#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s ARG 2 N 0.00 3.09 0.05 0.03 3.00 -1.26 -4.94 118.95 118.92 1vs6 s ARG 2 Ca 0.00 -0.86 -0.31 0.00 -1.00 0.00 0.00 55.73 53.57 1vs6 s ARG 2 Cb 0.00 -5.24 -0.06 0.00 0.00 0.00 0.00 34.95 29.65 1vs6 s ARG 2 CO 0.00 -2.87 1.21 -0.51 0.00 0.00 0.00 175.30 173.14 1vs6 s LEU 3 N 7.61 4.36 -0.59 -0.88 1.43 -1.26 -4.96 118.68 124.39 1vs6 s LEU 3 Ca 0.59 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.72 1vs6 s LEU 3 Cb -0.02 -3.58 0.43 0.00 0.03 0.00 0.00 46.19 43.05 1vs6 s LEU 3 CO -0.02 -0.50 1.73 0.59 0.23 0.00 0.00 176.35 178.38 1vs6 n ASN 4 N 4.07 6.68 -0.55 2.29 4.13 -1.26 -4.48 115.26 126.13 1vs6 n ASN 4 Ca 0.09 -3.78 0.07 0.00 1.68 0.00 0.00 54.58 52.64 1vs6 n ASN 4 Cb 0.46 -0.79 0.25 0.00 -1.54 0.00 0.00 39.78 38.16 1vs6 n ASN 4 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1vs6 n THR 5 N -0.74 0.33 -1.54 3.41 5.66 -1.26 -4.93 114.28 115.20 1vs6 n THR 5 Ca 0.54 -0.38 -0.07 0.00 -3.05 0.00 0.00 64.05 61.09 1vs6 n THR 5 Cb 0.65 0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.66 1vs6 n THR 5 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1vs6 n LEU 6 N 0.35 -0.81 -3.60 1.09 7.99 -1.26 -5.05 117.00 115.70 1vs6 n LEU 6 Ca 0.13 0.11 -0.09 0.00 -0.01 0.00 0.00 56.01 56.15 1vs6 n LEU 6 Cb 0.28 -1.32 -0.10 0.00 -0.11 0.00 0.00 43.42 42.18 1vs6 n LEU 6 CO 0.10 -0.27 -0.00 -0.44 -1.51 0.00 0.00 177.39 175.26 1vs6 s SER 7 N -2.84 -0.12 0.38 -1.43 0.01 -1.26 -5.14 113.70 103.30 1vs6 s SER 7 Ca 0.00 0.82 -0.27 0.00 1.31 0.00 0.00 55.95 57.82 1vs6 s SER 7 Cb 0.00 1.25 -0.09 0.00 0.21 0.00 0.00 66.02 67.39 1vs6 s SER 7 CO 0.00 -0.24 1.24 -2.16 0.41 0.00 0.00 173.24 172.49 1vs6 s PRO 8 N 2.58 4.14 -0.42 12.44 0.04 -1.26 -4.98 135.00 147.55 1vs6 s PRO 8 Ca 0.01 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.18 1vs6 s PRO 8 Cb -0.13 -2.83 0.32 0.00 0.04 0.00 0.00 34.50 31.90 1vs6 s PRO 8 CO -0.13 -0.31 0.87 0.00 0.04 0.00 0.00 177.00 177.47 1vs6 n ALA 9 N 0.34 0.70 -1.78 8.56 0.00 -1.26 -5.06 120.51 122.02 1vs6 n ALA 9 Ca 0.03 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.96 1vs6 n ALA 9 Cb 0.44 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1vs6 n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs6 n GLU 10 N 0.56 0.00 0.00 0.00 1.02 -1.26 -5.11 120.64 115.85 1vs6 n GLU 10 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1vs6 n GLU 10 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1vs6 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vs6 n GLY 11 N 4.13 -1.50 0.00 0.62 0.00 -1.26 -5.13 105.19 102.05 1vs6 n GLY 11 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1vs6 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vs6 n SER 12 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.12 113.62 112.26 1vs6 n SER 12 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1vs6 n SER 12 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vs6 n SER 12 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1vs6 n LYS 13 N -0.56 0.00 0.00 4.33 2.85 -1.26 -5.00 118.16 118.52 1vs6 n LYS 13 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 13 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs6 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1vs6 n LYS 14 N -1.84 0.00 0.00 -1.58 4.76 -1.26 -4.64 118.16 113.60 1vs6 n LYS 14 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1vs6 n LYS 14 Cb 0.00 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 1vs6 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs6 n ALA 15 N 0.00 0.00 0.00 7.82 0.00 -1.26 -5.14 120.51 121.93 1vs6 n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs6 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 16 N 0.00 -1.43 1.12 0.00 0.00 -1.26 -5.15 105.19 98.47 1vs6 n GLY 16 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1vs6 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 17 N 0.00 0.00 -3.91 1.61 4.76 -1.26 -4.90 118.16 114.46 1vs6 n LYS 17 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1vs6 n LYS 17 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1vs6 n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1vs6 s ARG 18 N 0.00 2.14 -0.27 1.97 3.03 -1.26 -5.14 118.95 119.41 1vs6 s ARG 18 Ca 0.00 -1.57 0.02 0.00 2.03 0.00 0.00 55.73 56.21 1vs6 s ARG 18 Cb 0.00 0.56 0.07 0.00 -1.03 0.00 0.00 34.95 34.56 1vs6 s ARG 18 CO 0.00 -0.96 -0.02 -0.51 -1.13 0.00 0.00 175.30 172.67 1vs6 s LEU 19 N -3.13 3.11 0.00 -1.89 2.01 -1.26 -5.10 118.68 112.42 1vs6 s LEU 19 Ca 0.21 -1.46 0.00 0.00 0.01 0.00 0.00 54.13 52.89 1vs6 s LEU 19 Cb -0.03 -1.29 0.00 0.00 0.01 0.00 0.00 46.19 44.87 1vs6 s LEU 19 CO 0.15 -0.28 0.00 0.61 