 97.34 3i22 n GLY 6 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i22 n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i22 n VAL 7 N -1.73 0.00 -2.55 1.61 0.24 -1.26 -1.01 118.33 113.63 3i22 n VAL 7 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 3i22 n VAL 7 Cb 0.00 -0.23 0.03 0.00 -1.47 0.00 0.00 33.84 32.17 3i22 n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i22 n ILE 8 N -0.25 0.39 0.00 1.34 3.06 -1.26 -4.82 119.36 117.82 3i22 n ILE 8 Ca 0.00 -1.46 0.00 0.00 -2.50 0.00 0.00 62.75 58.79 3i22 n ILE 8 Cb 0.07 1.03 0.00 0.00 0.54 0.00 0.00 39.64 41.28 3i22 n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i22 n ALA 9 N -0.09 0.99 0.55 1.51 0.00 -0.18 -4.70 120.51 118.60 3i22 n ALA 9 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3i22 n ALA 9 Cb 0.96 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.56 3i22 n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i22 n ARG 10 N -0.02 0.28 0.18 0.00 1.85 -1.13 -2.18 116.66 115.64 3i22 n ARG 10 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 3i22 n ARG 10 Cb 0.00 -1.28 -0.04 0.00 -1.05 0.00 0.00 32.46 30.09 3i22 n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i22 h ALA 11 N 2.11 -0.66 0.03 2.89 0.00 -1.88 -0.54 119.26 121.21 3i22 h ALA 11 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i22 h ALA 11 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i22 h ALA 11 CO 0.00 -0.62 -0.08 0.07 0.00 0.00 0.00 179.25 178.62 3i22 h ARG 12 N -0.85 -0.15 -0.90 0.00 -0.00 -1.79 -1.98 114.38 108.72 3i22 h ARG 12 Ca -0.05 0.01 0.25 0.00 -0.00 0.00 0.00 59.98 60.18 3i22 h ARG 12 Cb 0.39 0.03 -0.14 0.00 -0.00 0.00 0.00 29.97 30.25 3i22 h ARG 12 CO 0.09 -0.10 0.30 0.45 -0.00 0.00 0.00 179.97 180.71 3i22 h HIS 13 N -0.16 0.47 -0.50 4.08 3.86 -1.62 0.70 115.15 121.98 3i22 h HIS 13 Ca 0.02 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3i22 h HIS 13 Cb 0.18 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3i22 h HIS 13 CO -0.13 -0.19 0.09 -0.22 0.86 0.00 0.00 177.93 178.34 3i22 h LYS 14 N 0.24 0.78 0.20 2.45 3.64 -0.70 -1.76 116.57 121.43 3i22 h LYS 14 Ca 0.58 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 3i22 h LYS 14 Cb 1.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3i22 h LYS 14 CO -0.64 0.73 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.96 3i22 h LYS 15 N 0.75 -0.26 -0.42 1.90 3.11 0.11 -1.37 116.57 120.39 3i22 h LYS 15 Ca 0.16 0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.87 3i22 h LYS 15 Cb 0.33 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 3i22 h LYS 15 CO 0.00 -0.01 -0.32 0.82 -2.81 0.00 0.00 179.45 177.13 3i22 h ILE 16 N -0.49 1.27 0.00 2.00 5.03 -1.44 -2.47 117.51 121.41 3i22 h ILE 16 Ca -0.03 -1.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.22 3i22 h ILE 16 Cb 0.37 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 3i22 h ILE 16 CO 0.05 0.50 0.02 0.25 -0.68 0.00 0.00 178.15 178.29 3i22 h LEU 17 N 0.80 0.00 0.03 1.44 5.85 -1.26 -0.98 115.31 121.19 3i22 h LEU 17 Ca 0.08 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.48 3i22 h LEU 17 Cb 0.91 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 3i22 h LEU 17 CO 0.08 0.00 -1.85 1.17 -0.34 0.00 0.00 178.44 177.51 3i22 n LYS 18 N -2.86 0.67 0.18 1.25 0.00 -0.52 -3.52 118.16 113.36 3i22 n LYS 18 Ca -0.03 0.27 0.14 0.00 0.00 0.00 0.00 58.31 58.69 3i22 n LYS 18 Cb 0.08 -1.75 0.56 0.00 0.00 0.00 0.00 35.03 33.93 3i22 n LYS 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3i22 h GLN 19 N 0.02 0.00 -0.02 1.64 4.20 -0.77 -3.16 115.11 117.02 3i22 h GLN 19 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3i22 h GLN 19 Cb 2.