#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6v s ALA 2 N 0.00 -3.57 -0.22 0.00 0.00 -1.26 -5.08 121.76 111.62 1a6v s ALA 2 Ca 0.00 1.40 -0.37 0.00 0.00 0.00 0.00 51.96 53.00 1a6v s ALA 2 Cb 0.00 -2.58 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 1a6v s ALA 2 CO 0.00 -1.62 1.91 1.33 0.00 0.00 0.00 175.76 177.38 1a6v n VAL 3 N 5.39 0.39 -3.89 0.00 0.24 -1.26 -4.84 118.33 114.36 1a6v n VAL 3 Ca -0.03 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.34 61.79 1a6v n VAL 3 Cb 0.55 -1.60 -0.11 0.00 -1.47 0.00 0.00 33.84 31.21 1a6v n VAL 3 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1a6v s VAL 4 N 4.73 4.72 -0.09 3.34 1.01 -1.26 -3.11 120.40 129.74 1a6v s VAL 4 Ca 0.99 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1a6v s VAL 4 Cb -0.87 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1a6v s VAL 4 CO 0.56 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.95 1a6v s THR 5 N 0.89 1.91 0.15 3.92 2.01 -0.11 -4.22 115.64 120.19 1a6v s THR 5 Ca 0.04 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.20 1a6v s THR 5 Cb -0.14 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1a6v s THR 5 CO 0.03 0.53 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.17 1a6v s GLN 6 N 0.35 1.29 0.57 4.92 -0.21 -1.26 -0.74 119.66 124.58 1a6v s GLN 6 Ca -0.17 -1.36 -0.20 0.00 0.02 0.00 0.00 55.36 53.65 1a6v s GLN 6 Cb -0.17 -1.51 -0.05 0.00 1.00 0.00 0.00 33.01 32.27 1a6v s GLN 6 CO 0.08 0.33 1.12 0.39 -2.12 0.00 0.00 175.29 175.09 1a6v n GLU 7 N 0.58 1.21 -0.02 2.91 4.71 -1.26 -4.78 120.64 124.00 1a6v n GLU 7 Ca -0.15 0.46 -0.17 0.00 -0.01 0.00 0.00 57.16 57.28 1a6v n GLU 7 Cb 0.55 -2.30 -0.09 0.00 -1.01 0.00 0.00 31.44 28.59 1a6v n GLU 7 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1a6v h SER 8 N 0.91 0.68 -5.06 1.62 0.87 -1.96 -3.30 113.55 107.31 1a6v h SER 8 Ca -0.49 -0.67 -0.06 0.00 -1.23 0.00 0.00 61.79 59.34 1a6v h SER 8 Cb 1.34 -0.20 -0.15 0.00 -0.44 0.00 0.00 62.40 62.95 1a6v h SER 8 CO 0.54 1.25 -0.08 0.00 -0.53 0.00 0.00 176.83 178.00 1a6v s ALA 9 N -3.57 -0.98 0.06 6.23 0.00 -1.26 -1.83 121.76 120.41 1a6v s ALA 9 Ca -0.12 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1a6v s ALA 9 Cb 0.06 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1a6v s ALA 9 CO 0.85 -0.56 0.11 -0.51 0.00 0.00 0.00 175.76 175.65 1a6v s LEU 10 N -2.44 1.79 -0.20 0.00 1.43 -0.97 -4.90 118.68 113.39 1a6v s LEU 10 Ca -0.01 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1a6v s LEU 10 Cb 0.01 0.71 0.08 0.00 0.03 0.00 0.00 46.19 47.02 1a6v s LEU 10 CO -0.08 -0.64 0.15 0.28 0.23 0.00 0.00 176.35 176.29 1a6v s THR 11 N -3.56 -0.19 0.00 5.49 -1.32 -1.26 -1.38 115.64 113.43 1a6v s THR 11 Ca 0.03 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 1a6v s THR 11 Cb 0.04 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 1a6v s THR 11 CO -0.09 -0.30 0.00 1.07 -2.21 0.00 0.00 174.62 173.09 1a6v n THR 12 N 5.29 0.00 -3.54 5.08 5.66 0.81 -4.98 114.28 122.60 1a6v n THR 12 Ca -0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.85 1a6v n THR 12 Cb 0.48 -0.38 -0.03 0.00 -1.55 0.00 0.00 70.33 68.85 1a6v n THR 12 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1a6v s SER 13 N 0.12 -0.36 0.01 1.09 1.04 -1.26 -2.06 113.70 112.28 1a6v s SER 13 Ca 0.00 0.17 -0.31 0.00 0.48 0.00 0.00 55.95 56.29 1a6v s SER 13 Cb 0.00 0.34 -0.16 0.00 0.10 0.00 0.00 66.02 66.30 1a6v s SER 13 CO 0.00 -0.49 0.82 -2.65 0.98 0.00 0.00 173.24 171.90 1a6v n PRO 14 N 0.17 0.00 0.00 4.02 -0.02 -1.23 -1.63 135.00 136.31 1a6v n PRO 14 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1a6v n PRO 14 Cb 0.60 