#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n LYS 2 N 0.00 2.58 -0.53 0.03 -0.00 -1.26 -5.01 118.16 113.98 1vs6 n LYS 2 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 1vs6 n LYS 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 1vs6 n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs6 n ALA 3 N -3.00 -1.36 -1.51 0.58 0.00 -1.26 -4.48 120.51 109.48 1vs6 n ALA 3 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1vs6 n ALA 3 Cb 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 1vs6 n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vs6 n LYS 4 N -2.54 0.42 0.00 0.00 4.81 -1.26 -4.74 118.16 114.86 1vs6 n LYS 4 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1vs6 n LYS 4 Cb 0.24 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1vs6 n LYS 4 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1vs6 n GLU 5 N 8.65 0.00 -1.18 1.64 4.07 -1.26 -4.93 120.64 127.63 1vs6 n GLU 5 Ca 0.54 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 57.30 1vs6 n GLU 5 Cb 0.22 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.58 1vs6 n GLU 5 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1vs6 n LEU 6 N 0.00 6.90 -0.88 4.31 4.77 -1.26 -4.74 117.00 126.10 1vs6 n LEU 6 Ca 0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 1vs6 n LEU 6 Cb 0.00 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1vs6 n LEU 6 CO 0.00 1.27 0.22 0.54 -1.33 0.00 0.00 177.39 178.09 1vs6 n ARG 7 N 4.45 0.50 0.00 3.23 5.12 -1.26 -1.89 116.66 126.81 1vs6 n ARG 7 Ca 0.62 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.54 1vs6 n ARG 7 Cb 0.24 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1vs6 n ARG 7 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1vs6 n GLU 8 N 0.63 0.00 -0.55 5.56 -0.00 -1.26 -5.00 120.64 120.02 1vs6 n GLU 8 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.75 1vs6 n GLU 8 Cb 0.22 -0.32 -0.11 0.00 -0.00 0.00 0.00 31.44 31.22 1vs6 n GLU 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1vs6 n LYS 9 N 0.00 0.00 -0.10 3.44 3.00 -0.79 -4.60 118.16 119.10 1vs6 n LYS 9 Ca 0.00 -0.92 0.17 0.00 -0.00 0.00 0.00 58.31 57.56 1vs6 n LYS 9 Cb 0.18 -2.39 0.57 0.00 0.00 0.00 0.00 35.03 33.39 1vs6 n LYS 9 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1vs6 h SER 10 N 9.76 0.26 -0.10 3.14 0.02 -1.94 0.26 113.55 124.96 1vs6 h SER 10 Ca 0.24 0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.98 1vs6 h SER 10 Cb 0.69 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.11 1vs6 h SER 10 CO 1.91 0.14 -0.32 0.55 -1.14 0.00 0.00 176.83 177.97 1vs6 n VAL 11 N -4.44 3.03 -1.08 2.27 3.14 -1.26 -4.93 118.33 115.05 1vs6 n VAL 11 Ca 0.13 -1.63 -0.36 0.00 -2.96 0.00 0.00 64.34 59.52 1vs6 n VAL 11 Cb 0.55 -1.96 0.06 0.00 -1.06 0.00 0.00 33.84 31.42 1vs6 n VAL 11 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1vs6 n GLU 12 N 2.35 0.03 -0.38 1.45 -0.00 0.92 -4.96 120.64 120.05 1vs6 n GLU 12 Ca 0.43 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.63 1vs6 n GLU 12 Cb 0.89 -1.42 0.00 0.00 -0.00 0.00 0.00 31.44 30.91 1vs6 n GLU 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1vs6 n GLU 13 N 0.53 0.00 0.08 3.44 -0.58 -1.26 -4.93 120.64 117.93 1vs6 n GLU 13 Ca 0.05 -0.21 0.04 0.00 -0.42 0.00 0.00 57.16 56.62 1vs6 n GLU 13 Cb 0.52 -0.12 0.19 0.00 -0.57 0.00 0.00 31.44 31.46 1vs6 n GLU 13 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1vs6 n LEU 14 N 