#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlp h HIS 5 N 0.00 0.37 -2.56 5.64 2.76 -2.02 -3.49 115.15 115.86 2vlp h HIS 5 Ca 0.00 -0.27 -0.07 0.00 -2.20 0.00 0.00 60.37 57.83 2vlp h HIS 5 Cb 0.00 -0.01 -0.18 0.00 1.55 0.00 0.00 27.41 28.77 2vlp h HIS 5 CO 0.00 1.39 0.04 0.45 -1.30 0.00 0.00 177.93 178.51 2vlp s SER 6 N -6.83 -0.47 0.57 3.26 0.15 -1.26 -5.00 113.70 104.12 2vlp s SER 6 Ca -0.11 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.15 2vlp s SER 6 Cb 0.07 0.48 1.68 0.00 -1.71 0.00 0.00 66.02 66.54 2vlp s SER 6 CO 0.83 -0.64 2.22 -0.29 1.20 0.00 0.00 173.24 176.55 2vlp h ILE 7 N 3.02 0.63 0.00 6.45 2.10 -1.91 0.74 117.51 128.54 2vlp h ILE 7 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2vlp h ILE 7 Cb 1.18 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2vlp h ILE 7 CO 0.40 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.93 2vlp n SER 8 N -4.01 0.00 0.11 2.19 3.41 -1.25 -1.84 113.62 112.23 2vlp n SER 8 Ca -0.02 -0.30 0.13 0.00 -0.26 0.00 0.00 58.87 58.42 2vlp n SER 8 Cb 0.11 -0.20 0.42 0.00 -0.26 0.00 0.00 64.21 64.28 2vlp n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vlp n ASP 9 N -1.20 0.79 -4.83 4.04 10.43 0.25 -3.70 116.55 122.34 2vlp n ASP 9 Ca 0.14 0.59 -0.36 0.00 2.57 0.00 0.00 54.79 57.73 2vlp n ASP 9 Cb 0.17 -0.80 -0.07 0.00 1.84 0.00 0.00 41.12 42.27 2vlp n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2vlp s TYR 10 N -3.13 3.52 0.79 1.24 1.51 -0.77 -4.83 117.35 115.68 2vlp s TYR 10 Ca 0.10 0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 56.50 2vlp s TYR 10 Cb 0.12 -1.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2vlp s TYR 10 CO 0.57 0.64 1.09 0.95 -1.11 0.00 0.00 175.55 177.68 2vlp s THR 11 N -0.81 3.30 0.32 -0.71 -4.23 -1.26 0.16 115.64 112.41 2vlp s THR 11 Ca 0.14 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2vlp s THR 11 Cb -0.12 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.03 2vlp s THR 11 CO 0.03 -0.55 1.95 -0.08 -0.54 0.00 0.00 174.62 175.43 2vlp h GLU 12 N -1.14 0.97 -0.42 3.99 4.81 -1.91 -0.92 114.58 119.96 2vlp h GLU 12 Ca -0.45 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 2vlp h GLU 12 Cb 1.24 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2vlp h GLU 12 CO 0.53 0.64 -0.22 0.00 -0.73 0.00 0.00 179.01 179.24 2vlp h ALA 13 N 1.53 0.81 -0.83 2.92 0.00 -1.93 0.88 119.26 122.64 2vlp h ALA 13 Ca 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2vlp h ALA 13 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2vlp h ALA 13 CO -0.10 0.65 0.45 0.93 0.00 0.00 0.00 179.25 181.18 2vlp h GLU 14 N 0.74 1.16 -0.17 0.00 5.08 -1.82 -1.89 114.58 117.67 2vlp h GLU 14 Ca 0.10 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2vlp h GLU 14 Cb 0.76 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2vlp h GLU 14 CO 0.06 0.85 -0.63 0.35 -1.00 0.00 0.00 179.01 178.64 2vlp h PHE 15 N 1.15 0.76 -0.71 4.33 3.57 -0.59 -2.07 116.94 123.39 2vlp h PHE 15 Ca 0.29 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2vlp h PHE 15 Cb 0.03 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2vlp h PHE 15 CO 0.00 1.06 0.41 1.25 -2.23 0.00 0.00 178.31 178.81 2vlp h LEU 16 N 0.44 0.86 -0.56 0.59 5.85 -0.76 -0.11 115.31 121.61 2vlp h LEU 16 Ca -0.01 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2vlp h LEU 16 Cb 1.20 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2vlp h LEU 16 CO 0.12 