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1a6v n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6v n GLY 15 N 1.22 1.75 3.71 -1.23 0.00 0.22 -4.94 105.19 105.90 1a6v n GLY 15 Ca 0.16 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1a6v n GLY 15 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a6v n GLU 16 N 0.00 1.35 -2.55 1.61 4.07 -0.65 -3.90 120.64 120.58 1a6v n GLU 16 Ca 0.00 0.51 -0.32 0.00 -0.06 0.00 0.00 57.16 57.28 1a6v n GLU 16 Cb 0.00 -2.45 -0.05 0.00 -0.06 0.00 0.00 31.44 28.88 1a6v n GLU 16 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1a6v s THR 17 N -1.36 4.47 -0.07 6.31 2.01 -1.26 -2.52 115.64 123.23 1a6v s THR 17 Ca 0.75 1.31 -0.05 0.00 0.31 0.00 0.00 61.69 64.02 1a6v s THR 17 Cb -0.41 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.45 1a6v s THR 17 CO 0.47 -0.55 0.16 -0.69 -0.69 0.00 0.00 174.62 173.32 1a6v s VAL 18 N -2.46 -0.02 -0.11 3.82 1.01 0.25 -4.95 120.40 117.94 1a6v s VAL 18 Ca 0.60 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1a6v s VAL 18 Cb -0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 1a6v s VAL 18 CO 0.25 0.02 -0.23 -0.89 0.00 0.00 0.00 175.10 174.25 1a6v s THR 19 N 0.47 2.17 -0.06 3.92 2.01 -1.26 0.17 115.64 123.06 1a6v s THR 19 Ca -0.03 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.04 1a6v s THR 19 Cb -0.05 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1a6v s THR 19 CO -0.02 0.55 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.48 1a6v s LEU 20 N 0.40 2.01 0.25 4.42 1.02 -0.33 -5.02 118.68 121.43 1a6v s LEU 20 Ca -0.17 -0.47 0.08 0.00 0.02 0.00 0.00 54.13 53.60 1a6v s LEU 20 Cb -0.17 -1.25 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 1a6v s LEU 20 CO 0.07 0.19 0.06 0.42 0.02 0.00 0.00 176.35 177.12 1a6v s THR 21 N 0.03 3.83 -0.10 5.49 -4.23 -1.26 -2.17 115.64 117.22 1a6v s THR 21 Ca -0.07 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1a6v s THR 21 Cb -0.14 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.68 1a6v s THR 21 CO 0.04 -0.32 -0.15 0.00 -0.54 0.00 0.00 174.62 173.64 1a6v s ARG 23 N 0.87 1.26 0.53 0.00 1.70 0.08 -1.95 118.95 121.44 1a6v s ARG 23 Ca -0.09 -0.39 -0.11 0.00 -0.47 0.00 0.00 55.73 54.67 1a6v s ARG 23 Cb -0.15 -1.13 -0.05 0.00 -0.57 0.00 0.00 34.95 33.05 1a6v s ARG 23 CO 0.00 0.13 0.92 0.45 -1.08 0.00 0.00 175.30 175.72 1a6v s SER 24 N 0.25 6.37 -0.10 -2.89 0.15 -1.25 -0.93 113.70 115.29 1a6v s SER 24 Ca -0.05 1.29 -0.07 0.00 0.70 0.00 0.00 55.95 57.82 1a6v s SER 24 Cb -0.11 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1a6v s SER 24 CO 0.01 -0.66 -0.17 -0.24 1.20 0.00 0.00 173.24 173.38 1a6v n SER 25 N -2.14 1.10 0.19 5.45 2.88 -1.18 -4.70 113.62 115.23 1a6v n SER 25 Ca 0.04 0.18 0.16 0.00 -1.33 0.00 0.00 58.87 57.92 1a6v n SER 25 Cb 0.54 -0.43 0.78 0.00 -0.75 0.00 0.00 64.21 64.35 1a6v n SER 25 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1a6v h THR 26 N -0.47 0.64 0.00 2.46 1.35 -1.94 -3.47 112.91 111.48 1a6v h THR 26 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1a6v h THR 26 Cb 1.04 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1a6v h THR 26 CO -0.14 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 1a6v n GLY 27 N -1.47 1.15 3.92 5.82 0.00 -1.26 -5.17 105.19 108.18 1a6v n GLY 27 Ca 0.02 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1a6v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6v s ALA 28 N -1.00 3.16 -0.38 4.61 0.00 -1.26 -4.50 121.76 122.38 1a6v s ALA 28 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1a6v s ALA 28 Cb 0.00 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1a6v s ALA 28 CO 