#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 h LEU 3 N 0.00 0.01 0.00 6.15 8.10 -2.10 -3.43 115.31 124.05 3i22 h LEU 3 Ca 0.00 -0.58 0.00 0.00 0.11 0.00 0.00 57.88 57.41 3i22 h LEU 3 Cb 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 3i22 h LEU 3 CO 0.00 1.44 0.00 -3.20 -4.11 0.00 0.00 178.44 172.57 3i22 n ASN 4 N -4.43 0.00 -3.63 0.17 4.05 -1.26 -1.46 115.26 108.70 3i22 n ASN 4 Ca -0.29 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.31 3i22 n ASN 4 Cb 0.67 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.63 3i22 n ASN 4 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3i22 n THR 5 N 0.00 1.99 -3.50 -0.44 -2.24 -1.26 -4.79 114.28 104.04 3i22 n THR 5 Ca 0.00 -1.73 -0.17 0.00 -2.27 0.00 0.00 64.05 59.89 3i22 n THR 5 Cb 0.00 -2.35 -0.12 0.00 -2.10 0.00 0.00 70.33 65.76 3i22 n THR 5 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i22 s LEU 6 N 1.25 -0.19 0.30 3.22 0.20 -0.53 -5.15 118.68 117.77 3i22 s LEU 6 Ca 0.56 -0.05 0.05 0.00 0.69 0.00 0.00 54.13 55.38 3i22 s LEU 6 Cb 0.14 0.50 -0.06 0.00 -0.43 0.00 0.00 46.19 46.35 3i22 s LEU 6 CO 0.10 -0.31 0.00 -0.94 -0.29 0.00 0.00 176.35 174.91 3i22 s SER 7 N 2.36 2.49 0.77 3.68 1.04 -1.26 -5.15 113.70 117.63 3i22 s SER 7 Ca 0.07 -1.28 -0.10 0.00 0.48 0.00 0.00 55.95 55.11 3i22 s SER 7 Cb -0.15 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 65.93 3i22 s SER 7 CO -0.12 -0.49 1.12 -2.16 0.98 0.00 0.00 173.24 172.57 3i22 s PRO 8 N -3.82 2.08 1.05 4.02 0.04 -1.26 -5.05 135.00 132.07 3i22 s PRO 8 Ca 0.33 -0.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 3i22 s PRO 8 Cb 0.07 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.63 3i22 s PRO 8 CO 0.13 -1.44 0.02 0.00 0.04 0.00 0.00 177.00 175.74 3i22 n ALA 9 N -3.16 -3.79 -2.42 8.56 0.00 -1.26 -4.93 120.51 113.51 3i22 n ALA 9 Ca 0.08 -1.04 -0.39 0.00 0.00 0.00 0.00 53.44 52.09 3i22 n ALA 9 Cb 0.61 -1.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 3i22 n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i22 s GLU 10 N -3.36 4.36 -1.33 0.00 2.12 -1.26 -3.54 118.70 115.68 3i22 s GLU 10 Ca 0.54 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.70 3i22 s GLU 10 Cb -0.14 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3i22 s GLU 10 CO 0.67 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 176.19 3i22 n GLY 11 N 2.31 1.19 0.20 -1.50 0.00 -1.26 -4.77 105.19 101.36 3i22 n GLY 11 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i22 n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i22 h SER 12 N 0.00 0.00 -3.30 1.61 4.64 -1.93 -3.43 113.55 111.14 3i22 h SER 12 Ca -0.26 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.42 3i22 h SER 12 Cb 0.97 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.90 3i22 h SER 12 CO 0.38 0.00 -0.75 -0.54 -0.87 0.00 0.00 176.83 175.05 3i22 s LYS 13 N -3.24 1.99 -0.20 4.77 -0.14 -1.26 -5.04 119.74 116.63 3i22 s LYS 13 Ca 0.07 -1.20 0.23 0.00 -1.36 0.00 0.00 55.97 53.71 3i22 s LYS 13 Cb 0.07 -2.17 0.49 0.00 -1.68 0.00 0.00 37.83 34.54 3i22 s LYS 13 CO 0.64 0.46 1.13 1.63 -0.76 0.00 0.00 175.35 178.44 3i22 n LYS 14 N 0.37 1.38 0.00 1.68 4.76 -1.26 -5.10 118.16 119.99 3i22 n LYS 14 Ca -0.13 -3.18 0.00 0.00 -2.87 0.00 0.00 58.31 52.13 3i22 n LYS 14 Cb 0.54 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 3i22 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i22 n ALA 15 N -0.36 0.00 -3.57 7.82 0.00 -1.26 -4.79 120.51 118.35 3i22 n ALA 15 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 3i22 n ALA 15 Cb 0.88 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.17 3i22 n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i22 s GLY 16 N -3.36 0.55 -0.34 0.00 0.00 -1.26 -5.09 107.32 97.81 3i22 s GLY 16 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 44.72 44.16 3i22 s GLY 16 CO 0.00 0.33 1.89 0.58 0.00 0.00 0.00 173.10 175.90 3i22 n LYS 17 N 3.96 0.93 0.09 2.90 2.85 -1.26 -4.87 118.16 122.75 3i22 n LYS 17 Ca -0.25 0.32 -0.04 0.00 -1.05 0.00 0.00 58.31 57.29 3i22 n LYS 17 Cb 0.51 -2.08 -0.02 0.00 -0.65 0.00 0.00 35.03 32.80 3i22 n LYS 17 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i22 h ARG 18 N 8.47 -0.25 -2.83 -1.58 2.47 -1.99 -3.50 114.38 115.17 3i22 h ARG 18 Ca -0.38 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 3i22 h ARG 18 Cb 1.33 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 3i22 h ARG 18 CO 0.99 -0.17 -0.61 -0.11 0.56 0.00 0.00 179.97 180.63 3i22 n LEU 19 N -3.60 -4.76 -1.53 3.04 7.94 -1.26 -4.91 117.00 111.92 3i22 n LEU 19 Ca -0.03 2.09 -0.02 0.00 -1.11 0.00 0.00 56.01 56.94 3i22 n LEU 19 Cb 0.10 -1.95 0.01 0.00 0.53 0.00 0.00 43.42 42.12 3i22 n LEU 19 CO 0.08 -0.70 0.01 0.61 -1.11 0.00 0.00 