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.81 3i22 h GLN 19 CO 0.07 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.20 3i22 n ALA 20 N -1.88 2.55 -2.17 3.87 0.00 -0.90 -4.95 120.51 117.02 3i22 n ALA 20 Ca 0.02 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 3i22 n ALA 20 Cb 0.25 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 3i22 n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i22 s LYS 21 N -1.42 4.14 0.00 0.00 -0.14 -1.20 -2.99 119.74 118.13 3i22 s LYS 21 Ca 0.18 1.92 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 3i22 s LYS 21 Cb 0.13 -3.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.37 3i22 s LYS 21 CO 0.23 -0.87 0.00 0.41 -0.76 0.00 0.00 175.35 174.36 3i22 n GLY 22 N 4.04 1.17 0.00 -3.33 0.00 -1.26 -5.09 105.19 100.72 3i22 n GLY 22 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i22 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i22 n TYR 23 N 0.00 0.00 -4.10 1.61 0.53 -1.16 -5.10 117.16 108.95 3i22 n TYR 23 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.81 3i22 n TYR 23 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.21 3i22 n TYR 23 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 3i22 s TYR 24 N 0.00 0.56 0.00 -0.72 5.04 -1.26 -4.86 117.35 116.10 3i22 s TYR 24 Ca 0.00 -1.08 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 3i22 s TYR 24 Cb 0.00 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.91 3i22 s TYR 24 CO 0.00 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 3i22 n GLY 25 N 0.09 0.84 0.00 8.97 0.00 -1.26 -1.66 105.19 112.17 3i22 n GLY 25 Ca -0.13 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.20 3i22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 26 N 2.77 1.72 0.33 4.61 0.00 -1.26 -2.50 120.51 126.17 3i22 n ALA 26 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3i22 n ALA 26 Cb 0.00 -1.13 0.43 0.00 0.00 0.00 0.00 19.45 18.75 3i22 n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i22 h ARG 27 N 0.00 0.00 -0.70 0.00 2.43 -1.61 0.64 114.38 115.14 3i22 h ARG 27 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 3i22 h ARG 27 Cb 0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.16 3i22 h ARG 27 CO 0.00 0.00 -0.82 -1.13 -1.51 0.00 0.00 179.97 176.51 3i22 n SER 28 N -2.84 4.62 0.00 -3.80 3.41 -1.04 -3.91 113.62 110.06 3i22 n SER 28 Ca 0.03 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 3i22 n SER 28 Cb 0.39 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3i22 n SER 28 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3i22 n ARG 29 N -0.72 0.00 -3.98 4.33 1.85 -1.19 -4.73 116.66 112.22 3i22 n ARG 29 Ca 0.41 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.91 3i22 n ARG 29 Cb 0.95 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 32.23 3i22 n ARG 29 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i22 s VAL 30 N -0.15 3.63 0.09 8.89 1.01 0.21 -5.04 120.40 129.04 3i22 s VAL 30 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3i22 s VAL 30 Cb 0.00 -2.65 -0.14 0.00 0.00 0.00 0.00 36.38 33.59 3i22 s VAL 30 CO 0.00 0.42 1.62 0.22 0.00 0.00 0.00 175.10 177.36 3i22 h TYR 31 N 7.89 -0.87 -0.84 5.22 3.20 -1.95 -0.94 116.97 128.68 3i22 h TYR 31 Ca -0.39 0.00 0.24 0.00 3.14 0.00 0.00 58.73 61.73 3i22 h TYR 31 Cb 1.17 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.74 3i22 h TYR 31 CO 0.59 -0.47 0.85 0.00 -1.64 0.00 0.00 178.16 177.49 3i22 h ARG 32 N -0.72 0.00 0.03 1.82 3.08 -1.96 0.16 114.38 116.79 3i22 h ARG 32 Ca -0.03 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.66 3i22 h ARG 32 Cb 0.63 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 3i22 h ARG 32 CO -0.02 0.00 -2.15 0.28 -1.07 0.00 0.00 179.97 177.01 3i22 n VAL 33 N -3.61 1.57 -0.16 2.04 0.31 -0.72 -4.37 118.33 113.39 3i22 n VAL 33 Ca 0.18 -0.72 -0.11 0.00 -0.01 0.00 0.00 64.34 63.68 3i22 n VAL 33 Cb 1.13 -1.16 0.01 0.00 -0.91 0.00 0.00 33.84 32.91 3i22 n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i22 h ALA 34 N 0.52 0.72 -0.15 3.52 0.00 0.56 -2.80 119.26 121.63 3i22 h ALA 34 Ca -0.46 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.09 3i22 h ALA 34 Cb 2.