0.00 -1.21 0.20 0.14 0.00 0.00 0.00 175.76 174.89 1a6v s VAL 29 N -3.21 4.32 0.00 0.00 -7.23 -1.17 -4.91 120.40 108.19 1a6v s VAL 29 Ca 0.59 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1a6v s VAL 29 Cb -0.11 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.36 1a6v s VAL 29 CO 0.45 -0.29 0.00 0.35 -0.31 0.00 0.00 175.10 175.30 1a6v n THR 30 N 4.94 0.00 0.66 5.32 -2.24 -1.26 -4.71 114.28 116.99 1a6v n THR 30 Ca -0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1a6v n THR 30 Cb 0.45 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1a6v n THR 30 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a6v n THR 31 N 0.00 0.00 0.60 4.28 -2.24 -1.26 -4.19 114.28 111.47 1a6v n THR 31 Ca 0.00 -0.15 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1a6v n THR 31 Cb 0.00 0.87 0.22 0.00 -2.10 0.00 0.00 70.33 69.32 1a6v n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a6v n SER 32 N -1.49 0.00 -0.00 3.42 7.64 -1.26 0.56 113.62 122.49 1a6v n SER 32 Ca 0.02 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1a6v n SER 32 Cb 0.28 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1a6v n SER 32 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1a6v n ASN 33 N -0.88 1.44 -0.43 6.43 6.94 -1.26 -4.85 115.26 122.64 1a6v n ASN 33 Ca 0.06 -0.36 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 1a6v n ASN 33 Cb 0.03 1.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 1a6v n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1a6v n TYR 34 N -1.16 0.00 -1.56 -2.53 4.01 0.19 -2.40 117.16 113.71 1a6v n TYR 34 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1a6v n TYR 34 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1a6v n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a6v n ALA 35 N 0.37 -0.47 -3.32 -0.72 0.00 -1.26 -4.05 120.51 111.07 1a6v n ALA 35 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 1a6v n ALA 35 Cb 0.00 -1.97 -0.16 0.00 0.00 0.00 0.00 19.45 17.32 1a6v n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a6v s ASN 36 N -0.75 1.92 -0.24 0.00 -0.87 -0.20 -0.47 114.94 114.32 1a6v s ASN 36 Ca 0.62 -0.32 0.02 0.00 -1.57 0.00 0.00 52.86 51.61 1a6v s ASN 36 Cb -0.63 -0.81 0.06 0.00 -0.02 0.00 0.00 41.25 39.85 1a6v s ASN 36 CO 0.58 0.07 -0.11 0.26 -2.57 0.00 0.00 177.10 175.33 1a6v s TRP 37 N 0.50 3.00 0.02 2.20 0.52 -0.65 0.60 118.94 125.12 1a6v s TRP 37 Ca -0.12 -2.11 0.04 0.00 0.02 0.00 0.00 56.10 53.93 1a6v s TRP 37 Cb -0.15 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1a6v s TRP 37 CO 0.04 -0.84 -0.09 0.08 0.02 0.00 0.00 176.95 176.16 1a6v s VAL 38 N 1.20 3.48 -0.00 4.03 1.01 -0.75 0.44 120.40 129.80 1a6v s VAL 38 Ca -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1a6v s VAL 38 Cb -0.19 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1a6v s VAL 38 CO -0.06 0.35 -0.14 -1.58 0.00 0.00 0.00 175.10 173.66 1a6v s GLN 39 N -1.53 2.34 -0.20 2.72 0.74 -1.07 -1.20 119.66 121.47 1a6v s GLN 39 Ca 0.17 -0.82 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1a6v s GLN 39 Cb -0.11 -2.32 0.04 0.00 1.10 0.00 0.00 33.01 31.71 1a6v s GLN 39 CO 0.08 0.58 -0.14 -2.00 -0.55 0.00 0.00 175.29 173.27 1a6v s GLU 40 N -1.17 2.39 0.26 1.67 2.12 0.57 -1.18 118.70 123.37 1a6v s GLU 40 Ca 0.14 -0.89 0.10 0.00 0.36 0.00 0.00 54.97 54.68 1a6v s GLU 40 Cb -0.11 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 1a6v s GLU 40 CO 0.04 -0.36 -0.08 0.15 -0.54 0.00 0.00 175.26 174.47 1a6v s LYS 41 N 1.32 2.07 -0.33 4.30 1.02 -1.11 -0.49 119.74 126.52 1a6v s LYS 41 Ca 0.00 -1.53 -0.43 0.00 0.02 0.00 0.00 55.97 54.04 1a6v s LYS 41 Cb -0.15 -2.03 -0.18 0.00 -0.52 