177.39 176.28 3i22 n GLY 20 N 0.58 0.51 3.15 -3.96 0.00 -1.26 -4.93 105.19 99.29 3i22 n GLY 20 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.79 3i22 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i22 s ARG 21 N -3.64 0.18 0.00 1.61 1.70 -1.26 -4.71 118.95 112.83 3i22 s ARG 21 Ca 0.03 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 3i22 s ARG 21 Cb -0.00 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 3i22 s ARG 21 CO 0.09 -0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 3i22 n GLY 22 N 5.33 0.84 0.17 3.88 0.00 -1.26 -4.55 105.19 109.61 3i22 n GLY 22 Ca -0.00 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 3i22 n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i22 n ILE 23 N 1.05 1.39 0.27 -0.61 -0.00 -1.26 -3.64 119.36 116.56 3i22 n ILE 23 Ca 0.00 -0.42 0.17 0.00 -0.00 0.00 0.00 62.75 62.49 3i22 n ILE 23 Cb 0.00 -1.64 0.66 0.00 -0.00 0.00 0.00 39.64 38.65 3i22 n ILE 23 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3i22 h GLY 24 N 0.19 0.00 1.88 7.39 0.00 -2.01 -2.73 103.07 107.79 3i22 h GLY 24 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3i22 h GLY 24 CO -0.27 0.00 0.06 1.48 0.00 0.00 0.00 176.54 177.81 3i22 h SER 25 N 0.00 0.00 -0.02 0.19 4.64 -1.80 -3.46 113.55 113.11 3i22 h SER 25 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i22 h SER 25 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3i22 h SER 25 CO 0.00 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.56 3i22 n GLY 26 N -1.11 0.42 0.00 -0.77 0.00 -1.03 -4.79 105.19 97.90 3i22 n GLY 26 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3i22 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i22 n LEU 27 N -0.04 0.00 -4.37 0.99 4.77 -1.26 -4.99 117.00 112.10 3i22 n LEU 27 Ca -0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 3i22 n LEU 27 Cb 0.01 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 3i22 n LEU 27 CO 0.01 0.00 -0.22 0.61 -1.33 0.00 0.00 177.39 176.46 3i22 n GLY 28 N 0.00 -2.17 2.84 -0.72 0.00 -1.24 -3.88 105.19 100.03 3i22 n GLY 28 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 3i22 n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i22 n LYS 29 N -2.26 -2.95 -1.77 1.61 4.81 -1.26 -4.79 118.16 111.54 3i22 n LYS 29 Ca 0.04 2.37 0.00 0.00 -0.87 0.00 0.00 58.31 59.85 3i22 n LYS 29 Cb 0.58 -3.17 0.00 0.00 0.02 0.00 0.00 35.03 32.45 3i22 n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i22 n THR 30 N 1.93-10.12 -2.35 3.15 -2.24 -1.26 -4.72 114.28 98.67 3i22 n THR 30 Ca -0.20 2.33 -0.37 0.00 -2.27 0.00 0.00 64.05 63.53 3i22 n THR 30 Cb 0.34 -4.85 -0.02 0.00 -2.10 0.00 0.00 70.33 63.71 3i22 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 31 N 1.31 2.03 4.01 3.38 0.00 -1.26 -4.32 105.19 110.34 3i22 n GLY 31 Ca 0.00 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 3i22 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 32 N 5.51 -0.47 0.00 -0.02 0.00 -1.25 -4.86 105.19 104.10 3i22 n GLY 32 Ca 0.48 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.75 3i22 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 n ARG 33 N -4.53 1.13 0.00 1.61 1.74 -1.26 -5.13 116.66 110.22 3i22 n ARG 33 Ca -0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 3i22 n ARG 33 Cb 0.65 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 3i22 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i22 n GLY 34 N 2.24 -0.00 3.35 -0.13 0.00 -1.26 -4.85 105.19 104.54 3i22 n GLY 34 Ca 0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 3i22 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i22 s HIS 35 N 0.00 1.89 0.00 1.61 0.09 -1.26 -4.88 115.29 112.73 3i22 s HIS 35 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 55.06 54.60 3i22 s HIS 35 Cb 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 32.58 31.66 3i22 s HIS 35 CO 0.00 0.38 0.00 1.63 -0.00 0.00 0.00 174.74 176.75 3i22 n LYS 36 N 0.14 0.00 -0.33 1.40 5.02 -1.26 -4.96 118.16 118.17 3i22 n LYS 36 Ca -0.12 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 3i22 n LYS 36 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.57 3i22 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 37 N 0.00 -1.54 0.09 0.72 0.00 -1.26 -4.44 105.19 98.77 3i22 n GLY 37 Ca 0.00 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.64 3i22 n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i22 n GLN 38 N -1.95 0.62 -0.90 1.61 7.27 -1.26 -4.30 117.38 118.48 3i22 n GLN 38 Ca 0.00 0.12 -0.12 0.00 0.07 0.00 0.00 57.00 57.07 3i22 n GLN 38 Cb 0.15 -1.77 -0.04 0.00 2.41 0.00 0.00 30.24 30.99 3i22 n GLN 38 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3i22 n LYS 39 N -2.71 1.70 0.00 3.69 5.02 -1.26 -3.53 118.16 121.07 3i22 n LYS 39 Ca -0.06 -1.