0.68 0.31 1.56 -0.34 0.00 0.00 178.44 180.76 2vlp h GLN 17 N 0.96 0.57 -0.07 1.25 1.08 -1.22 -0.41 115.11 117.27 2vlp h GLN 17 Ca 0.25 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2vlp h GLN 17 Cb -0.01 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2vlp h GLN 17 CO -0.05 0.38 0.04 1.25 -0.95 0.00 0.00 178.83 179.50 2vlp h LEU 18 N 0.59 0.09 -0.67 1.46 5.85 -0.74 -0.58 115.31 121.31 2vlp h LEU 18 Ca 0.24 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2vlp h LEU 18 Cb 0.12 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2vlp h LEU 18 CO -0.15 0.15 0.41 0.58 -0.34 0.00 0.00 178.44 179.09 2vlp h VAL 19 N 0.03 1.19 -0.30 1.05 2.07 -0.82 -2.07 116.25 117.39 2vlp h VAL 19 Ca 0.03 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2vlp h VAL 19 Cb 0.08 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2vlp h VAL 19 CO -0.00 0.20 0.18 0.74 0.02 0.00 0.00 177.57 178.70 2vlp h THR 20 N 0.91 1.04 -0.64 2.57 2.02 -0.89 0.79 112.91 118.72 2vlp h THR 20 Ca 0.24 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.43 2vlp h THR 20 Cb -0.04 0.64 -0.11 0.00 -1.74 0.00 0.00 68.15 66.90 2vlp h THR 20 CO -0.05 0.07 -0.04 0.74 0.37 0.00 0.00 175.52 176.61 2vlp h THR 21 N 0.37 0.44 -0.12 3.16 2.02 -0.71 0.20 112.91 118.27 2vlp h THR 21 Ca 0.12 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2vlp h THR 21 Cb -0.01 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2vlp h THR 21 CO -0.05 0.02 0.03 0.40 0.37 0.00 0.00 175.52 176.29 2vlp h ILE 22 N 0.08 1.19 0.00 3.11 2.04 -0.69 -0.28 117.51 122.97 2vlp h ILE 22 Ca 0.33 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 2vlp h ILE 22 Cb 0.54 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2vlp h ILE 22 CO -0.58 0.17 -0.32 0.00 0.00 0.00 0.00 178.15 177.43 2vlp n ASN 24 N -4.15 0.61 -4.07 0.00 3.02 -0.01 -4.94 115.26 105.72 2vlp n ASN 24 Ca -0.02 -0.60 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 2vlp n ASN 24 Cb 0.36 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 2vlp n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vlp n ALA 25 N -0.92 -1.58 -1.34 5.41 0.00 -0.56 -4.86 120.51 116.66 2vlp n ALA 25 Ca 0.13 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2vlp n ALA 25 Cb 0.30 -2.77 -0.05 0.00 0.00 0.00 0.00 19.45 16.93 2vlp n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2vlp n ASP 26 N -2.82 8.12 -4.44 0.00 10.43 -0.18 -4.88 116.55 122.78 2vlp n ASP 26 Ca -0.09 -2.63 -0.21 0.00 2.57 0.00 0.00 54.79 54.42 2vlp n ASP 26 Cb 0.58 -1.51 -0.11 0.00 1.84 0.00 0.00 41.12 41.92 2vlp n ASP 26 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2vlp s THR 27 N 1.55 1.37 -0.68 -3.53 -4.23 -1.26 -4.96 115.64 103.89 2vlp s THR 27 Ca 0.68 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 59.40 2vlp s THR 27 Cb 0.21 -2.66 0.21 0.00 1.34 0.00 0.00 72.50 71.60 2vlp s THR 27 CO -0.06 -0.12 1.62 0.77 -0.54 0.00 0.00 174.62 176.29 2vlp h SER 28 N 2.18 0.00 -5.02 3.99 4.64 -1.97 -3.48 113.55 113.89 2vlp h SER 28 Ca -0.40 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2vlp h SER 28 Cb 1.24 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.22 2vlp h SER 28 CO 0.69 0.03 0.14 -0.94 -0.87 0.00 0.00 176.83 175.88 2vlp s SER 29 N -4.53 -0.44 0.20 4.97 1.04 -1.26 -5.03 113.70 108.65 2vlp s SER 29 Ca 0.09 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 2vlp s SER 29 Cb 0.12 0.59 0.14 0.00 0.10 0.00 