1.01 0.00 0.00 176.35 177.84 1vs6 n GLY 20 N 4.57 -0.96 3.46 -3.19 0.00 -1.26 -5.01 105.19 102.80 1vs6 n GLY 20 Ca -0.08 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1vs6 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vs6 s ARG 21 N 0.00 1.62 -0.32 1.61 1.70 -1.26 -5.05 118.95 117.26 1vs6 s ARG 21 Ca 0.00 -1.55 -0.06 0.00 -0.47 0.00 0.00 55.73 53.65 1vs6 s ARG 21 Cb 0.00 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1vs6 s ARG 21 CO 0.00 -0.65 0.19 0.41 -1.08 0.00 0.00 175.30 174.17 1vs6 n GLY 22 N -0.44 -2.92 2.85 3.88 0.00 -1.26 -5.01 105.19 102.29 1vs6 n GLY 22 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 1vs6 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vs6 s ILE 23 N -1.83 1.47 0.00 -0.61 1.01 -1.26 -4.99 121.20 114.98 1vs6 s ILE 23 Ca 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1vs6 s ILE 23 Cb -0.02 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1vs6 s ILE 23 CO 0.71 -0.66 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1vs6 n GLY 24 N 4.54 -0.12 0.20 6.18 0.00 -1.26 -4.87 105.19 109.86 1vs6 n GLY 24 Ca 0.01 -0.94 0.15 0.00 0.00 0.00 0.00 46.02 45.24 1vs6 n GLY 24 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vs6 h SER 25 N 0.00 0.00 0.00 1.61 0.87 -2.03 -3.44 113.55 110.56 1vs6 h SER 25 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vs6 h SER 25 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1vs6 h SER 25 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1vs6 n GLY 26 N -0.10 1.35 0.00 5.77 0.00 -1.26 -5.11 105.19 105.84 1vs6 n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vs6 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vs6 n LEU 27 N 0.00 0.00 0.00 0.99 4.32 -1.26 -4.33 117.00 116.72 1vs6 n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1vs6 n LEU 27 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1vs6 n LEU 27 CO 0.00 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 176.69 1vs6 n GLY 28 N 2.29 1.64 0.00 -0.72 0.00 -1.26 -4.66 105.19 102.48 1vs6 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vs6 n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 29 N -2.00 0.00 0.00 1.61 0.00 -1.26 -5.06 118.16 111.45 1vs6 n LYS 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1vs6 n LYS 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1vs6 n LYS 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1vs6 n THR 30 N 3.56 0.00 -0.34 3.15 -2.24 -1.26 -5.00 114.28 112.16 1vs6 n THR 30 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1vs6 n THR 30 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1vs6 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs6 n GLY 31 N -0.32 -0.19 0.00 3.38 0.00 -1.26 -4.38 105.19 102.42 1vs6 n GLY 31 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1vs6 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 32 N 0.39 0.41 3.46 -0.02 0.00 -1.26 -4.99 105.19 103.18 1vs6 n GLY 32 Ca 0.04 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1vs6 n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vs6 n ARG 33 N 0.00 0.33 -0.19 1.61 -4.01 -1.26 -1.95 116.66 111.19 1vs6 n ARG 33 Ca 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1vs6 n ARG 33 Cb 0.00 -1.80 0.00 0.00 -3.04 0.00 0.00 32.46 27.62 1vs6 n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1vs6 n GLY 34 N 1.69 0.57 3.35 2.89 0.00 -1.26 -4.31 105.19 108.12 1vs6 n GLY 34 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1vs6 n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1vs6 n HIS 35 N -2.00 -0.95 -0.60 1.61 1.44 -0.82 -4.84 115.22 109.06 1vs6 n HIS 35 Ca 0.00 0.32 -0.30 0.00 -2.01 0.00 0.00 57.72 55.73 1vs6 n HIS 35 Cb 0.00 -1.39 0.19 0.00 0.12 0.00 0.00 29.99 28.91 1vs6 n HIS 35 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1vs6 n LYS 36 N -1.95 -2.01 0.00 -1.40 5.02 -1.26 -4.97 118.16 111.60 1vs6 n LYS 36 Ca -0.14 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 1vs6 n LYS 36 Cb 0.34 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1vs6 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vs6 n GLY 37 N 1.90 0.89 7.00 0.72 0.00 -1.26 -4.90 105.19 109.55 1vs6 n GLY 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vs6 n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vs6 n GLN 38 N 0.00 0.00 -2.15 1.61 0.00 -1.26 -4.60 117.38 110.97 1vs6 n GLN 38 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.95 1vs6 n GLN 38 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.51 1vs6 n GLN 38 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1vs6 n LYS 39 N 0.00 -2.32 -0.38 3.69 2.85 -1.26 0.10 118.16 120.84 1vs6 n LYS 39 Ca 0.00 