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 3i22 n LYS 39 Cb 0.69 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3i22 n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i22 n SER 40 N 1.34 0.00 0.00 4.39 3.41 -1.26 -4.91 113.62 116.59 3i22 n SER 40 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3i22 n SER 40 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3i22 n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i22 n ARG 41 N -0.62 0.00 -1.37 4.33 5.12 -1.26 -4.43 116.66 118.43 3i22 n ARG 41 Ca 0.00 0.00 -0.56 0.00 -1.93 0.00 0.00 57.85 55.36 3i22 n ARG 41 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 3i22 n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i22 n SER 42 N 0.10 1.47 -2.42 0.55 2.88 -1.26 -1.51 113.62 113.43 3i22 n SER 42 Ca 0.00 0.58 -0.05 0.00 -1.33 0.00 0.00 58.87 58.07 3i22 n SER 42 Cb 0.00 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.39 3i22 n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i22 n GLY 43 N 6.86 -1.21 2.99 0.46 0.00 -1.26 -5.07 105.19 107.95 3i22 n GLY 43 Ca 0.47 0.81 -0.14 0.00 0.00 0.00 0.00 46.02 47.16 3i22 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 44 N -2.07 -0.10 0.00 -0.02 0.00 -0.57 -5.06 107.32 99.50 3i22 s GLY 44 Ca 0.16 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3i22 s GLY 44 CO 0.53 1.83 0.00 0.61 0.00 0.00 0.00 173.10 176.07 3i22 n GLY 45 N 5.19 4.28 2.58 0.20 0.00 -1.23 -4.50 105.19 111.70 3i22 n GLY 45 Ca -0.09 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 3i22 n GLY 45 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i22 n VAL 46 N -1.36 0.00 -3.51 1.61 0.24 -1.26 -5.04 118.33 109.01 3i22 n VAL 46 Ca 0.00 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.34 61.87 3i22 n VAL 46 Cb 0.00 -1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 31.36 3i22 n VAL 46 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i22 s ARG 47 N -4.77 3.32 -0.56 7.34 1.04 -1.26 -5.00 118.95 119.06 3i22 s ARG 47 Ca 0.53 -0.64 -0.26 0.00 -1.04 0.00 0.00 55.73 54.32 3i22 s ARG 47 Cb -0.07 -2.75 -0.09 0.00 -2.04 0.00 0.00 34.95 30.00 3i22 s ARG 47 CO 0.42 0.14 2.43 2.89 -0.04 0.00 0.00 175.30 181.14 3i22 n ARG 48 N -1.69 0.91 0.00 3.89 1.85 -1.26 -2.18 116.66 118.18 3i22 n ARG 48 Ca -0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 3i22 n ARG 48 Cb 0.57 -3.43 0.00 0.00 -1.05 0.00 0.00 32.46 28.55 3i22 n ARG 48 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i22 n GLY 49 N 6.17 -0.00 3.87 2.89 0.00 -1.26 -5.13 105.19 111.72 3i22 n GLY 49 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 3i22 n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i22 s PHE 50 N -0.98 3.63 -0.17 1.61 5.99 -0.93 -4.80 117.98 122.33 3i22 s PHE 50 Ca 0.00 0.68 0.19 0.00 0.00 0.00 0.00 56.93 57.81 3i22 s PHE 50 Cb 0.00 -2.06 0.46 0.00 0.00 0.00 0.00 43.02 41.42 3i22 s PHE 50 CO 0.00 0.66 1.16 0.39 -0.00 0.00 0.00 175.22 177.43 3i22 n GLU 51 N 1.60 1.46 0.00 10.12 1.02 -1.26 -4.93 120.64 128.66 3i22 n GLU 51 Ca -0.15 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.89 3i22 n GLU 51 Cb 0.53 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 3i22 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i22 n GLY 52 N -0.34 0.66 0.00 0.62 0.00 -1.26 -3.90 105.19 100.97 3i22 n GLY 52 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i22 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 53 N -2.00 1.08 3.64 -0.02 0.00 -1.26 -5.08 105.19 101.55 3i22 n GLY 53 Ca 0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 46.02 45.30 3i22 n GLY 53 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i22 n GLN 54 N 0.00 1.28 -1.30 1.61 7.27 -1.25 -4.65 117.38 120.33 3i22 n GLN 54 Ca 0.00 0.46 -0.48 0.00 0.07 0.00 0.00 57.00 57.06 3i22 n GLN 54 Cb 0.00 -2.14 -0.13 0.00 2.41 0.00 0.00 30.24 30.38 3i22 n GLN 54 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3i22 n MET 55 N 3.80 0.00 -1.04 3.69 0.00 -1.26 -4.59 117.12 117.72 3i22 n MET 55 Ca 0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.56 3i22 n MET 55 Cb 0.18 -1.41 0.07 0.00 0.00 0.00 0.00 33.22 32.06 3i22 n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3i22 n PRO 56 N 7.53 -0.01 0.00 2.12 -0.02 -1.26 -4.23 135.00 139.14 3i22 n PRO 56 Ca 0.57 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3i22 n PRO 56 Cb -0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3i22 n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i22 h LEU 57 N -0.88 -0.98 -1.96 2.45 5.85 -1.87 0.46 115.31 118.39 3i22 h LEU 57 Ca -0.44 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.49 3i22 h LEU 57 Cb 1.33 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 