0.00 0.00 37.83 34.95 1a6v s LYS 41 CO -0.09 0.36 1.62 -0.35 -0.92 0.00 0.00 175.35 175.96 1a6v n PRO 42 N -0.73 0.62 0.00 -1.68 -0.04 -1.26 -2.20 135.00 129.70 1a6v n PRO 42 Ca -0.06 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1a6v n PRO 42 Cb 0.59 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1a6v n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a6v n ASP 43 N 4.39 0.00 -3.87 3.54 9.92 -1.26 -4.62 116.55 124.65 1a6v n ASP 43 Ca 0.27 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.20 1a6v n ASP 43 Cb 0.05 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.55 1a6v n ASP 43 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1a6v n HIS 44 N -0.78 -1.70 -3.52 1.24 8.25 -1.08 -4.95 115.22 112.69 1a6v n HIS 44 Ca 0.00 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.49 1a6v n HIS 44 Cb 0.00 -3.34 -0.10 0.00 1.12 0.00 0.00 29.99 27.66 1a6v n HIS 44 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1a6v s LEU 45 N -6.86 4.94 -0.33 2.41 1.98 -0.94 -5.00 118.68 114.88 1a6v s LEU 45 Ca 0.34 -0.94 -0.11 0.00 -2.89 0.00 0.00 54.13 50.53 1a6v s LEU 45 Cb -0.14 -2.10 -0.00 0.00 0.66 0.00 0.00 46.19 44.60 1a6v s LEU 45 CO 0.90 -0.42 0.20 -0.36 -1.89 0.00 0.00 176.35 174.78 1a6v s PHE 46 N 1.63 3.21 -0.49 5.38 0.40 -1.25 -2.75 117.98 124.11 1a6v s PHE 46 Ca 0.04 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1a6v s PHE 46 Cb -0.19 -2.42 0.14 0.00 0.51 0.00 0.00 43.02 41.05 1a6v s PHE 46 CO 0.09 -0.45 0.26 0.95 0.70 0.00 0.00 175.22 176.76 1a6v s THR 47 N 1.65 1.95 0.29 0.64 -4.23 -0.32 -4.94 115.64 110.68 1a6v s THR 47 Ca 0.05 -2.96 -0.30 0.00 -1.18 0.00 0.00 61.69 57.30 1a6v s THR 47 Cb -0.18 -2.36 -0.12 0.00 1.34 0.00 0.00 72.50 71.19 1a6v s THR 47 CO 0.08 -0.87 1.55 0.61 -0.54 0.00 0.00 174.62 175.45 1a6v n GLY 48 N 3.27 1.20 0.05 3.99 0.00 -1.26 -2.59 105.19 109.86 1a6v n GLY 48 Ca 0.08 0.46 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 1a6v n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6v n LEU 49 N 2.05 2.77 -4.26 0.99 4.77 0.17 -4.69 117.00 118.80 1a6v n LEU 49 Ca 0.09 -0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1a6v n LEU 49 Cb 0.36 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1a6v n LEU 49 CO 0.64 0.65 -0.49 -0.63 -1.33 0.00 0.00 177.39 176.23 1a6v s ILE 50 N -2.22 1.52 0.18 -0.08 1.09 -0.58 -1.67 121.20 119.44 1a6v s ILE 50 Ca -0.14 -1.58 -0.23 0.00 -1.10 0.00 0.00 60.65 57.60 1a6v s ILE 50 Cb 0.04 -1.49 0.06 0.00 -1.06 0.00 0.00 42.46 40.01 1a6v s ILE 50 CO 0.26 -0.20 0.65 -0.83 -0.10 0.00 0.00 174.94 174.72 1a6v s GLY 51 N -2.09 -0.47 -1.67 6.18 0.00 0.15 -1.64 107.32 107.77 1a6v s GLY 51 Ca 0.06 0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.91 1a6v s GLY 51 CO 0.04 0.10 0.83 0.61 0.00 0.00 0.00 173.10 174.68 1a6v n GLY 52 N -0.40 -0.46 4.83 0.20 0.00 -1.11 0.03 105.19 108.28 1a6v n GLY 52 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1a6v n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6v n THR 53 N -4.44 0.00 -1.45 2.61 -1.04 0.38 -3.77 114.28 106.57 1a6v n THR 53 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1a6v n THR 53 Cb 0.50 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.01 1a6v n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1a6v n ASN 54 N 0.78 0.15 -4.75 8.00 0.23 -1.08 -3.48 115.26 115.11 1a6v n ASN 54 Ca 0.00 -1.59 -0.38 0.00 -0.53 0.00 0.00 54.58 52.08 1a6v n ASN 54 Cb 0.00 -0.11 -0.06 0.00 -2.08 0.00 0.00 39.78 37.53 1a6v n ASN 54 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1a6v s ASN 55 N -0.62 6.78 -0.76 0.53 0.02 0.10 -4.72 114.94 116.28 1a6v s ASN 55 Ca 0.01 