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 3i22 h ALA 34 CO 0.03 0.67 -0.39 0.35 0.00 0.00 0.00 179.25 179.91 3i22 h PHE 35 N 0.86 -1.17 -0.05 0.00 3.04 -1.31 0.18 116.94 118.49 3i22 h PHE 35 Ca 0.12 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.13 3i22 h PHE 35 Cb 0.77 0.53 -0.00 0.00 2.56 0.00 0.00 35.95 39.81 3i22 h PHE 35 CO 0.05 -0.38 0.15 1.96 -2.02 0.00 0.00 178.31 178.07 3i22 h GLN 36 N -0.38 0.00 0.00 1.11 4.20 -1.75 -2.04 115.11 116.25 3i22 h GLN 36 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3i22 h GLN 36 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3i22 h GLN 36 CO -0.34 0.00 -0.87 0.00 -0.67 0.00 0.00 178.83 176.95 3i22 n ALA 37 N -2.11 3.28 -0.04 3.87 0.00 0.39 -2.74 120.51 123.17 3i22 n ALA 37 Ca -0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 3i22 n ALA 37 Cb 0.22 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 3i22 n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i22 n VAL 38 N -1.97 1.65 0.38 0.00 0.31 0.15 -3.30 118.33 115.55 3i22 n VAL 38 Ca 0.03 -0.69 -0.18 0.00 -0.01 0.00 0.00 64.34 63.48 3i22 n VAL 38 Cb 0.43 -1.39 -0.09 0.00 -0.91 0.00 0.00 33.84 31.88 3i22 n VAL 38 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3i22 h ILE 39 N 0.03 0.29 -0.11 2.52 1.08 -1.52 0.72 117.51 120.52 3i22 h ILE 39 Ca -0.43 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 3i22 h ILE 39 Cb 2.03 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 3i22 h ILE 39 CO 0.05 0.00 -0.20 0.11 -0.69 0.00 0.00 178.15 177.42 3i22 h LYS 40 N -0.95 -0.25 -0.90 2.37 1.79 -1.73 0.56 116.57 117.46 3i22 h LYS 40 Ca -0.09 0.02 0.19 0.00 -2.18 0.00 0.00 60.65 58.59 3i22 h LYS 40 Cb 0.74 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.33 3i22 h LYS 40 CO 0.14 -0.17 0.46 0.00 -1.08 0.00 0.00 179.45 178.80 3i22 h ALA 41 N 0.73 1.44 -0.30 3.86 0.00 -1.52 0.36 119.26 123.84 3i22 h ALA 41 Ca 0.09 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3i22 h ALA 41 Cb 0.39 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i22 h ALA 41 CO -0.26 -0.21 -0.36 0.78 0.00 0.00 0.00 179.25 179.20 3i22 h GLY 42 N 0.54 0.75 0.79 0.00 0.00 0.20 0.14 103.07 105.49 3i22 h GLY 42 Ca 0.53 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3i22 h GLY 42 CO -0.44 0.66 -0.38 1.46 0.00 0.00 0.00 176.54 177.84 3i22 h GLN 43 N 0.58 -1.02 -1.22 4.80 4.20 0.17 -2.18 115.11 120.44 3i22 h GLN 43 Ca 0.06 0.07 0.35 0.00 0.06 0.00 0.00 58.65 59.19 3i22 h GLN 43 Cb 0.88 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.82 3i22 h GLN 43 CO 0.08 -0.68 0.84 1.88 -0.67 0.00 0.00 178.83 180.28 3i22 h TYR 44 N -1.26 0.29 0.00 2.96 0.99 -0.39 -1.68 116.97 117.87 3i22 h TYR 44 Ca -0.11 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3i22 h TYR 44 Cb 0.81 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.46 3i22 h TYR 44 CO 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.15 3i22 n ALA 45 N -2.65 -0.34 -0.37 3.88 0.00 0.03 -1.69 120.51 119.38 3i22 n ALA 45 Ca 0.29 0.00 0.28 0.00 0.00 0.00 0.00 53.44 54.00 3i22 n ALA 45 Cb 1.21 0.00 0.55 0.00 0.00 0.00 0.00 19.45 21.22 3i22 n ALA 45 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i22 h TYR 46 N 0.00 0.65 -0.22 0.00 3.20 -1.01 -2.20 116.97 117.40 3i22 h TYR 46 Ca 0.00 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.70 3i22 h TYR 46 Cb 0.00 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.10 3i22 h TYR 46 CO 0.16 -0.07 -0.63 -0.09 -1.64 0.00 0.00 178.16 175.89 3i22 h ARG 47 N 0.28 0.82 0.00 1.82 2.43 -1.27 -2.85 114.38 115.61 3i22 h ARG 47 Ca 0.69 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3i22 h ARG 47 Cb 1.90 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 3i22 h ARG 47 CO -0.38 1.21 0.00 -0.25 -1.51 0.00 0.00 179.97 