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1vs6 n LYS 39 Cb 0.00 -4.67 0.00 0.00 -0.65 0.00 0.00 35.03 29.71 1vs6 n LYS 39 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1vs6 n SER 40 N -1.11 0.00 -2.28 -5.58 7.64 -1.26 -3.58 113.62 107.44 1vs6 n SER 40 Ca -0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.74 1vs6 n SER 40 Cb 0.45 -1.94 0.04 0.00 -1.01 0.00 0.00 64.21 61.75 1vs6 n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vs6 n ARG 41 N -2.00 -2.69 0.00 1.43 3.00 0.29 -4.92 116.66 111.76 1vs6 n ARG 41 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.28 1vs6 n ARG 41 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 32.46 28.40 1vs6 n ARG 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1vs6 n SER 42 N -2.17 0.00 0.00 0.55 3.41 -1.23 -5.12 113.62 109.05 1vs6 n SER 42 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1vs6 n SER 42 Cb 0.58 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1vs6 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vs6 n GLY 43 N -1.43 3.41 1.82 5.00 0.00 -1.26 -5.08 105.19 107.65 1vs6 n GLY 43 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1vs6 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 44 N -0.98 1.21 2.73 -0.02 0.00 -1.26 -4.73 105.19 102.15 1vs6 n GLY 44 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1vs6 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 45 N 0.00 3.16 0.00 -0.02 0.00 -1.26 -4.42 105.19 102.65 1vs6 n GLY 45 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1vs6 n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vs6 n VAL 46 N 4.70 0.00 -2.16 1.61 0.31 -1.26 -4.16 118.33 117.38 1vs6 n VAL 46 Ca 0.49 0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.45 1vs6 n VAL 46 Cb 0.23 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 1vs6 n VAL 46 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1vs6 s ARG 47 N -0.11 4.23 1.09 5.55 6.06 -1.26 -4.43 118.95 130.08 1vs6 s ARG 47 Ca 0.00 2.02 -0.17 0.00 -2.50 0.00 0.00 55.73 55.08 1vs6 s ARG 47 Cb 0.00 -3.75 0.16 0.00 0.06 0.00 0.00 34.95 31.42 1vs6 s ARG 47 CO 0.00 -0.70 0.22 -2.13 -2.50 0.00 0.00 175.30 170.19 1vs6 n ARG 48 N 6.20 -2.24 -1.80 5.12 0.63 -1.26 -3.49 116.66 119.82 1vs6 n ARG 48 Ca 0.15 -0.66 -0.15 0.00 -0.92 0.00 0.00 57.85 56.27 1vs6 n ARG 48 Cb 0.43 -1.59 -0.04 0.00 0.45 0.00 0.00 32.46 31.72 1vs6 n ARG 48 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vs6 n GLY 49 N 2.26 0.78 2.97 5.14 0.00 -1.26 -4.95 105.19 110.13 1vs6 n GLY 49 Ca 0.04 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1vs6 n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vs6 s PHE 50 N -2.64 3.32 -0.90 1.61 5.99 -1.23 -4.99 117.98 119.14 1vs6 s PHE 50 Ca 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 56.93 53.79 1vs6 s PHE 50 Cb 0.00 -2.87 0.28 0.00 0.00 0.00 0.00 43.02 40.43 1vs6 s PHE 50 CO 0.00 -0.72 1.12 -0.85 -0.00 0.00 0.00 175.22 174.78 1vs6 n GLU 51 N 2.90 3.53 -1.46 10.12 -0.00 -1.26 -4.87 120.64 129.60 1vs6 n GLU 51 Ca 0.09 -4.59 -0.46 0.00 -0.00 0.00 0.00 57.16 52.19 1vs6 n GLU 51 Cb 0.34 -2.41 -0.02 0.00 -0.00 0.00 0.00 31.44 29.35 1vs6 n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vs6 n GLY 52 N 1.29 -1.33 2.72 -1.84 0.00 -1.26 -3.78 105.19 100.99 1vs6 n GLY 52 Ca 0.27 0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.58 1vs6 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 53 N 1.77 -4.35 3.16 -0.02 0.00 -1.26 -4.90 105.19 99.58 1vs6 n GLY 53 Ca 0.15 0.76 -0.35 0.00 0.00 0.00 0.00 46.02 46.58 1vs6 n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vs6 n GLN 54 N 0.98 -0.23 -0.10 1.61 1.13 -1.25 -4.90 117.38 114.63 1vs6 n GLN 54 Ca -0.10 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.79 1vs6 n GLN 54 Cb 0.17 -1.33 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 1vs6 n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vs6 h MET 55 N -1.27 0.60 0.00 -1.09 -0.00 -1.90 -3.39 114.93 107.88 1vs6 h MET 55 Ca -0.44 -0.26 0.00 0.00 -0.00 0.00 0.00 59.70 59.00 1vs6 h MET 55 Cb 1.31 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.89 1vs6 h MET 55 CO 0.28 0.83 0.00 -2.30 -0.00 0.00 0.00 176.91 175.72 1vs6 n PRO 56 N -4.42 0.00 -0.62 -0.10 -0.02 -1.26 -4.20 135.00 124.38 1vs6 n PRO 56 Ca -0.03 0.03 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 1vs6 n PRO 56 Cb 0.37 -0.54 -0.02 0.00 -0.02 0.00 0.00 33.50 33.30 1vs6 n PRO 56 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1vs6 n LEU 57 N -0.06 -0.46 0.00 2.45 -0.00 -1.26 0.14 117.00 117.81 1vs6 n LEU 57 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1vs6 n LEU 57 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1vs6 n LEU 57 CO 0.00 -1.23 0.00 -1.22 -0.00 0.00 0.00 177.39 174.94 1vs6 n TYR 58 N 0.10 0.00 -0.48 1.47 0.53 -1.26 -4.21 117.16 113.30 1vs6 n TYR 58 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.96 1vs6 n TYR 58 Cb 0.10 -0.41 0.00 0.00 -1.03 0.00 0.00 39.34 38.00 1vs6 n TYR 58 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1vs6 n ARG 59 N -2.00 0.21 -1.23 -0.72 5.12 0.26 -4.74 116.66 113.56 1vs6 n ARG 59 Ca 0.00 -0.16 -0.24 0.00 -1.93 0.00 0.00 57.85 55.51 1vs6 n ARG 59 Cb 0.00 -0.61 0.15 0.00 -1.16 0.00 0.00 32.46 30.85 1vs6 n ARG 59 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1vs6 n ARG 60 N -0.08 2.35 -2.07 5.56 3.00 0.37 -4.89 116.66 120.90 1vs6 n ARG 60 Ca 0.00 -3.14 -0.27 0.00 -0.00 0.00 0.00 57.85 54.44 1vs6 n ARG 60 Cb 0.12 -2.16 0.09 0.00 0.00 0.00 0.00 32.46 30.50 1vs6 n ARG 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1vs6 s LEU 61 N -3.43 2.68 0.00 6.15 2.01 -1.26 -4.82 118.68 120.01 1vs6 s LEU 61 Ca 0.57 0.55 0.00 0.00 0.01 0.00 0.00 54.13 55.26 1vs6 s LEU 61 Cb 0.48 -3.07 0.00 0.00 0.01 0.00 0.00 46.19 43.61 1vs6 s LEU 61 CO 0.06 -1.83 0.00 -2.65 1.01 0.00 0.00 176.35 172.95 1vs6 n PRO 62 N -3.15 0.00 -3.40 1.29 -0.02 -1.26 -4.99 135.00 123.46 1vs6 n PRO 62 Ca 0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.34 1vs6 n PRO 62 Cb 0.61 -0.07 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 1vs6 n PRO 62 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vs6 s LYS 63 N 0.00 0.60 1.35 -0.52 2.36 -1.26 -5.15 119.74 117.12 1vs6 s LYS 63 Ca 0.00 -1.10 -0.20 0.00 -2.55 0.00 0.00 55.97 52.13 1vs6 s LYS 63 Cb 0.00 -0.99 0.33 0.00 -1.05 0.00 0.00 37.83 36.12 1vs6 s LYS 63 CO 0.00 -1.21 0.85 1.19 1.55 0.00 0.00 175.35 177.73 1vs6 n PHE 64 N 4.12 -2.81 -2.94 4.03 0.99 -1.26 -5.07 117.46 114.52 1vs6 n PHE 64 Ca 0.12 -0.52 0.00 0.00 -0.00 0.00 0.00 57.45 57.05 1vs6 n PHE 64 Cb 0.41 -1.47 0.00 0.00 -1.00 0.00 0.00 39.48 37.43 1vs6 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1vs6 n GLY 65 N 1.66 2.11 0.00 1.37 0.00 -1.26 -5.15 105.19 103.93 1vs6 n GLY 65 Ca 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1vs6 n GLY 65 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1vs6 n PHE 66 N -0.82 0.00 -3.53 1.61 -1.74 -1.26 -5.18 117.46 106.53 1vs6 n PHE 66 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.82 1vs6 n PHE 66 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1vs6 n PHE 66 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1vs6 n THR 67 N -0.21 0.00 -3.73 1.97 5.66 -1.26 -5.13 114.28 111.58 1vs6 n THR 67 Ca 0.00 -0.57 -0.28 0.00 -3.05 0.00 0.00 64.05 60.16 1vs6 n THR 67 Cb 0.00 -0.43 -0.16 0.00 -1.55 0.00 0.00 70.33 68.18 1vs6 n THR 67 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vs6 s SER 68 N -1.86 2.95 -0.16 1.09 0.01 -1.26 -5.09 113.70 109.38 1vs6 s SER 68 Ca 0.09 -0.85 -0.29 0.00 1.31 0.00 0.00 55.95 56.21 1vs6 s SER 68 Cb -0.01 -0.60 -0.06 0.00 0.21 0.00 0.00 66.02 65.57 1vs6 s SER 68 CO 0.06 -0.31 2.14 0.00 0.41 0.00 0.00 173.24 175.54 1vs6 s ARG 69 N 1.86 3.39 0.44 12.44 1.70 -1.26 -4.79 118.95 132.73 1vs6 s ARG 69 Ca -0.01 2.16 0.30 0.00 -0.47 0.00 0.00 55.73 57.71 1vs6 s ARG 69 Cb -0.17 -4.31 1.57 0.00 -0.57 0.00 0.00 34.95 31.46 1vs6 s ARG 69 CO -0.09 -1.81 1.92 1.57 -1.08 0.00 0.00 175.30 175.82 1vs6 h LYS 70 N 13.87 0.00 -5.91 3.89 5.09 -2.06 -3.41 116.57 128.03 1vs6 h LYS 70 Ca -0.43 0.00 -0.61 0.00 0.09 0.00 0.00 60.65 59.70 1vs6 h LYS 70 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 1vs6 h LYS 70 CO 0.96 0.00 1.48 0.00 -2.09 0.00 0.00 179.45 179.80 1vs6 n ALA 71 N -1.90 1.29 -0.16 0.07 0.00 -1.26 -4.76 120.51 113.78 1vs6 n ALA 71 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.21 1vs6 n ALA 71 Cb 0.10 -2.74 0.04 0.00 0.00 0.00 0.00 19.45 16.84 1vs6 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 72 N 11.19 0.02 0.00 0.00 0.00 -1.26 -4.32 120.51 126.14 1vs6 n ALA 72 Ca 0.38 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1vs6 n ALA 72 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1vs6 n ALA 72 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1vs6 n ILE 73 N -4.68 0.00 -3.65 0.00 3.06 -1.26 -4.99 119.36 107.83 1vs6 n ILE 73 Ca 0.06 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.08 1vs6 n ILE 73 Cb 0.20 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.32 1vs6 n ILE 73 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1vs6 n THR 74 N 0.00 -0.46 -1.49 9.51 -1.04 -1.26 -4.62 114.28 114.91 1vs6 n THR 74 Ca 0.00 -0.23 -0.58 0.00 -2.04 0.00 0.00 64.05 61.19 1vs6 n THR 74 Cb 0.00 -0.56 -0.08 0.00 -1.82 0.00 0.00 70.33 67.87 1vs6 n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vs6 n