0.93 -0.06 0.00 -1.02 0.00 0.00 52.86 52.72 1a6v s ASN 55 Cb 0.01 -2.30 0.20 0.00 0.02 0.00 0.00 41.25 39.17 1a6v s ASN 55 CO 0.00 0.08 0.63 -0.60 0.02 0.00 0.00 177.10 177.23 1a6v s ARG 56 N 0.14 3.10 -0.08 -0.60 3.52 -1.26 0.29 118.95 124.06 1a6v s ARG 56 Ca 0.27 -2.67 -0.09 0.00 -0.13 0.00 0.00 55.73 53.11 1a6v s ARG 56 Cb -0.16 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 1a6v s ARG 56 CO 0.13 -1.23 0.29 0.00 -0.81 0.00 0.00 175.30 173.68 1a6v n ALA 57 N 3.40 -0.37 -1.00 6.12 0.00 -0.67 -4.65 120.51 123.34 1a6v n ALA 57 Ca 0.13 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 1a6v n ALA 57 Cb 0.41 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1a6v n ALA 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a6v n PRO 58 N 0.70 0.00 0.00 0.00 -0.05 -1.26 -2.83 135.00 131.56 1a6v n PRO 58 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 1a6v n PRO 58 Cb -0.01 -0.82 0.00 0.00 -0.05 0.00 0.00 33.50 32.63 1a6v n PRO 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a6v n GLY 59 N 1.27 2.89 3.52 0.55 0.00 -1.26 -5.03 105.19 107.12 1a6v n GLY 59 Ca 0.13 -0.74 -0.62 0.00 0.00 0.00 0.00 46.02 44.78 1a6v n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a6v n VAL 60 N 0.00 0.00 -1.95 1.61 0.31 -1.13 -4.82 118.33 112.35 1a6v n VAL 60 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1a6v n VAL 60 Cb 0.00 -0.31 -0.02 0.00 -0.91 0.00 0.00 33.84 32.59 1a6v n VAL 60 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1a6v s PRO 61 N 1.88 4.23 0.00 5.55 0.02 -1.26 -4.85 135.00 140.56 1a6v s PRO 61 Ca 0.96 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.35 1a6v s PRO 61 Cb -1.37 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 30.05 1a6v s PRO 61 CO 0.70 -0.51 0.36 0.00 -0.33 0.00 0.00 177.00 177.22 1a6v n ALA 62 N 2.80 0.99 0.24 -1.55 0.00 -1.26 -1.86 120.51 119.87 1a6v n ALA 62 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1a6v n ALA 62 Cb 0.39 -0.67 0.50 0.00 0.00 0.00 0.00 19.45 19.68 1a6v n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6v h ARG 63 N 0.00 0.00 -5.89 0.00 3.08 -1.91 -3.42 114.38 106.24 1a6v h ARG 63 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1a6v h ARG 63 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 1a6v h ARG 63 CO 0.00 0.15 0.49 -0.06 -1.07 0.00 0.00 179.97 179.48 1a6v s PHE 64 N -3.62 3.36 -0.07 3.04 0.40 -0.78 -3.11 117.98 117.19 1a6v s PHE 64 Ca 0.01 1.23 -0.05 0.00 -0.60 0.00 0.00 56.93 57.53 1a6v s PHE 64 Cb 0.10 -3.07 0.03 0.00 0.51 0.00 0.00 43.02 40.59 1a6v s PHE 64 CO 0.61 -0.35 0.18 0.45 0.70 0.00 0.00 175.22 176.81 1a6v s SER 65 N 1.25 -0.17 0.09 1.36 0.15 -0.76 -4.96 113.70 110.65 1a6v s SER 65 Ca 0.38 0.37 -0.19 0.00 0.70 0.00 0.00 55.95 57.20 1a6v s SER 65 Cb -0.16 0.30 -0.07 0.00 -1.71 0.00 0.00 66.02 64.38 1a6v s SER 65 CO 0.09 -0.12 0.58 -0.83 1.20 0.00 0.00 173.24 174.16 1a6v s GLY 66 N 0.79 2.66 0.28 9.45 0.00 -1.26 -1.36 107.32 117.88 1a6v s GLY 66 Ca -0.06 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.62 1a6v s GLY 66 CO -0.04 0.45 0.44 -0.56 0.00 0.00 0.00 173.10 173.39 1a6v s SER 67 N -1.18 0.26 -0.14 1.64 0.01 -0.44 -4.62 113.70 109.23 1a6v s SER 67 Ca 0.30 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1a6v s SER 67 Cb -0.19 0.59 0.02 0.00 0.21 0.00 0.00 66.02 66.65 1a6v s SER 67 CO 0.19 -1.17 -0.12 -0.76 0.41 0.00 0.00 173.24 171.79 1a6v s LEU 68 N -3.11 1.57 -0.05 2.44 1.43 -1.26 -0.31 118.68 119.39 1a6v s LEU 68 Ca 0.27 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1a6v s LEU 68 Cb 0.00 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1a6v s LEU 68 CO 0.13 -0.07 -0.05 -0.63 0.23 0.00 0.00 176.35 175.96 1a6v s ILE 69 N 1.54 0.59 0.00 -0.59 1.01 0.48 -4.90 121.20 119.34 1a6v s ILE 69 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1a6v s ILE 69 Cb -0.13 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1a6v s ILE 69 CO -0.10 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1a6v n GLY 70 N 4.09 3.89 1.74 6.18 0.00 -1.26 0.12 105.19 119.95 1a6v n GLY 70 Ca -0.24 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1a6v n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a6v n ASN 71 N 6.67 4.44 -4.26 1.61 6.94 -1.26 -4.84 115.26 124.55 1a6v n ASN 71 Ca 0.00 -3.78 -0.20 0.00 -0.02 0.00 0.00 54.58 50.58 1a6v n ASN 71 Cb 0.00 -0.45 -0.11 0.00 -2.36 0.00 0.00 39.78 36.86 1a6v n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a6v s LYS 72 N -3.53 1.08 -0.12 -3.83 1.02 0.31 -3.04 119.74 111.63 1a6v s LYS 72 Ca 0.50 -1.25 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 1a6v s LYS 72 Cb 0.41 -1.06 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 1a6v s LYS 72 CO 0.01 0.21 -0.06 0.00 -0.92 0.00 0.00 175.35 174.60 1a6v s ALA 73 N -1.94 2.96 0.37 5.17 0.00 -0.82 0.18 121.76 127.68 1a6v s ALA 73 Ca 0.09 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.26 1a6v s ALA 73 Cb -0.06 -1.41 -0.07 0.00 0.00 0.00 0.00 23.12 21.58 1a6v s ALA 73 CO 0.04 0.35 0.03 0.00 0.00 0.00 0.00 175.76 176.17 1a6v s ALA 74 N -0.06 2.80 -0.08 0.00 0.00 0.58 -1.90 121.76 123.10 1a6v s ALA 74 Ca 0.01 -2.19 -0.02 0.00 0.00 0.00 0.00 51.96 49.76 1a6v s ALA 74 Cb -0.13 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1a6v s ALA 74 CO 0.03 -0.19 0.04 -1.17 0.00 0.00 0.00 175.76 174.47 1a6v s LEU 75 N -3.61 0.39 -0.07 0.00 2.96 -0.92 -1.32 118.68 116.11 1a6v s LEU 75 Ca 0.35 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1a6v s LEU 75 Cb 0.09 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 1a6v s LEU 75 CO 0.17 -0.25 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.90 1a6v s THR 76 N 2.08 2.83 -0.27 3.68 2.01 -0.47 -1.18 115.64 124.33 1a6v s THR 76 Ca 0.04 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1a6v s THR 76 Cb -0.13 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1a6v s THR 76 CO -0.05 0.57 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1a6v s ILE 77 N -0.41 2.95 -2.24 1.82 -1.09 0.13 -1.83 121.20 120.52 1a6v s ILE 77 Ca 0.04 -1.13 0.24 0.00 -2.23 0.00 0.00 60.65 57.58 1a6v s ILE 77 Cb -0.12 -2.56 0.57 0.00 -1.58 0.00 0.00 42.46 38.77 1a6v s ILE 77 CO 0.02 0.10 1.75 0.41 -1.23 0.00 0.00 174.94 175.99 1a6v n THR 78 N 4.66 0.07 -2.15 2.92 -1.04 -1.18 0.84 114.28 118.40 1a6v n THR 78 Ca -0.15 -0.19 -0.03 0.00 -2.04 0.00 0.00 64.05 61.64 1a6v n THR 78 Cb 0.46 0.14 0.01 0.00 -1.82 0.00 0.00 70.33 69.12 1a6v n THR 78 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a6v n GLY 79 N 1.06 0.32 1.34 3.41 0.00 -1.24 -4.22 105.19 105.86 1a6v n GLY 79 Ca 0.18 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1a6v n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6v n ALA 80 N -0.39 -1.76 -2.78 4.61 0.00 -1.05 -3.22 120.51 115.92 1a6v n ALA 80 Ca -0.13 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1a6v n ALA 80 Cb 0.59 -0.63 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 1a6v n ALA 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1a6v s GLN 81 N -0.40 0.39 0.61 0.00 2.00 -1.26 0.71 119.66 121.70 1a6v s GLN 81 Ca 0.25 -0.74 0.01 0.00 -2.00 0.00 0.00 55.36 52.88 1a6v s GLN 81 Cb -0.36 0.14 0.04 0.00 0.80 0.00 0.00 33.01 33.63 1a6v s GLN 81 CO 0.22 -0.07 0.98 1.79 -0.50 0.00 0.00 175.29 177.72 1a6v h THR 82 N 4.28 