0.00 0.18 -4.59 -4.62 -0.00 -1.26 -4.69 117.00 102.02 1vs6 n LEU 14 Ca 0.00 0.44 -0.33 0.00 -0.00 0.00 0.00 56.01 56.12 1vs6 n LEU 14 Cb 0.54 -0.42 0.13 0.00 -0.00 0.00 0.00 43.42 43.67 1vs6 n LEU 14 CO 0.00 -0.50 0.44 0.59 -0.00 0.00 0.00 177.39 177.92 1vs6 n ASN 15 N -1.70 -0.19 -1.52 1.45 3.02 -1.26 -2.71 115.26 112.35 1vs6 n ASN 15 Ca -0.00 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1vs6 n ASN 15 Cb 0.25 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1vs6 n ASN 15 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1vs6 n THR 16 N -3.46 0.00 0.25 3.41 5.66 -1.26 -4.65 114.28 114.23 1vs6 n THR 16 Ca 0.11 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.25 1vs6 n THR 16 Cb 0.51 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.79 1vs6 n THR 16 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1vs6 h GLU 17 N 0.00 0.00 0.00 1.09 4.57 -1.80 -3.10 114.58 115.35 1vs6 h GLU 17 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vs6 h GLU 17 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1vs6 h GLU 17 CO 0.00 0.05 0.00 1.47 -1.18 0.00 0.00 179.01 179.35 1vs6 n LEU 18 N -3.15 2.03 -0.29 1.64 -0.00 -1.26 -4.00 117.00 111.97 1vs6 n LEU 18 Ca 0.01 0.07 0.12 0.00 -0.00 0.00 0.00 56.01 56.21 1vs6 n LEU 18 Cb 0.40 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.08 1vs6 n LEU 18 CO 0.30 0.00 0.91 -0.07 -0.00 0.00 0.00 177.39 178.53 1vs6 h LEU 19 N 0.00 -0.10 -0.24 1.47 4.07 -1.98 0.88 115.31 119.41 1vs6 h LEU 19 Ca 0.00 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1vs6 h LEU 19 Cb 0.00 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1vs6 h LEU 19 CO 0.00 -0.18 0.13 -3.20 -1.08 0.00 0.00 178.44 174.11 1vs6 n ASN 20 N -5.27 0.10 0.00 -0.43 5.15 -1.17 0.81 115.26 114.45 1vs6 n ASN 20 Ca 0.20 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1vs6 n ASN 20 Cb 0.65 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 1vs6 n ASN 20 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1vs6 n LEU 21 N -1.55 1.01 0.00 1.20 7.94 0.29 -4.73 117.00 121.15 1vs6 n LEU 21 Ca -0.00 -1.01 0.04 0.00 -1.11 0.00 0.00 56.01 53.93 1vs6 n LEU 21 Cb 0.13 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.30 1vs6 n LEU 21 CO 0.02 0.25 0.46 -0.11 -1.11 0.00 0.00 177.39 176.90 1vs6 n LEU 22 N -0.22 0.00 -0.25 -1.96 0.00 0.24 -3.90 117.00 110.91 1vs6 n LEU 22 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 56.01 56.07 1vs6 n LEU 22 Cb 0.30 -0.03 0.09 0.00 0.00 0.00 0.00 43.42 43.79 1vs6 n LEU 22 CO 0.00 -0.02 0.44 -1.14 0.00 0.00 0.00 177.39 176.67 1vs6 n ARG 23 N -1.03 -0.07 0.00 1.96 3.00 -1.26 -0.74 116.66 118.52 1vs6 n ARG 23 Ca 0.05 1.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.96 1vs6 n ARG 23 Cb 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 30.91 1vs6 n ARG 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1vs6 n GLU 24 N -5.10 0.00 -0.13 -0.14 0.00 -1.25 0.10 120.64 114.12 1vs6 n GLU 24 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.23 1vs6 n GLU 24 Cb 0.33 -0.38 -0.03 0.00 0.00 0.00 0.00 31.44 31.37 1vs6 n GLU 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1vs6 n GLN 25 N 0.00 -0.14 -0.04 3.44 7.27 -1.14 0.20 117.38 126.97 1vs6 n GLN 25 Ca 0.00 1.06 -0.02 0.00 0.07 0.00 0.00 57.00 58.11 1vs6 n GLN 25 Cb 0.00 -1.57 -0.02 0.00 2.41 0.00 0.00 30.24 31.06 1vs6 n GLN 25 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1vs6 