179.03 3i22 n ASP 48 N -4.01 0.00 0.28 -3.80 10.43 -0.68 -1.88 116.55 116.90 3i22 n ASP 48 Ca -0.06 -0.49 0.14 0.00 2.57 0.00 0.00 54.79 56.95 3i22 n ASP 48 Cb 0.67 -0.16 0.82 0.00 1.84 0.00 0.00 41.12 44.28 3i22 n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3i22 h ARG 49 N 0.00 0.00 0.00 -1.24 9.65 -1.23 -1.85 114.38 119.71 3i22 h ARG 49 Ca 0.00 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.51 3i22 h ARG 49 Cb 0.16 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 3i22 h ARG 49 CO 0.00 0.08 -2.07 0.54 2.80 0.00 0.00 179.97 181.32 3i22 n ARG 50 N -3.59 0.58 -0.36 0.20 3.00 -0.79 -4.25 116.66 111.45 3i22 n ARG 50 Ca -0.02 0.35 0.04 0.00 -0.01 0.00 0.00 57.85 58.21 3i22 n ARG 50 Cb 0.19 -1.56 0.11 0.00 0.00 0.00 0.00 32.46 31.20 3i22 n ARG 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3i22 n GLN 51 N -4.32 -0.12 -0.30 5.56 1.13 -1.13 -0.93 117.38 117.27 3i22 n GLN 51 Ca -0.45 1.51 0.11 0.00 -1.94 0.00 0.00 57.00 56.22 3i22 n GLN 51 Cb 0.80 -2.25 0.27 0.00 0.11 0.00 0.00 30.24 29.17 3i22 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3i22 h ARG 52 N 0.00 0.46 0.00 -1.09 2.43 -1.52 0.31 114.38 114.97 3i22 h ARG 52 Ca 0.43 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 3i22 h ARG 52 Cb 0.68 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3i22 h ARG 52 CO -0.99 0.30 -0.19 0.87 -1.51 0.00 0.00 179.97 178.45 3i22 h LYS 53 N 0.47 0.00 0.00 0.20 1.57 -1.21 -2.65 116.57 114.95 3i22 h LYS 53 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3i22 h LYS 53 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3i22 h LYS 53 CO -0.47 0.19 -1.47 0.54 -0.57 0.00 0.00 179.45 177.68 3i22 n ARG 54 N -3.17 0.60 0.01 3.15 3.00 -0.22 -4.03 116.66 116.00 3i22 n ARG 54 Ca 0.03 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.85 57.74 3i22 n ARG 54 Cb 0.57 -1.67 -0.14 0.00 0.00 0.00 0.00 32.46 31.23 3i22 n ARG 54 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3i22 h GLN 55 N 0.00 0.03 0.00 5.56 1.08 -0.46 -3.00 115.11 118.32 3i22 h GLN 55 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3i22 h GLN 55 Cb 0.97 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3i22 h GLN 55 CO 0.00 0.70 0.00 1.19 -0.95 0.00 0.00 178.83 179.77 3i22 n PHE 56 N -3.17 0.00 -0.07 2.96 3.01 -1.00 -3.06 117.46 116.13 3i22 n PHE 56 Ca -0.13 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.26 3i22 n PHE 56 Cb 1.02 -0.41 -0.04 0.00 -0.01 0.00 0.00 39.48 40.05 3i22 n PHE 56 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3i22 h ARG 57 N 0.00 0.00 -0.88 -1.08 1.12 -1.69 -3.04 114.38 108.82 3i22 h ARG 57 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3i22 h ARG 57 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 3i22 h ARG 57 CO 0.00 0.23 0.00 1.04 -3.11 0.00 0.00 179.97 178.13 3i22 n GLN 58 N -4.64 0.43 0.03 0.20 6.02 -1.14 -2.39 117.38 115.89 3i22 n GLN 58 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3i22 n GLN 58 Cb 0.27 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3i22 n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i22 n LEU 59 N 0.48 0.44 0.34 1.08 -0.00 -1.17 -4.47 117.00 113.70 3i22 n LEU 59 Ca 0.00 0.10 -0.19 0.00 -0.00 0.00 0.00 56.01 55.92 3i22 n LEU 59 Cb 0.15 -0.10 -0.10 0.00 -0.00 0.00 0.00 43.42 43.37 3i22 n LEU 59 CO 0.00 -0.41 0.54 -0.50 -0.00 0.00 0.00 177.39 177.02 3i22 h TRP 60 N 0.00 -1.33 -0.92 1.96 6.55 -1.36 -2.30 115.95 118.55 3i22 h TRP 60 Ca 0.00 0.00 0.20 0.00 0.95 0.00 0.00 58.89 60.04 3i22 h TRP 60 Cb 0.43 0.50 -0.17 0.00 -0.86 0.00 0.00 29.16 29.07 3i22 h TRP 60 CO 0.00 -0.68 -0.14 0.82 -1.05 0.00 0.00 178.44 177.39 3i22 h ILE 61 N -1.05 0.10 -0.94 1.49 5.03 -1.77 0.24 117.51 120.60 3i22 h ILE 61 Ca -0.07 -0.00 0.29 0.00 -0.12 0.00 0.00 64.86 64.95 3i22 h ILE 61 Cb 0.89 0.08 -0.16 0.00 -3.03 0.00 0.00 36.82 34.60 3i22 h ILE 61 CO -0.01 