3i22 h LEU 57 CO 0.33 -0.36 0.18 0.10 -0.34 0.00 0.00 178.44 178.36 3i22 h TYR 58 N -0.40 0.05 0.00 1.25 -0.00 -1.89 0.12 116.97 116.11 3i22 h TYR 58 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.69 3i22 h TYR 58 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 3i22 h TYR 58 CO -0.40 0.03 -0.69 0.00 -0.00 0.00 0.00 178.16 177.10 3i22 h ARG 59 N 0.05 0.00 -0.40 0.10 3.08 -1.25 -3.26 114.38 112.70 3i22 h ARG 59 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 3i22 h ARG 59 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3i22 h ARG 59 CO -0.01 0.63 -0.21 0.00 -1.07 0.00 0.00 179.97 179.31 3i22 h ARG 60 N 0.00 0.86 -6.27 0.04 3.08 0.23 -3.45 114.38 108.88 3i22 h ARG 60 Ca -0.02 -0.38 -0.57 0.00 0.07 0.00 0.00 59.98 59.08 3i22 h ARG 60 Cb 1.51 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 3i22 h ARG 60 CO 0.08 1.02 -0.08 -0.51 -1.07 0.00 0.00 179.97 179.41 3i22 s LEU 61 N -9.09 4.41 0.00 3.04 1.02 -0.31 -5.09 118.68 112.66 3i22 s LEU 61 Ca -0.12 1.12 0.00 0.00 0.02 0.00 0.00 54.13 55.15 3i22 s LEU 61 Cb 0.11 -3.09 0.00 0.00 0.02 0.00 0.00 46.19 43.22 3i22 s LEU 61 CO 0.85 0.17 0.00 -0.81 0.02 0.00 0.00 176.35 176.58 3i22 n PRO 62 N 1.16 -0.39 -3.81 1.29 -0.04 -1.26 -4.82 135.00 127.13 3i22 n PRO 62 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 3i22 n PRO 62 Cb 0.52 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.81 3i22 n PRO 62 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i22 s LYS 63 N -2.96 0.96 -0.05 0.54 -2.85 -1.26 -4.97 119.74 109.15 3i22 s LYS 63 Ca 0.00 -0.34 0.01 0.00 -1.00 0.00 0.00 55.97 54.63 3i22 s LYS 63 Cb 0.00 -1.81 0.07 0.00 -2.06 0.00 0.00 37.83 34.03 3i22 s LYS 63 CO 0.00 -0.48 1.07 1.97 0.10 0.00 0.00 175.35 178.01 3i22 n PHE 64 N 5.00 0.33 -1.33 1.78 1.16 -1.26 -4.97 117.46 118.17 3i22 n PHE 64 Ca -0.10 -0.61 -0.39 0.00 -1.87 0.00 0.00 57.45 54.48 3i22 n PHE 64 Cb 0.48 -0.31 0.02 0.00 -1.61 0.00 0.00 39.48 38.05 3i22 n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i22 n GLY 65 N 0.30 -2.54 0.00 4.97 0.00 -1.26 -5.00 105.19 101.66 3i22 n GLY 65 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i22 n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i22 n PHE 66 N -1.43 0.00 -4.00 1.61 7.35 -1.26 -5.18 117.46 114.54 3i22 n PHE 66 Ca 0.10 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.69 3i22 n PHE 66 Cb 0.46 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.17 3i22 n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3i22 s THR 67 N -2.00 0.22 0.04 -2.13 -4.23 -1.26 -5.08 115.64 101.20 3i22 s THR 67 Ca 0.00 -0.95 -0.29 0.00 -1.18 0.00 0.00 61.69 59.27 3i22 s THR 67 Cb 0.00 -0.35 -0.16 0.00 1.34 0.00 0.00 72.50 73.33 3i22 s THR 67 CO 0.00 -0.46 1.35 0.28 -0.54 0.00 0.00 174.62 175.25 3i22 h SER 68 N 4.62 -0.89 -0.40 3.99 0.02 -2.02 -3.47 113.55 115.40 3i22 h SER 68 Ca -0.33 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 3i22 h SER 68 Cb 1.21 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.91 3i22 h SER 68 CO 0.41 -0.60 -0.16 0.54 -1.14 0.00 0.00 176.83 175.88 3i22 n ARG 69 N -5.02 -1.13 -1.09 3.45 5.12 -1.26 -4.75 116.66 111.99 3i22 n ARG 69 Ca -0.13 0.73 -0.02 0.00 -1.93 0.00 0.00 57.85 56.50 3i22 n ARG 69 Cb 0.41 -4.79 -0.03 0.00 -1.16 0.00 0.00 32.46 26.89 3i22 n ARG 69 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3i22 n LYS 70 N -1.68 0.00 0.00 5.56 4.81 -1.26 -4.87 118.16 120.72 3i22 n LYS 70 Ca -0.08 -1.23 0.00 0.00 -0.87 0.00 0.00 58.31 56.12 3i22 n LYS 70 Cb 0.41 0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.70 3i22 n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i22 n ALA 71 N 0.16 0.38 0.36 3.14 0.00 -1.26 -4.31 120.51 118.98 3i22 n ALA 71 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3i22 n ALA 71 Cb 0.83 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.80 3i22 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 72 N 0.00 1.00 0.00 0.00 0.00 -1.97 -2.96 119.26 115.34 3i22 h ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i22 h ALA 72 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i22 h ALA 72 CO 0.00 0.00 -0.66 0.44 0.00 0.00 0.00 179.25 179.03 3i22 n ILE 73 N -2.30 0.00 -3.09 0.00 -5.35 -1.26 -4.79 119.36 102.56 3i22 n ILE 73 Ca 0.02 -0.24 -0.41 0.00 -0.27 0.00 0.00 62.75 61.85 3i22 n ILE 73 Cb 0.21 0.70 -0.06 0.00 -1.74 0.00 0.00 39.64 38.75 3i22 n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3i22 s THR 74 N -1.75 4.91 0.40 7.28 2.01 -1.12 -0.73 115.64 126.64 3i22 s THR 74 Ca -0.00 0.81 0.06 0.00 0.31 0.00 0.00 61.69 62.88 3i22 s THR 74 Cb 0.02 -4.04 0.06 0.00 0.01 0.00 0.00 72.50 68.55 3i22 s THR 74 CO 0.11 -0.21 0.53 0.00 -0.69 0.00 0.00 