0.00 0.03 -0.34 1.35 -1.93 0.30 112.91 116.60 1a6v h THR 82 Ca -0.32 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.26 1a6v h THR 82 Cb 1.19 0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1a6v h THR 82 CO 0.47 0.00 -1.48 -0.33 -0.25 0.00 0.00 175.52 173.92 1a6v h GLU 83 N 0.00 0.06 0.00 4.72 5.08 -1.96 -3.27 114.58 119.20 1a6v h GLU 83 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1a6v h GLU 83 Cb 1.89 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1a6v h GLU 83 CO 0.00 0.79 0.00 -0.25 -1.00 0.00 0.00 179.01 178.55 1a6v n ASP 84 N -3.23 0.00 -4.65 1.42 8.00 0.09 -4.63 116.55 113.55 1a6v n ASP 84 Ca -0.13 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1a6v n ASP 84 Cb 1.02 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1a6v n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1a6v s GLU 85 N -2.82 4.02 0.00 -1.24 2.12 -1.24 -4.84 118.70 114.70 1a6v s GLU 85 Ca 0.10 2.35 0.00 0.00 0.36 0.00 0.00 54.97 57.78 1a6v s GLU 85 Cb 0.09 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1a6v s GLU 85 CO 0.24 -1.08 0.00 0.00 -0.54 0.00 0.00 175.26 173.88 1a6v n ALA 86 N 7.94 0.00 -2.81 6.30 0.00 -1.12 -4.96 120.51 125.87 1a6v n ALA 86 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1a6v n ALA 86 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 1a6v n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6v s ILE 87 N -3.00 4.87 -0.21 0.00 1.01 0.35 -1.54 121.20 122.68 1a6v s ILE 87 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 1a6v s ILE 87 Cb 0.00 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1a6v s ILE 87 CO 0.00 0.46 -0.05 -0.31 0.00 0.00 0.00 174.94 175.04 1a6v s TYR 88 N 0.33 2.95 0.12 3.97 1.51 0.35 -0.32 117.35 126.26 1a6v s TYR 88 Ca 0.04 -0.88 0.04 0.00 -1.01 0.00 0.00 57.07 55.26 1a6v s TYR 88 Cb -0.12 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1a6v s TYR 88 CO -0.00 -0.48 0.12 -0.06 -1.11 0.00 0.00 175.55 174.02 1a6v s PHE 89 N 1.29 3.21 0.05 2.71 0.08 -0.34 -1.34 117.98 123.66 1a6v s PHE 89 Ca 0.04 0.05 0.04 0.00 0.12 0.00 0.00 56.93 57.18 1a6v s PHE 89 Cb -0.14 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1a6v s PHE 89 CO -0.02 0.52 -0.11 0.00 -0.10 0.00 0.00 175.22 175.51 1a6v s ALA 91 N -1.24 0.07 0.24 0.00 0.00 0.20 -0.10 121.76 120.93 1a6v s ALA 91 Ca -0.05 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1a6v s ALA 91 Cb -0.09 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1a6v s ALA 91 CO 0.01 -0.11 0.00 -0.51 0.00 0.00 0.00 175.76 175.15 1a6v s LEU 92 N -0.99 2.18 -0.07 0.00 1.43 0.20 -1.04 118.68 120.39 1a6v s LEU 92 Ca -0.11 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.79 1a6v s LEU 92 Cb -0.07 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.87 1a6v s LEU 92 CO -0.01 -0.52 -0.19 0.86 0.23 0.00 0.00 176.35 176.72 1a6v s TRP 93 N -3.40 1.98 -0.51 0.29 -0.11 -1.01 0.32 118.94 116.51 1a6v s TRP 93 Ca 0.29 -0.69 0.07 0.00 1.22 0.00 0.00 56.10 56.99 1a6v s TRP 93 Cb 0.06 -1.35 0.28 0.00 -1.50 0.00 0.00 33.47 30.96 1a6v s TRP 93 CO 0.10 -0.27 0.70 0.66 -4.62 0.00 0.00 176.95 173.51 1a6v n TYR 94 N 3.40 1.88 0.00 5.86 4.02 0.49 -4.30 117.16 128.50 1a6v n TYR 94 Ca -0.20 -3.89 0.00 0.00 -0.01 0.00 0.00 57.90 53.81 1a6v n TYR 94 Cb 0.52 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1a6v n TYR 94 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1a6v n SER 95 N 0.78 0.00 0.00 7.72 3.41 -1.26 -2.65 113.62 121.62 1a6v n SER 95 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1a6v n SER 95 Cb 0.48 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1a6v n SER 95 