0.00 0.30 0.00 -0.68 0.00 0.00 178.15 177.77 3i22 h ALA 62 N 1.91 1.52 0.02 1.87 0.00 -1.63 0.33 119.26 123.27 3i22 h ALA 62 Ca 0.47 0.25 -0.17 0.00 0.00 0.00 0.00 54.91 55.46 3i22 h ALA 62 Cb 0.81 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3i22 h ALA 62 CO -0.91 -0.59 -0.93 0.07 0.00 0.00 0.00 179.25 176.89 3i22 h ARG 63 N 0.15 0.04 -1.08 0.00 -0.00 -0.56 -3.22 114.38 109.71 3i22 h ARG 63 Ca 0.64 -0.07 0.33 0.00 -0.00 0.00 0.00 59.98 60.88 3i22 h ARG 63 Cb 1.43 0.03 -0.13 0.00 -0.00 0.00 0.00 29.97 31.29 3i22 h ARG 63 CO -0.72 1.03 0.65 0.82 -0.00 0.00 0.00 179.97 181.75 3i22 h ILE 64 N -0.88 0.33 -0.08 0.08 1.08 -0.36 1.38 117.51 119.05 3i22 h ILE 64 Ca -0.24 -0.11 -0.08 0.00 -0.39 0.00 0.00 64.86 64.04 3i22 h ILE 64 Cb 1.30 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 3i22 h ILE 64 CO -0.11 0.06 -0.32 -1.13 -0.69 0.00 0.00 178.15 175.96 3i22 h ASN 65 N 0.31 0.16 0.10 1.72 -1.24 -0.49 0.31 115.58 116.45 3i22 h ASN 65 Ca 0.72 -0.05 -0.32 0.00 0.71 0.00 0.00 56.30 57.36 3i22 h ASN 65 Cb 1.80 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 40.79 3i22 h ASN 65 CO -0.49 0.48 -1.69 0.00 -1.29 0.00 0.00 177.43 174.44 3i22 h ALA 66 N 1.54 0.32 0.00 1.57 0.00 0.14 0.74 119.26 123.57 3i22 h ALA 66 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3i22 h ALA 66 Cb 0.64 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i22 h ALA 66 CO 0.05 1.05 0.00 0.00 0.00 0.00 0.00 179.25 180.35 3i22 h ALA 67 N -0.08 1.00 0.00 0.00 0.00 0.39 1.19 119.26 121.77 3i22 h ALA 67 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3i22 h ALA 67 Cb 1.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3i22 h ALA 67 CO 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.17 3i22 h ALA 68 N 2.13 0.02 -0.31 0.00 0.00 -0.45 -3.13 119.26 117.52 3i22 h ALA 68 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.51 3i22 h ALA 68 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i22 h ALA 68 CO 0.00 0.06 0.23 -0.09 0.00 0.00 0.00 179.25 179.45 3i22 h ARG 69 N -1.00 0.00 -0.01 0.00 9.65 0.56 -2.24 114.38 121.34 3i22 h ARG 69 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3i22 h ARG 69 Cb 0.89 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 3i22 h ARG 69 CO -0.02 0.00 -0.45 0.94 2.80 0.00 0.00 179.97 183.24 3i22 n GLN 70 N -4.42 1.06 -1.21 0.20 -0.06 0.40 -4.12 117.38 109.22 3i22 n GLN 70 Ca 0.05 -0.82 -0.04 0.00 -2.00 0.00 0.00 57.00 54.18 3i22 n GLN 70 Cb 0.40 -1.48 0.13 0.00 -4.06 0.00 0.00 30.24 25.22 3i22 n GLN 70 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3i22 n ASN 71 N -0.25 2.71 0.00 1.69 5.15 -0.85 -5.04 115.26 118.67 3i22 n ASN 71 Ca 0.10 -3.66 0.00 0.00 -0.60 0.00 0.00 54.58 50.42 3i22 n ASN 71 Cb 0.43 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 3i22 n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i22 n GLY 72 N -0.86 2.50 3.80 8.20 0.00 -1.16 -4.97 105.19 112.70 3i22 n GLY 72 Ca 0.26 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3i22 n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i22 s ILE 73 N 0.00 4.82 1.05 -0.61 1.10 -1.16 -4.86 121.20 121.53 3i22 s ILE 73 Ca 0.00 -0.37 -0.16 0.00 -0.51 0.00 0.00 60.65 59.61 3i22 s ILE 73 Cb 0.00 -3.20 0.22 0.00 0.15 0.00 0.00 42.46 39.62 3i22 s ILE 73 CO 0.00 0.35 1.16 -0.94 -2.11 0.00 0.00 174.94 173.40 3i22 s SER 74 N -1.74 2.30 0.08 4.50 1.04 -1.26 -3.15 113.70 115.46 3i22 s SER 74 Ca 0.23 0.73 -0.24 0.00 0.48 0.00 0.00 55.95 57.15 3i22 s SER 74 Cb -0.12 -1.08 -0.16 0.00 0.10 0.00 0.00 66.02 64.76 3i22 s SER 74 CO 0.14 -3.28 1.68 0.22 0.98 0.00 0.00 173.24 172.98 3i22 h TYR 75 N -2.00 -0.02 -0.44 5.02 3.20 -1.86 -0.60 116.97 120.26 3i22 h TYR 75 Ca -0.48 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.44 3i22 h TYR 75 Cb 1.30 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.51 3i22 h TYR 75 CO -0.92 