174.62 174.37 3i22 n ALA 75 N 5.97 0.83 -3.68 7.40 0.00 -0.47 -4.77 120.51 125.79 3i22 n ALA 75 Ca -0.01 -1.46 -0.22 0.00 0.00 0.00 0.00 53.44 51.76 3i22 n ALA 75 Cb 0.49 0.42 -0.18 0.00 0.00 0.00 0.00 19.45 20.18 3i22 n ALA 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i22 s GLU 76 N -3.80 0.08 0.51 0.00 -1.05 -1.26 -2.59 118.70 110.60 3i22 s GLU 76 Ca 0.40 0.25 -0.09 0.00 -0.15 0.00 0.00 54.97 55.38 3i22 s GLU 76 Cb -0.03 -0.81 -0.05 0.00 -0.44 0.00 0.00 34.13 32.81 3i22 s GLU 76 CO 0.26 -0.38 0.88 0.42 0.95 0.00 0.00 175.26 177.39 3i22 s ILE 77 N 2.12 4.79 0.20 1.83 1.01 -1.12 -4.91 121.20 125.12 3i22 s ILE 77 Ca 0.04 0.60 0.09 0.00 0.00 0.00 0.00 60.65 61.38 3i22 s ILE 77 Cb -0.13 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3i22 s ILE 77 CO -0.04 -0.86 -0.18 -0.13 0.00 0.00 0.00 174.94 173.72 3i22 s ARG 78 N -4.63 1.39 0.00 2.79 0.52 -1.23 -3.90 118.95 113.89 3i22 s ARG 78 Ca 0.52 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 3i22 s ARG 78 Cb -0.10 -1.41 0.00 0.00 0.52 0.00 0.00 34.95 33.95 3i22 s ARG 78 CO 0.44 0.27 0.50 -0.11 0.02 0.00 0.00 175.30 176.42 3i22 n LEU 79 N -0.07 0.28 -1.20 2.53 0.00 -1.26 -0.92 117.00 116.36 3i22 n LEU 79 Ca -0.10 -0.14 0.08 0.00 0.00 0.00 0.00 56.01 55.86 3i22 n LEU 79 Cb 0.58 -0.14 0.29 0.00 0.00 0.00 0.00 43.42 44.15 3i22 n LEU 79 CO 0.32 0.07 0.75 -1.54 0.00 0.00 0.00 177.39 176.99 3i22 n SER 80 N -0.21 4.08 0.00 1.96 3.41 -1.26 -2.19 113.62 119.41 3i22 n SER 80 Ca 0.00 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3i22 n SER 80 Cb 0.07 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3i22 n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i22 n ASP 81 N 0.72 0.00 0.00 4.04 8.00 -0.09 -4.73 116.55 124.49 3i22 n ASP 81 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3i22 n ASP 81 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 3i22 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i22 n LEU 82 N 0.00 0.00 -0.27 0.64 4.32 -1.26 0.75 117.00 121.18 3i22 n LEU 82 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 3i22 n LEU 82 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 3i22 n LEU 82 CO 0.00 0.00 0.62 0.00 -1.22 0.00 0.00 177.39 176.79 3i22 h ALA 83 N 0.00 0.09 -1.82 -1.18 0.00 -1.76 -3.36 119.26 111.23 3i22 h ALA 83 Ca 0.00 0.22 -0.56 0.00 0.00 0.00 0.00 54.91 54.57 3i22 h ALA 83 Cb 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3i22 h ALA 83 CO 0.00 -0.63 1.34 0.21 0.00 0.00 0.00 179.25 180.18 3i22 s LYS 84 N -6.01 3.12 0.00 0.00 2.20 0.23 -4.45 119.74 114.83 3i22 s LYS 84 Ca -0.14 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 3i22 s LYS 84 Cb 0.18 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 3i22 s LYS 84 CO 0.71 -2.11 0.00 1.55 -0.36 0.00 0.00 175.35 175.14 3i22 n VAL 85 N 7.48 0.00 0.00 4.02 3.14 -1.26 -4.86 118.33 126.85 3i22 n VAL 85 Ca 0.25 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 3i22 n VAL 85 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 3i22 n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i22 n GLU 86 N 0.00 0.00 0.00 1.45 -0.58 -1.26 -4.47 120.64 115.78 3i22 n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i22 n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i22 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i22 n GLY 87 N 0.00 -1.46 3.52 0.62 0.00 -1.26 -5.10 105.19 101.51 3i22 n GLY 87 Ca 0.00 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 3i22 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 88 N 0.00 -0.12 1.49 -0.02 0.00 -1.26 -4.65 105.19 100.62 3i22 n GLY 88 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.93 3i22 n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i22 n VAL 89 N 7.72 -2.67 -2.64 1.61 3.14 -1.26 -4.70 118.33 119.53 3i22 n VAL 89 Ca 0.51 1.30 -0.41 0.00 -2.96 0.00 0.00 64.34 62.78 3i22 n VAL 89 Cb 0.29 -2.05 0.01 0.00 -1.06 0.00 0.00 33.84 31.03 3i22 n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3i22 n VAL 90 N -2.17 5.83 -0.83 1.55 0.31 -0.75 -4.98 118.33 117.28 3i22 n VAL 90 Ca 0.00 -5.76 -0.34 0.00 -0.01 0.00 0.00 64.34 58.23 3i22 n VAL 90 Cb 0.30 -1.74 0.11 0.00 -0.91 0.00 0.00 33.84 31.60 3i22 n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i22 n ASP 91 N 0.52 -3.08 -0.10 4.52 -0.08 -1.26 -2.12 116.55 114.96 3i22 n ASP 91 Ca 0.44 0.14 -0.03 0.00 -1.51 0.00 0.00 54.79 53.84 3i22 n ASP 91 Cb 0.28 -0.97 -0.02 0.00 2.34 0.00 0.00 41.12 42.74 3i22 n ASP 91 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3i22 n LEU 92 N 0.11 -0.25 0.00 -2.67 4.77 -0.91 -4.43 117.00 113.61 3i22 n LEU 92 Ca 0.02 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 3i22 n LEU 92 Cb 0.59 