ALA 75 N -3.22 -2.83 -1.67 2.41 0.00 -1.26 -4.73 120.51 109.20 1vs6 n ALA 75 Ca -0.13 0.54 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 75 Cb 0.41 -1.71 0.01 0.00 0.00 0.00 0.00 19.45 18.16 1vs6 n ALA 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs6 n GLU 76 N 2.13 1.80 0.02 0.00 1.02 -1.26 -4.67 120.64 119.68 1vs6 n GLU 76 Ca 0.22 0.64 -0.03 0.00 -0.02 0.00 0.00 57.16 57.97 1vs6 n GLU 76 Cb 0.04 -2.27 -0.02 0.00 -0.02 0.00 0.00 31.44 29.17 1vs6 n GLU 76 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1vs6 h ILE 77 N 2.04 0.00 0.00 -3.67 2.04 -1.67 -3.48 117.51 112.76 1vs6 h ILE 77 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1vs6 h ILE 77 Cb 1.30 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1vs6 h ILE 77 CO 0.60 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.64 1vs6 n ARG 78 N -2.94 -2.47 -0.45 2.37 -4.01 -1.26 -4.74 116.66 103.15 1vs6 n ARG 78 Ca -0.01 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.70 1vs6 n ARG 78 Cb 0.07 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.44 1vs6 n ARG 78 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1vs6 n LEU 79 N 0.00 2.70 -3.83 2.89 4.32 -1.26 -4.31 117.00 117.51 1vs6 n LEU 79 Ca 0.00 -1.91 -0.29 0.00 -0.02 0.00 0.00 56.01 53.79 1vs6 n LEU 79 Cb 0.00 -0.72 0.03 0.00 -1.62 0.00 0.00 43.42 41.11 1vs6 n LEU 79 CO 0.00 0.24 0.12 -0.24 -1.22 0.00 0.00 177.39 176.29 1vs6 n SER 80 N 3.53 -5.08 0.00 -1.43 2.88 -1.26 -1.05 113.62 111.22 1vs6 n SER 80 Ca 0.23 -0.72 0.11 0.00 -1.33 0.00 0.00 58.87 57.16 1vs6 n SER 80 Cb 0.24 -4.05 -0.08 0.00 -0.75 0.00 0.00 64.21 59.57 1vs6 n SER 80 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1vs6 n ASP 81 N -2.83 0.68 -2.38 -3.46 9.92 -1.26 -3.33 116.55 113.89 1vs6 n ASP 81 Ca 0.03 -0.58 -0.26 0.00 -0.53 0.00 0.00 54.79 53.45 1vs6 n ASP 81 Cb 0.53 1.13 -0.02 0.00 -0.64 0.00 0.00 41.12 42.12 1vs6 n ASP 81 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1vs6 n LEU 82 N -1.75 -0.62 -0.14 0.64 -0.00 -1.26 -4.65 117.00 109.21 1vs6 n LEU 82 Ca 0.02 0.61 0.00 0.00 -0.00 0.00 0.00 56.01 56.64 1vs6 n LEU 82 Cb 0.40 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1vs6 n LEU 82 CO 0.43 -1.57 -0.04 0.00 -0.00 0.00 0.00 177.39 176.21 1vs6 n ALA 83 N 0.06 -1.57 -2.09 1.96 0.00 -1.26 -4.58 120.51 113.03 1vs6 n ALA 83 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1vs6 n ALA 83 Cb 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1vs6 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vs6 n LYS 84 N -0.98 -2.76 -0.25 0.00 4.76 -1.26 -4.14 118.16 113.52 1vs6 n LYS 84 Ca 0.00 1.98 0.00 0.00 -2.87 0.00 0.00 58.31 57.42 1vs6 n LYS 84 Cb 0.00 -2.63 0.00 0.00 -1.84 0.00 0.00 35.03 30.56 1vs6 n LYS 84 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1vs6 n VAL 85 N 1.88 0.00 -0.68 -0.18 3.14 -1.26 -4.74 118.33 116.48 1vs6 n VAL 85 Ca 0.00 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 1vs6 n VAL 85 Cb 0.00 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 32.94 1vs6 n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1vs6 n GLU 86 N -2.00 2.50 0.00 1.45 -0.58 -1.26 -3.71 120.64 117.04 1vs6 n GLU 86 Ca 0.00 -2.39 0.00 0.00 -0.42 0.00 0.00 57.16 54.35 1vs6 n GLU 86 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1vs6 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vs6 n GLY 87 N -0.53 2.13 0.00 0.62 0.00 -1.26 -4.68 105.19 101.47 1vs6 n GLY 87 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1vs6 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 88 N 0.00 4.52 0.00 -0.02 0.00 -1.26 -4.79 105.19 103.65 1vs6 n GLY 88 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.37 1vs6 n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vs6 n VAL 89 N 0.00 0.00 -1.67 1.61 3.14 -1.26 -4.83 118.33 115.32 1vs6 n VAL 89 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vs6 n VAL 89 Cb 0.00 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 1vs6 n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1vs6 n VAL 90 N -0.86 -0.35 0.00 1.55 0.31 -1.26 -4.92 118.33 112.81 1vs6 n VAL 90 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1vs6 n VAL 90 Cb 0.05 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1vs6 n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1vs6 n ASP 91 N 1.92 0.00 0.00 4.52 -0.08 -1.22 -4.61 116.55 117.07 1vs6 n ASP 91 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1vs6 n ASP 91 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1vs6 n ASP 91 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1vs6 n LEU 92 N 0.00 0.00 0.00 -2.67 0.00 -1.26 -3.55 117.00 109.51 1vs6 n LEU 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1vs6 