0.00 66.02 66.97 2vlp s SER 29 CO 0.64 -1.00 1.79 -0.08 0.98 0.00 0.00 173.24 175.57 2vlp h GLU 30 N 2.09 1.09 -0.84 4.02 4.81 -2.00 -2.16 114.58 121.59 2vlp h GLU 30 Ca -0.32 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2vlp h GLU 30 Cb 1.29 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 2vlp h GLU 30 CO 0.38 0.86 0.53 0.93 -0.73 0.00 0.00 179.01 180.98 2vlp h GLU 31 N 1.06 0.97 -0.49 1.92 3.07 -1.99 0.51 114.58 119.64 2vlp h GLU 31 Ca 0.26 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 2vlp h GLU 31 Cb 0.13 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2vlp h GLU 31 CO -0.03 0.65 -0.21 0.93 -1.40 0.00 0.00 179.01 178.95 2vlp h GLU 32 N 1.00 1.01 -0.49 2.33 4.39 -1.88 -1.13 114.58 119.81 2vlp h GLU 32 Ca 0.35 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2vlp h GLU 32 Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2vlp h GLU 32 CO -0.14 1.11 0.25 1.25 -1.16 0.00 0.00 179.01 180.32 2vlp h LEU 33 N 0.87 0.62 -1.08 1.33 5.85 -0.73 -2.19 115.31 119.98 2vlp h LEU 33 Ca 0.11 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2vlp h LEU 33 Cb 0.79 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2vlp h LEU 33 CO 0.07 0.55 0.03 0.58 -0.34 0.00 0.00 178.44 179.33 2vlp h VAL 34 N 0.65 1.22 -0.83 1.05 2.07 -0.72 -0.30 116.25 119.39 2vlp h VAL 34 Ca 0.17 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2vlp h VAL 34 Cb 0.08 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2vlp h VAL 34 CO -0.02 0.30 0.47 0.50 0.02 0.00 0.00 177.57 178.84 2vlp h LYS 35 N 0.65 1.15 -0.48 1.57 3.64 -1.01 0.21 116.57 122.29 2vlp h LYS 35 Ca 0.14 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2vlp h LYS 35 Cb 0.36 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2vlp h LYS 35 CO 0.01 0.83 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.77 2vlp h LEU 36 N 1.15 0.98 -0.28 5.20 3.38 -0.89 -0.88 115.31 123.97 2vlp h LEU 36 Ca 0.29 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2vlp h LEU 36 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2vlp h LEU 36 CO -0.05 1.13 0.03 0.58 0.09 0.00 0.00 178.44 180.22 2vlp h VAL 37 N 0.84 1.24 -0.89 1.22 2.07 -0.83 0.07 116.25 119.97 2vlp h VAL 37 Ca 0.12 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.86 2vlp h VAL 37 Cb 0.75 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2vlp h VAL 37 CO 0.06 0.27 0.55 0.74 0.02 0.00 0.00 177.57 179.21 2vlp h THR 38 N 0.28 1.03 -0.35 2.57 2.02 -0.70 -0.27 112.91 117.49 2vlp h THR 38 Ca 0.08 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2vlp h THR 38 Cb 0.37 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2vlp h THR 38 CO 0.01 0.18 -0.06 -0.74 0.37 0.00 0.00 175.52 175.28 2vlp h HIS 39 N 0.99 0.73 -0.36 3.16 6.17 -0.88 -0.65 115.15 124.31 2vlp h HIS 39 Ca 0.40 -0.15 0.08 0.00 0.71 0.00 0.00 60.37 61.40 2vlp h HIS 39 Cb 0.21 -0.18 -0.08 0.00 2.52 0.00 0.00 27.41 29.88 2vlp h HIS 39 CO -0.03 0.81 -0.22 0.35 0.71 0.00 0.00 177.93 179.54 2vlp h PHE 40 N 0.45 -0.58 -0.60 5.26 3.04 -0.53 0.35 116.94 124.34 2vlp h PHE 40 Ca 0.09 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 2vlp h PHE 40 Cb 0.55 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 39.35 2vlp h PHE 40 CO 0.05 -0.30 0.20 0.93 -2.02 0.00 0.00 178.31 177.17 2vlp h GLU 41 N -0.17 0.92 -0.72 1.11 5.08 -0.60 -0.69 114.58 119.51 2vlp h GLU 41 Ca 0.18 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2vlp