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i22 n LEU 92 CO 0.51 -0.72 0.00 -0.46 -1.33 0.00 0.00 177.39 175.39 3i22 n ASN 93 N -3.52 0.00 0.00 -1.43 6.94 -1.26 -4.74 115.26 111.25 3i22 n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i22 n ASN 93 Cb 0.06 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3i22 n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3i22 n THR 94 N 0.00 0.00 -0.34 5.53 -1.04 -1.26 -4.22 114.28 112.96 3i22 n THR 94 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3i22 n THR 94 Cb 0.00 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 68.93 3i22 n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i22 h LEU 95 N 0.00 0.55 0.45 -4.42 3.38 -1.82 2.05 115.31 115.51 3i22 h LEU 95 Ca 0.00 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3i22 h LEU 95 Cb 0.00 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i22 h LEU 95 CO 0.00 -0.02 -0.28 0.11 0.09 0.00 0.00 178.44 178.34 3i22 h LYS 96 N 0.44 -0.66 0.00 1.13 1.57 -1.62 -0.29 116.57 117.14 3i22 h LYS 96 Ca 0.68 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 3i22 h LYS 96 Cb 1.42 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.88 3i22 h LYS 96 CO -0.55 -0.44 0.00 0.00 -0.57 0.00 0.00 179.45 177.89 3i22 n ALA 97 N -2.46 1.19 -2.70 3.86 0.00 -0.28 -1.93 120.51 118.20 3i22 n ALA 97 Ca -0.08 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3i22 n ALA 97 Cb 0.29 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3i22 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 98 N -1.37 5.26 -2.28 0.00 0.00 0.68 -4.98 120.51 117.82 3i22 n ALA 98 Ca 0.01 -4.57 -0.03 0.00 0.00 0.00 0.00 53.44 48.85 3i22 n ALA 98 Cb 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3i22 n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i22 n ASN 99 N -0.27 -0.47 0.00 0.00 0.23 -0.81 -4.73 115.26 109.21 3i22 n ASN 99 Ca 0.38 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 3i22 n ASN 99 Cb 0.39 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3i22 n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i22 n ILE 100 N -0.53 0.00 0.00 1.53 0.13 -0.40 -4.99 119.36 115.10 3i22 n ILE 100 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 3i22 n ILE 100 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.87 3i22 n ILE 100 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3i22 n ILE 101 N -0.22 0.00 0.00 9.51 2.08 -1.26 -2.23 119.36 127.23 3i22 n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i22 n ILE 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i22 n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i22 n GLY 102 N 0.00 3.19 0.38 7.39 0.00 -1.26 -4.77 105.19 110.12 3i22 n GLY 102 Ca 0.00 -1.27 0.18 0.00 0.00 0.00 0.00 46.02 44.93 3i22 n GLY 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i22 h ILE 103 N 0.00 0.20 -0.77 -0.61 -0.00 -1.92 -0.35 117.51 114.06 3i22 h ILE 103 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.82 3i22 h ILE 103 Cb 0.00 0.57 -0.03 0.00 -0.00 0.00 0.00 36.82 37.36 3i22 h ILE 103 CO 0.00 0.00 0.31 1.56 -0.00 0.00 0.00 178.15 180.02 3i22 h GLN 104 N 0.00 1.15 -6.73 0.16 1.08 -1.94 -3.45 115.11 105.38 3i22 h GLN 104 Ca 0.15 -0.21 -0.55 0.00 -1.45 0.00 0.00 58.65 56.58 3i22 h GLN 104 Cb 1.14 -0.19 0.19 0.00 -0.05 0.00 0.00 27.48 28.57 3i22 h GLN 104 CO -0.00 0.93 -0.36 -0.89 -0.95 0.00 0.00 178.83 177.56 3i22 n ILE 105 N -4.31 1.50 -0.08 2.54 2.08 -0.14 -4.81 119.36 116.15 3i22 n ILE 105 Ca 0.07 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3i22 n ILE 105 Cb 0.18 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.31 3i22 n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i22 n GLU 106 N -1.12 0.96 -4.08 0.38 1.02 0.09 -5.00 120.64 112.88 3i22 n GLU 106 Ca 0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 3i22 n GLU 106 Cb 0.51 -0.08 -0.12 0.00 -0.02 0.00 0.00 31.44 31.72 3i22 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i22 s PHE 107 N 0.00 0.60 -0.05 -0.32 0.08 -1.21 -5.03 117.98 112.05 3i22 s PHE 107 Ca 0.00 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 3i22 s PHE 107 Cb 0.00 -0.37 0.04 0.00 -0.57 0.00 0.00 43.02 42.12 3i22 s PHE 107 CO 0.00 -0.07 0.10 0.00 -0.10 0.00 0.00 175.22 175.15 3i22 s ALA 108 N -1.05 -0.07 0.73 5.36 0.00 -1.26 -1.37 121.76 124.10 3i22 s ALA 108 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3i22 s ALA 108 Cb -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3i22 s ALA 108 CO 0.00 -0.26 0.00 1.63 0.00 0.00 0.00 175.76 177.13 3i22 n LYS 109 N 4.54 0.65 0.00 0.00 4.76 -1.07 -1.29 118.16 125.76 3i22 n LYS 109 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 3i22 n LYS 109 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3i22 