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a6v n ASN 96 N 0.00 4.20 -3.85 4.04 3.02 -1.26 -5.09 115.26 116.32 1a6v n ASN 96 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1a6v n ASN 96 Cb 0.00 0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 1a6v n ASN 96 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1a6v s HIS 97 N -1.89 0.09 0.18 3.10 -3.43 -1.09 -5.14 115.29 107.11 1a6v s HIS 97 Ca 0.00 -0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 53.57 1a6v s HIS 97 Cb 0.00 -0.04 -0.08 0.00 -1.43 0.00 0.00 32.58 31.04 1a6v s HIS 97 CO 0.00 -0.47 1.05 -1.58 -2.00 0.00 0.00 174.74 171.73 1a6v s TRP 98 N -3.06 3.70 -0.05 0.38 0.52 -1.26 -0.38 118.94 118.78 1a6v s TRP 98 Ca -0.01 1.70 0.03 0.00 0.02 0.00 0.00 56.10 57.84 1a6v s TRP 98 Cb 0.01 -3.19 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 1a6v s TRP 98 CO -0.07 -0.27 -0.15 0.14 0.02 0.00 0.00 176.95 176.62 1a6v s VAL 99 N -0.38 1.30 -0.02 4.03 -7.23 0.15 -4.79 120.40 113.47 1a6v s VAL 99 Ca 0.47 -0.62 0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1a6v s VAL 99 Cb -0.28 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 1a6v s VAL 99 CO 0.34 0.38 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.91 1a6v s PHE 100 N 0.26 2.14 0.84 2.82 0.08 -1.26 0.59 117.98 123.45 1a6v s PHE 100 Ca -0.08 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 1a6v s PHE 100 Cb -0.13 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 41.04 1a6v s PHE 100 CO 0.03 -0.04 1.10 0.20 -0.10 0.00 0.00 175.22 176.40 1a6v s GLY 101 N -0.54 1.62 0.39 4.36 0.00 0.85 -4.69 107.32 109.31 1a6v s GLY 101 Ca 0.09 -0.14 0.21 0.00 0.00 0.00 0.00 44.72 44.87 1a6v s GLY 101 CO -0.01 0.31 1.70 -1.33 0.00 0.00 0.00 173.10 173.77 1a6v h GLY 102 N -1.28 0.00 0.00 0.20 0.00 -1.88 -3.43 103.07 96.67 1a6v h GLY 102 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1a6v h GLY 102 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1a6v n GLY 103 N 0.47 0.73 3.49 4.60 0.00 -1.26 -5.02 105.19 108.20 1a6v n GLY 103 Ca 0.01 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1a6v n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6v s THR 104 N -2.10 3.78 -0.40 2.61 2.01 -0.45 -4.48 115.64 116.61 1a6v s THR 104 Ca 0.00 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1a6v s THR 104 Cb 0.00 -2.63 0.04 0.00 0.01 0.00 0.00 72.50 69.92 1a6v s THR 104 CO 0.00 0.51 0.24 -0.75 -0.69 0.00 0.00 174.62 173.93 1a6v s LYS 105 N 0.21 2.79 -0.17 4.92 2.20 -0.76 -0.49 119.74 128.44 1a6v s LYS 105 Ca -0.03 -1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 54.22 1a6v s LYS 105 Cb -0.14 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1a6v s LYS 105 CO 0.03 -0.79 0.46 -1.17 -0.36 0.00 0.00 175.35 173.52 1a6v s LEU 106 N 1.54 4.20 -0.21 5.43 2.96 -0.59 -2.28 118.68 129.72 1a6v s LEU 106 Ca 0.02 0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 54.55 1a6v s LEU 106 Cb -0.20 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 1a6v s LEU 106 CO 0.06 -0.07 0.02 -0.89 -1.32 0.00 0.00 176.35 174.14 1a6v s THR 107 N 1.12 4.02 -0.22 3.68 2.01 -0.48 -2.78 115.64 122.99 1a6v s THR 107 Ca 0.23 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 1a6v s THR 107 Cb -0.15 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1a6v s THR 107 CO 0.09 0.41 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 1a6v s VAL 108 N 1.16 3.72 -2.52 3.82 1.01 -1.26 -0.13 120.40 126.19 1a6v s VAL 108 Ca 0.03 -0.38 0.20 0.00 0.00 0.00 0.00 61.98 61.83 1a6v s VAL 108 Cb -0.14 -2.70 0.16 0.00 0.00 0.00 0.00 36.38 33.69 1a6v s VAL 108 CO 0.02 0.40 1.14 -0.11 0.00 0.00 0.00 175.10 176.55