h PHE 26 N 0.00 -0.29 0.00 3.69 3.57 -1.10 -3.35 116.94 119.46 1vs6 h PHE 26 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1vs6 h PHE 26 Cb 0.13 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1vs6 h PHE 26 CO -0.87 -0.07 0.00 0.09 -2.23 0.00 0.00 178.31 175.23 1vs6 n ASN 27 N -3.24 0.00 0.00 0.41 4.13 -0.26 -4.68 115.26 111.62 1vs6 n ASN 27 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1vs6 n ASN 27 Cb 0.05 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1vs6 n ASN 27 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1vs6 n LEU 28 N 0.00 0.00 0.11 3.41 4.77 0.29 0.14 117.00 125.72 1vs6 n LEU 28 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1vs6 n LEU 28 Cb 0.00 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.37 1vs6 n LEU 28 CO 0.00 0.00 0.71 -1.14 -1.33 0.00 0.00 177.39 175.63 1vs6 n ARG 29 N -3.99 0.07 -0.20 3.23 0.63 0.55 -1.87 116.66 115.08 1vs6 n ARG 29 Ca 0.00 0.51 -0.09 0.00 -0.92 0.00 0.00 57.85 57.35 1vs6 n ARG 29 Cb 0.00 -1.93 -0.07 0.00 0.45 0.00 0.00 32.46 30.91 1vs6 n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vs6 h MET 30 N 0.00 -0.14 -1.39 -0.14 -0.00 0.98 -3.42 114.93 110.82 1vs6 h MET 30 Ca 0.00 0.01 0.08 0.00 -0.00 0.00 0.00 59.70 59.79 1vs6 h MET 30 Cb 0.41 0.03 -0.21 0.00 -0.00 0.00 0.00 31.60 31.84 1vs6 h MET 30 CO 0.00 -0.09 -0.23 -0.65 -0.00 0.00 0.00 176.91 175.94 1vs6 s GLN 31 N -4.84 0.56 0.00 -0.10 1.11 -1.15 -5.03 119.66 110.22 1vs6 s GLN 31 Ca -0.09 1.15 0.00 0.00 0.01 0.00 0.00 55.36 56.43 1vs6 s GLN 31 Cb 0.07 0.64 0.00 0.00 -1.01 0.00 0.00 33.01 32.71 1vs6 s GLN 31 CO 0.44 -0.47 0.00 0.00 0.01 0.00 0.00 175.29 175.27 1vs6 n ALA 32 N 5.43 0.00 0.16 6.09 0.00 -1.26 -4.62 120.51 126.31 1vs6 n ALA 32 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1vs6 n ALA 32 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1vs6 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 33 N 0.00 0.00 -0.99 0.00 0.00 -1.25 -3.41 120.51 114.87 1vs6 n ALA 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1vs6 n ALA 33 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1vs6 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vs6 n SER 34 N -1.62 5.89 -0.54 0.00 2.88 -0.78 -4.79 113.62 114.66 1vs6 n SER 34 Ca 0.00 -2.42 0.07 0.00 -1.33 0.00 0.00 58.87 55.19 1vs6 n SER 34 Cb 0.66 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.77 1vs6 n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vs6 n GLY 35 N 3.02 -2.82 0.00 0.46 0.00 -1.22 -4.22 105.19 100.41 1vs6 n GLY 35 Ca 0.51 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1vs6 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLN 36 N -2.92 0.00 0.03 1.61 -0.00 -1.26 -4.71 117.38 110.13 1vs6 n GLN 36 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1vs6 n GLN 36 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.50 1vs6 n GLN 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vs6 n LEU 37 N 0.00 -0.15 -0.06 2.61 4.77 -1.26 -4.84 117.00 118.07 1vs6 n LEU 37 Ca 0.00 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1vs6 n LEU 37 Cb 0.00 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1vs6 n LEU 37 CO 0.00 -0.52 0.52 0.06 -1.33 0.00 0.00 177.39 176.12 1vs6 h GLN 38 N 0.00 0.53 -0.84 3.23 -0.00 -2.03 -3.41 115.11 112.59 1vs6 h GLN 38 Ca 0.00 -0.32 -0.33 0.00 -0.00 0.00 0.00 58.65 57.99 1vs6 h GLN 38 Cb 0.00 0.03 -0.23 0.00 -0.00 0.00 0.00 27.48 27.28 