n LEU 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1vs6 n LEU 92 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 177.39 177.98 1vs6 n ASN 93 N 0.00 0.00 0.02 1.96 4.13 -1.26 -4.30 115.26 115.81 1vs6 n ASN 93 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1vs6 n ASN 93 Cb 0.00 0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1vs6 n ASN 93 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1vs6 n THR 94 N -2.43 0.00 -0.86 3.41 5.66 -1.26 -4.85 114.28 113.95 1vs6 n THR 94 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1vs6 n THR 94 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1vs6 n THR 94 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1vs6 n LEU 95 N -2.89 0.86 -4.39 1.09 4.32 -1.26 -4.12 117.00 110.60 1vs6 n LEU 95 Ca 0.00 -1.71 -0.23 0.00 -0.02 0.00 0.00 56.01 54.05 1vs6 n LEU 95 Cb 0.00 -0.82 -0.11 0.00 -1.62 0.00 0.00 43.42 40.87 1vs6 n LEU 95 CO 0.00 -2.41 -0.49 -0.54 -1.22 0.00 0.00 177.39 172.74 1vs6 s LYS 96 N 7.11 1.43 -0.08 3.23 3.01 -1.26 -4.81 119.74 128.36 1vs6 s LYS 96 Ca 0.66 -1.54 -0.09 0.00 -1.01 0.00 0.00 55.97 53.99 1vs6 s LYS 96 Cb 0.08 -1.52 -0.03 0.00 -1.01 0.00 0.00 37.83 35.35 1vs6 s LYS 96 CO 0.27 0.30 -0.17 0.00 0.51 0.00 0.00 175.35 176.26 1vs6 n ALA 97 N -0.02 0.61 -0.02 5.17 0.00 -1.26 -4.44 120.51 120.56 1vs6 n ALA 97 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1vs6 n ALA 97 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1vs6 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 98 N -3.46 -0.40 -3.85 0.00 0.00 -1.24 -4.37 120.51 107.18 1vs6 n ALA 98 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1vs6 n ALA 98 Cb 0.25 0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 1vs6 n ALA 98 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1vs6 s ASN 99 N -2.19 5.08 0.17 0.00 0.01 -1.26 -5.09 114.94 111.66 1vs6 s ASN 99 Ca 0.00 -2.04 0.07 0.00 -0.71 0.00 0.00 52.86 50.18 1vs6 s ASN 99 Cb 0.00 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 1vs6 s ASN 99 CO 0.00 -0.48 0.04 -0.51 -1.51 0.00 0.00 177.10 174.64 1vs6 s ILE 100 N 1.07 3.95 -0.16 0.60 2.07 -1.26 -4.79 121.20 122.68 1vs6 s ILE 100 Ca 0.08 -1.32 0.19 0.00 -1.41 0.00 0.00 60.65 58.20 1vs6 s ILE 100 Cb -0.21 -2.99 -0.12 0.00 0.13 0.00 0.00 42.46 39.27 1vs6 s ILE 100 CO -0.05 -0.11 0.82 0.00 -1.91 0.00 0.00 174.94 173.69 1vs6 n ILE 101 N -0.18 0.87 -1.47 2.00 0.13 -1.26 -5.02 119.36 114.43 1vs6 n ILE 101 Ca -0.09 -0.63 0.00 0.00 -1.10 0.00 0.00 62.75 60.93 1vs6 n ILE 101 Cb 0.55 -0.50 0.00 0.00 -0.84 0.00 0.00 39.64 38.85 1vs6 n ILE 101 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1vs6 n GLY 102 N 1.32 -4.03 3.72 4.50 0.00 -1.26 -4.89 105.19 104.55 1vs6 n GLY 102 Ca -0.07 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1vs6 n GLY 102 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vs6 s ILE 103 N -0.23 3.82 0.00 -0.61 -1.16 -1.26 -4.15 121.20 117.61 1vs6 s ILE 103 Ca 0.00 1.41 0.00 0.00 -0.51 0.00 0.00 60.65 61.55 1vs6 s ILE 103 Cb 0.00 -3.90 0.00 0.00 0.61 0.00 0.00 42.46 39.17 1vs6 s ILE 103 CO 0.00 0.16 0.00 0.00 -2.81 0.00 0.00 174.94 172.29 1vs6 n GLN 104 N 3.26 0.00 -2.29 3.50 10.64 -1.26 -5.16 117.38 126.07 1vs6 n GLN 104 Ca 0.07 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.92 1vs6 n GLN 104 Cb 0.46 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.81 1vs6 n GLN 104 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1vs6 s ILE 105 N 0.00 4.55 -0.17 -0.39 -0.00 -1.26 -4.94 121.20 118.99 1vs6 s ILE 105 Ca 0.00 1.15 -0.14 0.00 -0.00 0.00 0.00 60.65 61.66 1vs6 s ILE 105 Cb 0.00 -3.74 -0.10 0.00 -0.00 0.00 0.00 42.46 38.63 1vs6 s ILE 105 CO 0.00 -0.77 -0.04 -1.84 -0.00 0.00 0.00 174.94 172.29 1vs6 n GLU 106 N -1.80 0.50 -4.56 0.37 0.00 -1.26 -5.04 120.64 108.86 1vs6 n GLU 106 Ca 0.07 0.53 -0.27 0.00 0.00 0.00 0.00 57.16 57.49 1vs6 n GLU 106 Cb 0.54 -1.70 -0.08 0.00 0.00 0.00 0.00 31.44 30.20 1vs6 n GLU 106 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1vs6 s PHE 107 N -2.32 1.81 0.00 -1.84 0.40 -1.26 -5.13 117.98 109.64 1vs6 s PHE 107 Ca -0.21 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 54.89 1vs6 s PHE 107 Cb 0.04 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.33 1vs6 s PHE 107 CO 0.38 -0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.10 1vs6 n ALA 108 N -0.97 2.11 -1.82 5.36 0.00 -1.26 -4.51 120.51 119.42 1vs6 n ALA 108 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1vs6 n ALA 108 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1vs6 n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vs6 n LYS 109 N -1.16 -3.68 -4.38 0.00 4.81 -1.23 -4.21 118.16 108.30 1vs6 n