0.04 -0.39 1.03 -1.64 0.00 0.00 178.16 176.27 3i22 h SER 76 N -0.08 -1.37 0.00 -2.11 0.87 -1.95 0.84 113.55 109.75 3i22 h SER 76 Ca -0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3i22 h SER 76 Cb 0.07 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3i22 h SER 76 CO 0.00 -0.23 0.00 0.29 -0.53 0.00 0.00 176.83 176.36 3i22 n LYS 77 N -4.55 0.98 -0.00 2.24 5.02 -1.21 -3.87 118.16 116.76 3i22 n LYS 77 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3i22 n LYS 77 Cb 0.21 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3i22 n LYS 77 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3i22 h PHE 78 N 0.00 0.00 -0.48 2.13 -0.00 0.83 -3.15 116.94 116.27 3i22 h PHE 78 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.97 58.11 3i22 h PHE 78 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 3i22 h PHE 78 CO 0.00 0.00 0.36 0.97 -0.00 0.00 0.00 178.31 179.64 3i22 h ILE 79 N -0.08 0.70 0.31 1.41 -0.00 -1.67 0.80 117.51 118.97 3i22 h ILE 79 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 3i22 h ILE 79 Cb 0.00 0.74 -0.01 0.00 -0.00 0.00 0.00 36.82 37.56 3i22 h ILE 79 CO 0.00 0.00 -0.24 -1.13 -0.00 0.00 0.00 178.15 176.78 3i22 h ASN 80 N 0.00 -0.62 -0.17 2.19 -0.00 -1.72 0.17 115.58 115.43 3i22 h ASN 80 Ca 0.23 0.04 0.05 0.00 -0.00 0.00 0.00 56.30 56.62 3i22 h ASN 80 Cb 0.95 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.46 3i22 h ASN 80 CO -0.00 -0.34 0.22 1.23 -0.00 0.00 0.00 177.43 178.53 3i22 h GLY 81 N -0.53 0.00 0.43 1.57 0.00 -1.09 0.55 103.07 104.01 3i22 h GLY 81 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3i22 h GLY 81 CO 0.01 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.90 3i22 h LEU 82 N 0.00 -0.15 -0.42 3.11 3.38 -0.59 -1.69 115.31 118.95 3i22 h LEU 82 Ca 0.08 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 3i22 h LEU 82 Cb 0.51 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3i22 h LEU 82 CO -0.00 0.38 -0.10 0.50 0.09 0.00 0.00 178.44 179.31 3i22 h LYS 83 N -0.74 0.81 0.00 1.13 3.64 0.55 -1.73 116.57 120.22 3i22 h LYS 83 Ca -0.02 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3i22 h LYS 83 Cb 0.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3i22 h LYS 83 CO 0.03 0.93 0.00 0.87 -2.27 0.00 0.00 179.45 179.01 3i22 h LYS 84 N 0.63 0.00 -1.73 1.90 1.79 -0.05 -1.93 116.57 117.18 3i22 h LYS 84 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3i22 h LYS 84 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3i22 h LYS 84 CO 0.04 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.41 3i22 n ALA 85 N -2.03 3.37 -2.03 3.86 0.00 -0.64 -4.85 120.51 118.20 3i22 n ALA 85 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i22 n ALA 85 Cb 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3i22 n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i22 n SER 86 N 1.25 -9.28 0.00 0.00 2.88 -0.73 -4.76 113.62 102.98 3i22 n SER 86 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 3i22 n SER 86 Cb 0.46 -5.16 0.00 0.00 -0.75 0.00 0.00 64.21 58.76 3i22 n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i22 n VAL 87 N 1.45 0.00 -2.43 2.46 0.31 -1.22 -4.89 118.33 114.00 3i22 n VAL 87 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3i22 n VAL 87 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3i22 n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i22 n GLU 88 N 14.00 -4.54 0.00 5.55 0.00 -1.26 -4.31 120.64 130.08 3i22 n GLU 88 Ca 0.00 3.33 0.00 0.00 0.00 0.00 0.00 57.16 60.49 3i22 n GLU 88 Cb 0.00 -4.39 0.00 0.00 0.00 0.00 0.00 31.44 27.05 3i22 n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3i22 n ILE 89 N 1.86 0.00 -0.64 6.31 2.08 -1.26 -4.35 119.36 123.36 3i22 n ILE 89 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 3i22 n ILE 89 Cb 0.19 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 3i22 