1vs6 h GLN 38 CO 0.00 0.93 -0.70 1.04 -0.00 0.00 0.00 178.83 180.09 1vs6 n GLN 39 N -4.35 0.70 0.00 0.06 6.02 -1.26 -5.10 117.38 113.44 1vs6 n GLN 39 Ca -0.06 -2.29 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 1vs6 n GLN 39 Cb 0.47 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1vs6 n GLN 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1vs6 n SER 40 N 1.79 0.00 -4.63 1.08 2.88 -1.26 -4.47 113.62 109.01 1vs6 n SER 40 Ca 0.15 0.00 -0.59 0.00 -1.33 0.00 0.00 58.87 57.10 1vs6 n SER 40 Cb 0.58 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1vs6 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1vs6 n HIS 41 N 0.00 1.47 0.01 0.66 8.25 -1.26 -4.55 115.22 119.79 1vs6 n HIS 41 Ca 0.00 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1vs6 n HIS 41 Cb 0.00 -2.28 0.00 0.00 1.12 0.00 0.00 29.99 28.83 1vs6 n HIS 41 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vs6 n LEU 42 N 3.27 0.05 -0.14 2.41 4.32 -1.26 -4.68 117.00 120.98 1vs6 n LEU 42 Ca 0.23 0.02 -0.04 0.00 -0.02 0.00 0.00 56.01 56.20 1vs6 n LEU 42 Cb 0.09 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 1vs6 n LEU 42 CO 0.72 -0.19 0.23 0.18 -1.22 0.00 0.00 177.39 177.12 1vs6 n LEU 43 N -2.90 -0.35 0.16 2.23 4.77 -1.26 0.68 117.00 120.34 1vs6 n LEU 43 Ca 0.00 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 56.83 1vs6 n LEU 43 Cb 0.33 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1vs6 n LEU 43 CO 0.00 -0.55 0.48 0.50 -1.33 0.00 0.00 177.39 176.49 1vs6 h LYS 44 N 0.00 0.00 0.00 3.23 3.11 -1.90 0.99 116.57 122.00 1vs6 h LYS 44 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1vs6 h LYS 44 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1vs6 h LYS 44 CO -0.31 0.00 -0.24 1.04 -2.81 0.00 0.00 179.45 177.13 1vs6 n GLN 45 N -2.87 0.00 0.00 1.90 3.00 0.12 -4.72 117.38 114.81 1vs6 n GLN 45 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1vs6 n GLN 45 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.27 1vs6 n GLN 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1vs6 n VAL 46 N -1.51 0.00 0.73 5.09 3.14 0.22 -4.95 118.33 121.05 1vs6 n VAL 46 Ca 0.06 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.45 1vs6 n VAL 46 Cb 0.34 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.18 1vs6 n VAL 46 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1vs6 n ARG 47 N -2.06 0.36 0.00 1.45 0.63 -0.90 -1.81 116.66 114.33 1vs6 n ARG 47 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 1vs6 n ARG 47 Cb 0.00 -1.09 0.55 0.00 0.45 0.00 0.00 32.46 32.38 1vs6 n ARG 47 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1vs6 n ARG 48 N -0.59 0.41 0.00 -0.14 1.85 0.34 -3.78 116.66 114.76 1vs6 n ARG 48 Ca 0.01 -0.14 0.03 0.00 -1.00 0.00 0.00 57.85 56.76 1vs6 n ARG 48 Cb 0.01 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.12 1vs6 n ARG 48 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1vs6 n ASP 49 N -1.17 0.00 0.29 2.89 5.68 -0.75 -3.16 116.55 120.32 1vs6 n ASP 49 Ca 0.11 -0.26 0.15 0.00 -0.50 0.00 0.00 54.79 54.29 1vs6 n ASP 49 Cb 0.30 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.06 1vs6 n ASP 49 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1vs6 h VAL 50 N 0.00 0.00 0.35 2.12 -1.51 -1.86 -1.46 116.25 113.89 1vs6 h VAL 50 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1vs6 h VAL 50 Cb 0.00 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 1vs6 h VAL 