LYS 109 Ca 0.00 2.80 -0.34 0.00 -0.87 0.00 0.00 58.31 59.91 1vs6 n LYS 109 Cb 0.00 -3.27 -0.12 0.00 0.02 0.00 0.00 35.03 31.66 1vs6 n LYS 109 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1vs6 s VAL 110 N -0.39 3.95 0.40 3.15 1.01 -1.26 -2.65 120.40 124.61 1vs6 s VAL 110 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1vs6 s VAL 110 Cb 0.00 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1vs6 s VAL 110 CO 0.00 0.49 0.55 2.30 0.00 0.00 0.00 175.10 178.44 1vs6 n ILE 111 N 3.51 0.00 -4.52 2.22 -0.00 -1.26 -4.37 119.36 114.94 1vs6 n ILE 111 Ca -0.17 -0.53 -0.33 0.00 -0.00 0.00 0.00 62.75 61.71 1vs6 n ILE 111 Cb 0.52 -1.57 -0.15 0.00 -0.00 0.00 0.00 39.64 38.44 1vs6 n ILE 111 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1vs6 s LEU 112 N 0.00 2.51 0.00 7.28 2.34 -1.26 -4.24 118.68 125.31 1vs6 s LEU 112 Ca 0.33 -0.46 0.00 0.00 0.06 0.00 0.00 54.13 54.06 1vs6 s LEU 112 Cb -0.01 -1.57 0.00 0.00 -0.56 0.00 0.00 46.19 44.05 1vs6 s LEU 112 CO 0.22 0.09 0.00 0.00 -1.06 0.00 0.00 176.35 175.60 1vs6 n ALA 113 N 4.05 1.03 -1.00 1.48 0.00 -1.26 -4.90 120.51 119.90 1vs6 n ALA 113 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1vs6 n ALA 113 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1vs6 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 114 N 0.50 -2.97 3.76 0.00 0.00 -0.21 -4.86 105.19 101.41 1vs6 n GLY 114 Ca 0.00 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 1vs6 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vs6 s GLU 115 N 0.00 4.72 0.57 1.61 2.56 -1.24 -4.68 118.70 122.24 1vs6 s GLU 115 Ca 0.00 1.35 -0.08 0.00 0.00 0.00 0.00 54.97 56.24 1vs6 s GLU 115 Cb 0.00 -3.17 0.13 0.00 2.00 0.00 0.00 34.13 33.08 1vs6 s GLU 115 CO 0.00 0.49 0.78 0.28 -0.56 0.00 0.00 175.26 176.25 1vs6 n VAL 116 N 1.32 0.00 0.00 3.70 0.31 -1.21 -4.09 118.33 118.36 1vs6 n VAL 116 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 1vs6 n VAL 116 Cb 0.48 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1vs6 n VAL 116 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1vs6 n THR 117 N -2.96 0.00 0.00 2.52 -2.24 -1.25 -4.94 114.28 105.41 1vs6 n THR 117 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1vs6 n THR 117 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1vs6 n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vs6 n THR 118 N 0.00 0.00 -3.92 4.28 -2.24 -1.26 -5.09 114.28 106.05 1vs6 n THR 118 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1vs6 n THR 118 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1vs6 n THR 118 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1vs6 s PRO 119 N -1.00 0.09 0.00 -0.78 0.04 -1.26 -4.87 135.00 127.22 1vs6 s PRO 119 Ca 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1vs6 s PRO 119 Cb 0.00 -0.05 0.00 0.00 0.04 0.00 0.00 34.50 34.49 1vs6 s PRO 119 CO 0.00 0.01 0.00 1.55 0.04 0.00 0.00 177.00 178.60 1vs6 n VAL 120 N 2.90 0.00 -3.47 -0.36 3.14 -1.26 -4.75 118.33 114.53 1vs6 n VAL 120 Ca -0.13 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 1vs6 n VAL 120 Cb 0.59 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.32 1vs6 n VAL 120 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1vs6 s THR 121 N 0.00 4.93 0.36 1.55 2.01 -1.26 0.03 115.64 123.26 1vs6 s THR 121 Ca 0.00 -2.67 -0.25 0.00 0.31 0.00 0.00 61.69 59.08 1vs6 s THR 121 Cb 0.00 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1vs6 s THR 121 CO 0.00 -0.98 1.01 0.68 -0.69 0.00 0.00 174.62 174.64 1vs6 s VAL 122 N 0.06 3.94 0.00 3.82 -7.23 -0.87 -3.40 120.40 116.72 1vs6 s VAL 122 Ca 0.18 1.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.88 1vs6 s VAL 122 Cb -0.14 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1vs6 s VAL 122 CO -0.07 0.06 0.00 0.54 -0.31 0.00 0.00 175.10 175.32 1vs6 n ARG 123 N 0.21 0.00 -3.04 4.82 1.74 -1.23 -3.76 116.66 115.40 1vs6 n ARG 123 Ca 0.04 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 1vs6 n ARG 123 Cb 0.50 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 1vs6 n ARG 123 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vs6 n GLY 124 N 0.98 -0.47 5.76 -0.13 0.00 -1.26 -3.91 105.19 106.16 1vs6 n GLY 124 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vs6 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vs6 n LEU 125 N -2.92 0.00 0.00 0.99 4.77 -1.26 -3.54 117.00 115.04 1vs6 n LEU 125 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1vs6 n LEU 125 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1vs6 n LEU 125 CO 0.26 0.00 -0.05 -2.11 -1.33 0.00 0.00 177.39 174.16 1vs6 n ARG 126 N 0.00 -0.53 0.00 3.23 -4.01 -1.25 -4.79 116.66 109.30 1vs6 n ARG 126 Ca 0.00 0.35 0.00 0.00 -1.04 0.00 