n LYS 109 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i22 n VAL 110 N -1.20 0.00 -0.21 -0.18 0.31 -0.85 -2.77 118.33 113.43 3i22 n VAL 110 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i22 n VAL 110 Cb 0.00 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3i22 n VAL 110 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i22 n ILE 111 N -2.08 0.00 -3.68 2.52 -0.00 -1.25 -3.54 119.36 111.33 3i22 n ILE 111 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 3i22 n ILE 111 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 39.64 39.46 3i22 n ILE 111 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 3i22 s LEU 112 N 0.00 0.22 -0.12 7.28 2.34 -1.26 -4.25 118.68 122.88 3i22 s LEU 112 Ca 0.00 0.03 -0.06 0.00 0.06 0.00 0.00 54.13 54.16 3i22 s LEU 112 Cb 0.00 -0.19 -0.05 0.00 -0.56 0.00 0.00 46.19 45.39 3i22 s LEU 112 CO 0.00 -0.25 -0.16 0.00 -1.06 0.00 0.00 176.35 174.89 3i22 n ALA 113 N 5.27 2.20 0.00 1.48 0.00 -1.26 -4.79 120.51 123.41 3i22 n ALA 113 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3i22 n ALA 113 Cb 0.50 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.29 3i22 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 114 N 2.26 -1.75 2.31 0.00 0.00 -1.25 -4.92 105.19 101.84 3i22 n GLY 114 Ca -0.24 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 3i22 n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i22 n GLU 115 N 0.00 0.00 0.05 1.61 4.71 -0.93 -4.84 120.64 121.24 3i22 n GLU 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i22 n GLU 115 Cb 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 3i22 n GLU 115 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3i22 n VAL 116 N -0.87 0.85 -1.65 2.62 3.14 -1.26 -4.57 118.33 116.59 3i22 n VAL 116 Ca 0.07 0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 3i22 n VAL 116 Cb 0.30 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 3i22 n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3i22 n THR 117 N -3.37 0.00 -1.68 1.55 -1.04 -1.26 -4.30 114.28 104.18 3i22 n THR 117 Ca 0.00 0.00 -0.48 0.00 -2.04 0.00 0.00 64.05 61.53 3i22 n THR 117 Cb 0.11 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.57 3i22 n THR 117 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3i22 n THR 118 N 0.00 0.41 -0.44 12.58 5.66 -1.26 -4.80 114.28 126.43 3i22 n THR 118 Ca 0.00 -0.07 -0.05 0.00 -3.05 0.00 0.00 64.05 60.88 3i22 n THR 118 Cb 0.00 -1.74 -0.07 0.00 -1.55 0.00 0.00 70.33 66.97 3i22 n THR 118 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i22 n PRO 119 N 5.65 0.88 -0.93 1.09 -0.02 -1.26 -4.38 135.00 136.03 3i22 n PRO 119 Ca 0.21 -0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 60.95 3i22 n PRO 119 Cb 0.28 -1.71 0.14 0.00 -0.02 0.00 0.00 33.50 32.20 3i22 n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i22 s VAL 120 N 2.07 2.33 -0.18 -1.45 1.01 -1.26 -4.42 120.40 118.50 3i22 s VAL 120 Ca 0.29 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 3i22 s VAL 120 Cb 0.14 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3i22 s VAL 120 CO 0.00 -0.13 0.14 0.28 0.00 0.00 0.00 175.10 175.39 3i22 s THR 121 N -2.58 5.42 -0.52 3.92 -1.32 -1.26 -4.21 115.64 115.09 3i22 s THR 121 Ca 0.67 0.21 -0.27 0.00 -1.21 0.00 0.00 61.69 61.09 3i22 s THR 121 Cb -0.23 -3.47 0.03 0.00 -1.51 0.00 0.00 72.50 67.33 3i22 s THR 121 CO 0.55 0.47 1.06 0.68 -2.21 0.00 0.00 174.62 175.17 3i22 s VAL 122 N 0.13 4.25 -0.13 5.08 -7.23 -1.08 -1.81 120.40 119.62 3i22 s VAL 122 Ca 0.10 0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.05 3i22 s VAL 122 Cb -0.11 -4.58 -0.04 0.00 0.56 0.00 0.00 36.38 32.21 3i22 s VAL 122 CO -0.01 -1.08 0.05 -0.13 -0.31 0.00 0.00 175.10 173.62 3i22 s ARG 123 N 4.32 3.45 -0.36 4.82 0.52 -0.90 -2.92 118.95 127.88 3i22 s ARG 123 Ca 0.40 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3i22 s ARG 123 Cb -0.09 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.36 3i22 s ARG 123 CO 0.26 0.56 0.00 0.41 0.02 0.00 0.00 175.30 176.55 3i22 n GLY 124 N 2.63 0.54 3.76 -3.53 0.00 -1.26 -2.15 105.19 105.18 3i22 n GLY 124 Ca -0.18 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 3i22 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i22 n LEU 125 N -0.39 0.00 -3.93 0.99 4.77 -1.26 -4.80 117.00 112.39 3i22 n LEU 125 Ca -0.03 -2.81 -0.30 0.00 -0.03 0.00 0.00 56.01 52.83 3i22 n LEU 125 Cb 0.30 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.18 3i22 n LEU 125 CO 0.05 -0.59 -0.40 -0.13 -1.33 0.00 0.00 177.39 174.99 3i22 s ARG 126 N -4.25 1.49 -0.17 3.23 0.52 -0.41 -5.03 118.95 114.34 3i22 s ARG 126 Ca 0.32 -1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 3i22 s ARG 126 Cb -0.03 