50 CO 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 177.57 176.17 1vs6 h ALA 51 N 1.46 -0.51 -0.81 5.19 0.00 -1.91 -2.96 119.26 119.73 1vs6 h ALA 51 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1vs6 h ALA 51 Cb 0.50 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 1vs6 h ALA 51 CO 0.00 -0.47 -0.37 0.54 0.00 0.00 0.00 179.25 178.95 1vs6 n ARG 52 N -4.80 -0.25 0.30 0.00 1.74 -0.55 0.11 116.66 113.21 1vs6 n ARG 52 Ca -0.06 1.24 -0.12 0.00 -0.77 0.00 0.00 57.85 58.14 1vs6 n ARG 52 Cb 0.18 -1.83 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 1vs6 n ARG 52 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1vs6 h VAL 53 N 0.00 0.00 -0.18 1.55 -1.51 -1.67 0.95 116.25 115.39 1vs6 h VAL 53 Ca 0.23 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.75 1vs6 h VAL 53 Cb 0.43 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.59 1vs6 h VAL 53 CO -0.79 0.00 0.30 0.50 -1.23 0.00 0.00 177.57 176.35 1vs6 h LYS 54 N -0.78 0.00 0.16 5.19 1.63 -1.14 -1.13 116.57 120.50 1vs6 h LYS 54 Ca -0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1vs6 h LYS 54 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1vs6 h LYS 54 CO 0.10 0.00 -0.08 1.15 -3.45 0.00 0.00 179.45 177.18 1vs6 h THR 55 N 0.00 0.74 -0.21 1.00 2.02 0.13 -2.74 112.91 113.85 1vs6 h THR 55 Ca 0.09 -1.15 0.05 0.00 0.77 0.00 0.00 66.41 66.17 1vs6 h THR 55 Cb 0.68 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 1vs6 h THR 55 CO -0.00 0.20 -0.15 0.25 0.37 0.00 0.00 175.52 176.19 1vs6 h LEU 56 N -0.92 -0.49 -1.19 2.58 5.85 0.35 0.19 115.31 121.68 1vs6 h LEU 56 Ca -0.02 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.96 1vs6 h LEU 56 Cb 0.50 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1vs6 h LEU 56 CO 0.04 -0.19 0.60 0.25 -0.34 0.00 0.00 178.44 178.79 1vs6 h LEU 57 N -0.15 0.71 -0.89 2.25 5.85 -1.42 0.62 115.31 122.29 1vs6 h LEU 57 Ca 0.12 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1vs6 h LEU 57 Cb 0.33 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1vs6 h LEU 57 CO -0.30 0.33 -0.30 -1.13 -0.34 0.00 0.00 178.44 176.69 1vs6 h ASN 58 N 0.74 0.47 0.96 1.25 -0.73 -0.59 -2.28 115.58 115.41 1vs6 h ASN 58 Ca 0.49 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.45 1vs6 h ASN 58 Cb 0.78 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 1vs6 h ASN 58 CO -0.26 0.76 -0.19 -0.33 -0.37 0.00 0.00 177.43 177.04 1vs6 h GLU 59 N 0.40 0.00 -1.87 6.67 3.07 0.29 -3.21 114.58 119.94 1vs6 h GLU 59 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1vs6 h GLU 59 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1vs6 h GLU 59 CO 0.06 0.19 0.00 1.63 -1.40 0.00 0.00 179.01 179.48 1vs6 n LYS 60 N -3.34 0.60 0.15 2.33 4.76 0.20 -3.92 118.16 118.94 1vs6 n LYS 60 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1vs6 n LYS 60 Cb 0.41 -1.20 0.20 0.00 -1.84 0.00 0.00 35.03 32.60 1vs6 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs6 h ALA 61 N 2.15 0.90 -2.40 7.82 0.00 -1.75 -3.34 119.26 122.64 1vs6 h ALA 61 Ca 0.00 -0.51 -0.78 0.00 0.00 0.00 0.00 54.91 53.62 1vs6 h ALA 61 Cb 0.60 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.01 1vs6 h ALA 61 CO 0.00 0.69 0.43 0.41 0.00 0.00 0.00 179.25 180.78 1vs6 n GLY 62 N 0.41 4.51 0.21 0.00 0.00 -1.25 -5.21 105.19 103.85 1vs6 n GLY 62 Ca -0.00 -2.62 0.03 0.00 0.00 0.00 0.00 46.02 43.42 1vs6 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32