0.00 57.85 57.16 1vs6 n ARG 126 Cb 0.00 -0.65 0.00 0.00 -3.04 0.00 0.00 32.46 28.77 1vs6 n ARG 126 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 1vs6 n VAL 127 N -1.17 0.00 -0.64 8.89 0.24 -1.26 -4.87 118.33 119.51 1vs6 n VAL 127 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vs6 n VAL 127 Cb 0.12 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1vs6 n VAL 127 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vs6 n THR 128 N 0.00 -2.85 0.08 3.34 -2.24 -1.26 -4.36 114.28 107.00 1vs6 n THR 128 Ca 0.00 0.88 0.02 0.00 -2.27 0.00 0.00 64.05 62.68 1vs6 n THR 128 Cb 0.00 -1.92 0.38 0.00 -2.10 0.00 0.00 70.33 66.69 1vs6 n THR 128 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1vs6 h LYS 129 N 1.02 0.33 -0.73 -0.78 3.11 -1.99 -0.31 116.57 117.22 1vs6 h LYS 129 Ca 0.00 -0.06 0.13 0.00 -2.81 0.00 0.00 60.65 57.91 1vs6 h LYS 129 Cb 0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.13 1vs6 h LYS 129 CO 0.00 0.40 0.48 0.78 -2.81 0.00 0.00 179.45 178.31 1vs6 h GLY 130 N 0.70 0.71 0.21 5.01 0.00 -1.95 -1.19 103.07 106.57 1vs6 h GLY 130 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1vs6 h GLY 130 CO 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 176.54 176.53 1vs6 h ALA 131 N 1.65 -0.31 -1.26 3.60 0.00 -1.28 -2.76 119.26 118.90 1vs6 h ALA 131 Ca 0.35 -0.06 0.40 0.00 0.00 0.00 0.00 54.91 55.60 1vs6 h ALA 131 Cb 0.75 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1vs6 h ALA 131 CO -0.11 -0.29 0.82 0.00 0.00 0.00 0.00 179.25 179.66 1vs6 h ARG 132 N -0.94 0.14 -0.00 0.00 3.08 -1.02 0.97 114.38 116.62 1vs6 h ARG 132 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vs6 h ARG 132 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1vs6 h ARG 132 CO 0.05 0.09 -0.83 0.00 -1.07 0.00 0.00 179.97 178.22 1vs6 n ALA 133 N -2.52 4.35 -0.03 0.04 0.00 -0.48 -2.96 120.51 118.91 1vs6 n ALA 133 Ca 0.34 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1vs6 n ALA 133 Cb 1.31 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1vs6 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 134 N -1.46 2.11 0.59 0.00 0.00 0.53 -4.50 120.51 117.78 1vs6 n ALA 134 Ca 0.05 -0.46 0.11 0.00 0.00 0.00 0.00 53.44 53.13 1vs6 n ALA 134 Cb 0.33 -0.20 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 1vs6 n ALA 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1vs6 n ILE 135 N -2.12 0.02 0.00 0.00 5.41 0.30 -4.43 119.36 118.54 1vs6 n ILE 135 Ca -0.09 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1vs6 n ILE 135 Cb 0.54 0.55 0.00 0.00 -0.71 0.00 0.00 39.64 40.02 1vs6 n ILE 135 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1vs6 n GLU 136 N -1.83 0.00 0.00 0.38 0.28 -1.16 -0.88 120.64 117.44 1vs6 n GLU 136 Ca 0.01 0.21 0.10 0.00 -0.16 0.00 0.00 57.16 57.32 1vs6 n GLU 136 Cb 0.43 -1.60 0.60 0.00 1.43 0.00 0.00 31.44 32.30 1vs6 n GLU 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vs6 n ALA 137 N -1.15 2.25 -3.28 -1.84 0.00 -1.26 -4.82 120.51 110.40 1vs6 n ALA 137 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1vs6 n ALA 137 Cb 0.10 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1vs6 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 138 N -1.02 -0.69 -1.38 0.00 0.00 -0.06 -4.77 120.51 112.58 1vs6 n ALA 138 Ca 0.15 -0.41 -0.50 0.00 0.00 0.00 0.00 53.44 52.67 1vs6 n ALA 138 Cb 0.08 0.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1vs6 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 139 N -0.20 -1.09 0.10 0.00 0.00 0.10 -4.86 105.19 99.24 1vs6 n GLY 139 Ca -0.02 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1vs6 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 140 N 1.72 -0.57 2.65 -0.02 0.00 -1.26 -2.05 105.19 105.66 1vs6 n GLY 140 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1vs6 n GLY 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 141 N -4.43 -0.92 0.08 1.61 3.00 -1.25 -4.16 118.16 112.10 1vs6 n LYS 141 Ca -0.22 0.97 -0.23 0.00 -0.00 0.00 0.00 58.31 58.83 1vs6 n LYS 141 Cb 0.58 -0.72 -0.15 0.00 0.00 0.00 0.00 35.03 34.73 1vs6 n LYS 141 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1vs6 h ILE 142 N 4.32 1.20 -0.38 3.15 3.07 -1.87 -3.35 117.51 123.66 1vs6 h ILE 142 Ca 0.00 -2.56 0.01 0.00 1.55 0.00 0.00 64.86 63.87 1vs6 h ILE 142 Cb 0.18 2.95 -0.00 0.00 -0.27 0.00 0.00 36.82 39.68 1vs6 h ILE 142 CO 0.00 0.78 -0.02 -1.84 -1.05 0.00 0.00 178.15 176.02 1vs6 n GLU 143 N -3.83 -0.10 0.00 0.16 0.00 -1.26 -4.08 120.64 111.54 1vs6 n GLU 143 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.03 1vs6 n GLU 143 Cb 0.99 -0.12 0.00 0.00 0.00 0.00 0.00 31.44 32.31 1vs6 n GLU 143 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28