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 3i22 s ARG 126 CO 0.20 -0.70 0.05 0.54 0.02 0.00 0.00 175.30 175.41 3i22 s VAL 127 N 1.34 4.67 0.84 3.52 0.11 -1.26 -2.00 120.40 127.62 3i22 s VAL 127 Ca -0.01 -0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.80 3i22 s VAL 127 Cb -0.19 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.54 3i22 s VAL 127 CO -0.09 0.49 0.19 0.41 -3.33 0.00 0.00 175.10 172.77 3i22 n THR 128 N 3.30 0.69 0.21 5.04 -1.04 -1.26 -4.56 114.28 116.66 3i22 n THR 128 Ca -0.17 -0.35 0.05 0.00 -2.04 0.00 0.00 64.05 61.54 3i22 n THR 128 Cb 0.53 -0.51 0.46 0.00 -1.82 0.00 0.00 70.33 68.99 3i22 n THR 128 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3i22 h LYS 129 N -0.88 0.00 0.06 -2.82 2.10 -1.98 0.44 116.57 113.48 3i22 h LYS 129 Ca -0.44 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.90 3i22 h LYS 129 Cb 1.32 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.62 3i22 h LYS 129 CO 0.36 0.27 -1.74 0.78 -2.00 0.00 0.00 179.45 177.12 3i22 h GLY 130 N 0.93 0.14 2.00 0.07 0.00 -1.97 -3.20 103.07 101.04 3i22 h GLY 130 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3i22 h GLY 130 CO 0.03 0.31 -0.27 0.00 0.00 0.00 0.00 176.54 176.61 3i22 h ALA 131 N 0.64 0.90 0.15 3.60 0.00 -1.76 -3.05 119.26 119.76 3i22 h ALA 131 Ca -0.31 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.05 3i22 h ALA 131 Cb 2.01 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.78 3i22 h ALA 131 CO 0.10 0.34 -1.30 -0.09 0.00 0.00 0.00 179.25 178.30 3i22 h ARG 132 N 0.00 0.53 -0.33 0.00 2.43 -0.26 -3.03 114.38 113.72 3i22 h ARG 132 Ca -0.00 -0.78 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 3i22 h ARG 132 Cb 0.99 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3i22 h ARG 132 CO 0.04 1.36 0.00 0.00 -1.51 0.00 0.00 179.97 179.85 3i22 n ALA 133 N -2.66 2.44 0.00 2.80 0.00 -1.18 -0.88 120.51 121.03 3i22 n ALA 133 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i22 n ALA 133 Cb 1.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3i22 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 134 N -0.32 1.58 -0.11 0.00 0.00 -1.16 -4.19 120.51 116.32 3i22 n ALA 134 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3i22 n ALA 134 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 3i22 n ALA 134 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i22 n ILE 135 N -0.86 1.23 0.10 0.00 3.06 -1.01 -4.00 119.36 117.88 3i22 n ILE 135 Ca 0.00 -0.38 -0.04 0.00 -2.50 0.00 0.00 62.75 59.84 3i22 n ILE 135 Cb 0.00 -1.59 0.02 0.00 0.54 0.00 0.00 39.64 38.62 3i22 n ILE 135 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3i22 h GLU 136 N -0.49 0.00 0.30 9.51 4.81 -1.21 -1.84 114.58 125.66 3i22 h GLU 136 Ca -0.54 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3i22 h GLU 136 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3i22 h GLU 136 CO -0.24 0.80 -0.15 0.00 -0.73 0.00 0.00 179.01 178.69 3i22 h ALA 137 N 1.20 -0.41 0.00 2.92 0.00 -1.73 -3.14 119.26 118.10 3i22 h ALA 137 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3i22 h ALA 137 Cb 1.44 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i22 h ALA 137 CO 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.88 3i22 n ALA 138 N -2.58 2.49 -0.95 0.00 0.00 -1.25 -4.79 120.51 113.42 3i22 n ALA 138 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i22 n ALA 138 Cb 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3i22 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 139 N 0.60 -1.79 3.60 0.00 0.00 -1.19 -4.93 105.19 101.48 3i22 n GLY 139 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.49 3i22 n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 140 N 0.00 -0.34 0.10 -0.02 0.00 -0.70 -4.35 107.32 102.01 3i22 s GLY 140 Ca 0.00 1.47 0.06 0.00 0.00 0.00 0.00 44.72 46.25 3i22 s GLY 140 CO 0.00 0.42 -0.16 1.25 0.00 0.00 0.00 173.10 174.61 3i22 s LYS 141 N -2.02 0.98 -0.04 2.90 2.36 -1.26 -4.38 119.74 118.28 3i22 s LYS 141 Ca 0.13 -1.12 0.06 0.00 -2.55 0.00 0.00 55.97 52.49 3i22 s LYS 141 Cb 0.03 -1.01 -0.01 0.00 -1.05 0.00 0.00 37.83 35.79 3i22 s LYS 141 CO -0.04 0.22 -0.24 0.42 1.55 0.00 0.00 175.35 177.26 3i22 s ILE 142 N -1.58 1.91 -2.00 5.43 1.09 -1.26 -2.63 121.20 122.16 3i22 s ILE 142 Ca 0.05 -1.00 0.12 0.00 -1.10 0.00 0.00 60.65 58.71 3i22 s ILE 142 Cb -0.08 -1.61 0.34 0.00 -1.06 0.00 0.00 42.46 40.05 3i22 s ILE 142 CO 0.03 0.54 1.18 -1.84 -0.10 0.00 0.00 174.94 174.74 3i22 n GLU 143 N 2.85 0.58 0.00 2.79 0.00 -1.15 -5.01 120.64 120.70 3i22 n GLU 143 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.04 3i22 n GLU 143 Cb 0.52 -1.33 0.31 0.00 0.00 0.00 0.00 31.44 30.95 3i22 n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22