n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3i22 n ASP 90 N -2.49 -3.53 -1.40 4.38 10.43 -1.26 -4.51 116.55 118.17 3i22 n ASP 90 Ca 0.00 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.44 3i22 n ASP 90 Cb 0.48 -2.45 -0.05 0.00 1.84 0.00 0.00 41.12 40.94 3i22 n ASP 90 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i22 n ARG 91 N 0.42 -3.14 0.15 -1.24 1.74 -1.26 -3.65 116.66 109.68 3i22 n ARG 91 Ca 0.00 2.51 0.04 0.00 -0.77 0.00 0.00 57.85 59.63 3i22 n ARG 91 Cb 0.29 -3.46 0.08 0.00 -1.02 0.00 0.00 32.46 28.36 3i22 n ARG 91 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i22 h LYS 92 N -0.73 0.00 -0.08 5.56 1.57 -1.99 -3.24 116.57 117.66 3i22 h LYS 92 Ca -0.10 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3i22 h LYS 92 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3i22 h LYS 92 CO 0.04 0.45 -0.17 0.97 -0.57 0.00 0.00 179.45 180.16 3i22 h ILE 93 N 0.00 1.41 0.00 1.86 2.10 -1.94 -2.94 117.51 118.00 3i22 h ILE 93 Ca -0.00 -1.48 0.00 0.00 1.08 0.00 0.00 64.86 64.46 3i22 h ILE 93 Cb 1.29 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 39.19 3i22 h ILE 93 CO 0.06 0.42 0.00 0.18 -1.08 0.00 0.00 178.15 177.73 3i22 n LEU 94 N -4.57 0.91 -1.11 2.19 4.77 -1.23 0.11 117.00 118.07 3i22 n LEU 94 Ca -0.08 -0.45 0.08 0.00 -0.03 0.00 0.00 56.01 55.53 3i22 n LEU 94 Cb 0.40 -0.40 0.28 0.00 -2.33 0.00 0.00 43.42 41.36 3i22 n LEU 94 CO 0.39 0.21 0.74 0.00 -1.33 0.00 0.00 177.39 177.40 3i22 n ALA 95 N 0.13 2.97 1.01 -1.18 0.00 -1.11 -4.22 120.51 118.12 3i22 n ALA 95 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 53.44 51.68 3i22 n ALA 95 Cb 0.21 -0.77 0.58 0.00 0.00 0.00 0.00 19.45 19.48 3i22 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i22 n ASP 96 N 0.17 0.00 0.00 0.00 5.68 0.31 -2.24 116.55 120.47 3i22 n ASP 96 Ca 0.21 0.26 0.07 0.00 -0.50 0.00 0.00 54.79 54.83 3i22 n ASP 96 Cb 0.84 -0.41 0.34 0.00 -1.14 0.00 0.00 41.12 40.75 3i22 n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3i22 n ILE 97 N -1.41 0.70 0.27 2.12 -5.35 -1.26 -0.45 119.36 113.97 3i22 n ILE 97 Ca 0.09 0.17 0.16 0.00 -0.27 0.00 0.00 62.75 62.90 3i22 n ILE 97 Cb 0.26 -0.94 0.62 0.00 -1.74 0.00 0.00 39.64 37.83 3i22 n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i22 h ALA 98 N 2.63 1.00 0.19 -1.28 0.00 -1.70 -2.89 119.26 117.20 3i22 h ALA 98 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 3i22 h ALA 98 Cb 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i22 h ALA 98 CO 0.00 0.02 -1.72 0.28 0.00 0.00 0.00 179.25 177.83 3i22 h VAL 99 N 0.00 0.96 0.00 0.00 2.07 -1.00 -3.42 116.25 114.86 3i22 h VAL 99 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3i22 h VAL 99 Cb 0.58 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3i22 h VAL 99 CO 0.00 0.85 0.00 0.49 0.02 0.00 0.00 177.57 178.93 3i22 n PHE 100 N -3.62 0.00 -2.64 1.57 3.01 -1.21 -4.75 117.46 109.81 3i22 n PHE 100 Ca -0.24 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.80 3i22 n PHE 100 Cb 1.07 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.52 3i22 n PHE 100 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i22 s ASP 101 N -1.00 6.62 0.40 4.37 3.68 -1.10 -4.82 116.67 124.83 3i22 s ASP 101 Ca 0.00 -1.84 0.09 0.00 2.13 0.00 0.00 52.55 52.93 3i22 s ASP 101 Cb 0.00 -2.54 0.84 0.00 -1.45 0.00 0.00 42.92 39.78 3i22 s ASP 101 CO 0.00 -1.33 1.97 0.11 0.13 0.00 0.00 175.17 176.05 3i22 h LYS 102 N 9.03 0.30 -0.26 4.34 1.57 -1.82 -2.67 116.57 127.05 3i22 h LYS 102 Ca 0.25 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3i22 h LYS 102 Cb 0.97 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3i22 h LYS 102 CO 1.38 0.34 0.04 0.28 -0.57 0.00 0.00 179.45 180.92 3i22 h VAL 103 N 0.29 1.23 0.14 0.50 2.07 -1.91 -0.99 116.25 117.58 3i22 h VAL 103 Ca 0.07 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3i22 h VAL 103 Cb 0.23 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3i22 h VAL 103 CO 0.01 0.25 -0.33 0.00 0.02 0.00 0.00 177.57 177.52 3i22 h ALA 104 N 0.86 -0.57 -0.29 1.67 0.00 -1.82 -1.72 119.26 117.39 3i22 h ALA 104 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i22 h ALA 104 Cb 0.33 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3i22 h ALA 104 CO 0.00 -0.88 0.01 0.35 0.00 0.00 0.00 179.25 178.73 3i22 h PHE 105 N -0.56 0.44 0.00 0.00 3.04 -1.48 0.41 116.94 118.79 3i22 h PHE 105 Ca 0.03 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 3i22 h PHE 105 Cb 0.59 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 3i22 h PHE 105 CO -0.29 0.44 -0.23 1.15 -2.02 0.00 0.00 178.31 177.37 3i22 h THR 106 N 0.42 1.12 0.00 4.41 2.02 -0.82 -0.27 112.91 119.80 3i22 h THR 106 Ca 0.09 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3i22 h THR 106 Cb 0.27 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3i22 h THR 106 CO 0.01 0.23 -0.58 0.00 0.37 0.00 0.00 175.52 175.54 3i22 n ALA 107 N -2.48 3.18 0.61 6.16 0.00 -0.57 -3.05 120.51 124.36 3i22 n ALA 107 Ca -0.02 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.25 3i22 n ALA 107 Cb 0.29 -1.15 0.30 0.00 0.00 0.00 0.00 19.45 18.89 3i22 n ALA 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i22 n LEU 108 N -1.83 0.76 0.00 0.00 0.00 0.03 -2.29 117.00 113.67 3i22 n LEU 108 Ca 0.04 0.41 -0.10 0.00 0.00 0.00 0.00 56.01 56.36 3i22 n LEU 108 Cb 0.39 -0.26 -0.14 0.00 0.00 0.00 0.00 43.42 43.42 3i22 n LEU 108 CO 0.36 -0.12 -0.41 0.58 0.00 0.00 0.00 177.39 177.80 3i22 h VAL 109 N 0.00 1.01 -0.26 1.96 2.07 -1.21 -3.22 116.25 116.60 3i22 h VAL 109 Ca 0.00 -2.81 0.02 0.00 0.82 0.00 0.00 66.70 64.72 3i22 h VAL 109 Cb 0.74 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 3i22 h VAL 109 CO 0.00 0.63 0.13 -0.08 0.02 0.00 0.00 177.57 178.27 3i22 h GLU 110 N 0.01 0.27 0.00 1.57 4.57 -1.43 0.20 114.58 119.78 3i22 h GLU 110 Ca -0.24 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3i22 h GLU 110 Cb 1.97 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.50 3i22 h GLU 110 CO 0.10 0.18 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.78 3i22 h LYS 111 N 0.28 0.00 0.17 1.92 1.63 -1.59 -2.75 116.57 116.23 3i22 h LYS 111 Ca 0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 3i22 h LYS 111 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3i22 h LYS 111 CO -0.07 0.10 -0.08 0.00 -3.45 0.00 0.00 179.45 175.94 3i22 h ALA 112 N 1.90 -0.23 0.00 5.00 0.00 -1.19 -3.24 119.26 121.49 3i22 h ALA 112 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i22 h ALA 112 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i22 h ALA 112 CO 0.01 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.63 3i22 n LYS 113 N -4.92 0.00 0.38 0.00 5.02 0.57 -2.43 118.16 116.78 3i22 n LYS 113 Ca -0.06 0.46 -0.15 0.00 -2.02 0.00 0.00 58.31 56.54 3i22 n LYS 113 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 3i22 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i22 h ALA 114 N 2.00 -1.08 -0.07 7.82 0.00 -1.51 -2.83 119.26 123.59 3i22 h ALA 114 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 3i22 h ALA 114 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i22 h ALA 114 CO 0.00 -1.01 -0.82 0.00 0.00 0.00 0.00 179.25 177.43 3i22 h ALA 115 N -1.39 0.44 -0.92 0.00 0.00 -1.65 -3.24 119.26 112.51 3i22 h ALA 115 Ca -0.10 -0.64 0.21 0.00 0.00 0.00 0.00 54.91 54.39 3i22 h ALA 115 Cb 0.75 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 3i22 h ALA 115 CO 0.16 0.75 0.45 1.25 0.00 0.00 0.00 179.25 181.87 3i22 h LEU 116 N 0.33 0.45 -0.82 0.00 5.85 -1.54 -3.50 115.31 116.07 3i22 h LEU 116 Ca -0.05 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3i22 h LEU 116 Cb 1.42 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3i22 h LEU 116 CO 0.15 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.31