h GLU 41 Cb 0.45 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2vlp h GLU 41 CO -0.46 0.81 0.48 0.93 -1.00 0.00 0.00 179.01 179.76 2vlp h GLU 42 N 0.84 0.85 0.00 2.33 5.08 -0.57 -1.63 114.58 121.48 2vlp h GLU 42 Ca 0.19 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2vlp h GLU 42 Cb 0.26 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2vlp h GLU 42 CO -0.01 0.56 -0.00 0.52 -1.00 0.00 0.00 179.01 179.08 2vlp h MET 43 N 0.88 -0.00 -0.06 2.33 2.86 0.58 -3.28 114.93 118.23 2vlp h MET 43 Ca 0.29 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.80 2vlp h MET 43 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2vlp h MET 43 CO -0.08 0.55 -0.51 1.79 1.06 0.00 0.00 176.91 179.71 2vlp h THR 44 N -0.55 1.36 -0.58 2.22 1.35 -1.15 -3.37 112.91 112.18 2vlp h THR 44 Ca -0.00 -1.77 -0.24 0.00 -0.55 0.00 0.00 66.41 63.85 2vlp h THR 44 Cb 0.55 1.88 -0.09 0.00 -1.73 0.00 0.00 68.15 68.75 2vlp h THR 44 CO 0.00 0.52 -0.22 -0.62 -0.25 0.00 0.00 175.52 174.95 2vlp n GLU 45 N -3.94 -1.69 -2.56 4.72 1.02 -0.62 -4.94 120.64 112.64 2vlp n GLU 45 Ca -0.02 0.90 -0.40 0.00 -0.02 0.00 0.00 57.16 57.62 2vlp n GLU 45 Cb 0.55 -5.31 -0.05 0.00 -0.02 0.00 0.00 31.44 26.60 2vlp n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2vlp s HIS 46 N -1.98 3.69 -0.29 -0.32 2.46 -1.26 -4.95 115.29 112.64 2vlp s HIS 46 Ca 0.00 1.73 0.28 0.00 0.47 0.00 0.00 55.06 57.53 2vlp s HIS 46 Cb 0.00 -3.20 0.92 0.00 -0.13 0.00 0.00 32.58 30.17 2vlp s HIS 46 CO 0.00 -0.31 1.80 -1.00 -2.47 0.00 0.00 174.74 172.76 2vlp h PRO 47 N 4.33 0.00 0.00 2.88 0.13 -1.96 -2.37 132.00 135.01 2vlp h PRO 47 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2vlp h PRO 47 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2vlp h PRO 47 CO 0.69 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.23 2vlp h SER 48 N 0.00 0.00 0.00 1.44 0.02 -2.00 -3.48 113.55 109.52 2vlp h SER 48 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2vlp h SER 48 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2vlp h SER 48 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2vlp n GLY 49 N 0.00 2.91 0.07 -3.77 0.00 -0.90 -0.89 105.19 102.62 2vlp n GLY 49 Ca 0.01 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2vlp n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vlp n SER 50 N 1.25 0.29 0.23 1.61 3.41 -1.26 -2.72 113.62 116.43 2vlp n SER 50 Ca 0.00 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2vlp n SER 50 Cb 0.00 -0.66 0.56 0.00 -0.26 0.00 0.00 64.21 63.85 2vlp n SER 50 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2vlp h ASP 51 N 0.00 0.00 -0.97 4.04 3.45 -1.35 -1.88 116.42 119.71 2vlp h ASP 51 Ca 0.00 0.00 0.20 0.00 0.43 0.00 0.00 57.03 57.66 2vlp h ASP 51 Cb 0.10 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.78 2vlp h ASP 51 CO 0.00 0.19 0.61 -0.07 -1.57 0.00 0.00 179.24 178.41 2vlp h LEU 52 N 0.00 0.62 0.08 1.55 3.38 -1.66 0.41 115.31 119.69 2vlp h LEU 52 Ca -0.00 0.07 -0.30 0.00 0.09 0.00 0.00 57.88 57.74 2vlp h LEU 52 Cb 0.39 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2vlp h LEU 52 CO 0.03 0.23 -1.59 0.40 0.09 0.00 0.00 178.44 177.59 2vlp h ILE 53 N 0.61 0.82 0.00 1.22 2.04 -1.59 -3.41 117.51 117.20 2vlp h ILE 53 Ca 0.53 -2.30 -0.33 0.00 1.00 0.00 0.00 64.86 63.77 2vlp h ILE 53 Cb 1.03 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 39.50 2vlp h ILE 53 CO -0.28 0.64 -2.22 -1.22 0.00 0.00 0.00 178.15 175.06 2vlp n TYR 54 N -3.93 0.00 -3.10 1.37 4.02 -0.90 -4.71 117.16 109.91 2vlp n TYR 54 Ca -0.30 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.35 2vlp n TYR 54 Cb 0.88 -0.87 -0.04 0.00 -0.02 0.00 0.00 39.34 39.29 2vlp n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2vlp n TYR 55 N -2.75 2.13 -1.90 -0.72 4.02 0.14 -5.04 117.16 113.05 2vlp n TYR 55 Ca -0.31 -3.91 -0.35 0.00 -0.01 0.00 0.00 57.90 53.32 2vlp n TYR 55 Cb 1.04 -0.46 0.04 0.00 -0.02 0.00 0.00 39.34 39.95 2vlp n TYR 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2vlp s PRO 56 N -2.80 2.83 0.67 -0.72 0.04 -0.99 -4.62 135.00 129.41 2vlp s PRO 56 Ca 0.44 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 2vlp s PRO 56 Cb 0.29 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2vlp s PRO 56 CO -0.10 -1.29 1.21 0.15 0.04 0.00 0.00 177.00 177.00 2vlp s LYS 57 N -3.53 2.54 0.24 4.56 1.02 -1.26 -4.91 119.74 118.39 2vlp s LYS 57 Ca 0.75 1.79 -0.31 0.00 0.02 0.00 0.00 55.97 58.22 2vlp s LYS 57 Cb -0.28 -1.88 -0.14 0.00 -0.52 0.00 0.00 37.83 35.01 2vlp s LYS 57 CO 0.36 -1.54 1.25 -1.91 -0.92 0.00 0.00 175.35 172.59 2vlp n GLU 58 N -2.20 1.65 -0.97 1.68 2.13 -1.26 -1.35 120.64 120.31 2vlp n GLU 58 Ca 0.13 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2vlp n GLU 58 Cb 0.50 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2vlp n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vlp n GLY 59 N 1.83 0.24 3.82 8.31 0.00 -1.26 -5.01 105.19 113.12 2vlp n GLY 59 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2vlp n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vlp s ASP 60 N -2.05 7.01 -0.53 1.61 -0.00 -0.46 -5.04 116.67 117.20 2vlp s ASP 60 Ca 0.00 1.25 -0.28 0.00 -0.00 0.00 0.00 52.55 53.53 2vlp s ASP 60 Cb 0.00 -2.36 0.03 0.00 -0.00 0.00 0.00 42.92 40.60 2vlp s ASP 60 CO 0.00 0.18 1.12 -0.62 -0.00 0.00 0.00 175.17 175.84 2vlp s ASP 61 N -1.39 6.49 -0.21 0.27 -1.08 -1.26 -4.87 116.67 114.62 2vlp s ASP 61 Ca 0.34 0.15 0.10 0.00 -0.52 0.00 0.00 52.55 52.62 2vlp s ASP 61 Cb -0.18 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.38 2vlp s ASP 61 CO 0.20 -1.34 1.51 -0.90 0.52 0.00 0.00 175.17 175.16 2vlp n ASP 62 N 8.01 4.52 -4.75 -0.34 3.85 -1.26 -2.75 116.55 123.82 2vlp n ASP 62 Ca 0.08 -2.80 -0.31 0.00 -0.71 0.00 0.00 54.79 51.05 2vlp n ASP 62 Cb 0.49 -0.66 0.10 0.00 -1.35 0.00 0.00 41.12 39.70 2vlp n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2vlp s SER 63 N -0.63 4.26 0.19 -1.12 1.04 -1.26 -4.79 113.70 111.39 2vlp s SER 63 Ca 0.43 1.84 -0.16 0.00 0.48 0.00 0.00 55.95 58.54 2vlp s SER 63 Cb 0.33 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 64.12 2vlp s SER 63 CO 0.12 -2.20 1.64 -0.65 0.98 0.00 0.00 173.24 173.13 2vlp h PRO 64 N -1.24 -0.03 -0.15 4.02 0.11 -1.91 -0.17 132.00 132.64 2vlp h PRO 64 Ca -0.44 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 2vlp h PRO 64 Cb 1.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2vlp h PRO 64 CO 0.50 -0.02 -0.35 0.66 -0.21 0.00 0.00 178.00 178.58 2vlp h SER 65 N -0.03 0.31 0.28 -2.05 4.64 -1.93 -1.40 113.55 113.38 2vlp h SER 65 Ca 0.25 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2vlp h SER 65 Cb 0.42 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2vlp h SER 65 CO -0.56 0.65 -0.18 1.23 -0.87 0.00 0.00 176.83 177.09 2vlp h GLY 66 N 1.12 -0.47 0.47 -0.77 0.00 -1.57 -1.71 103.07 100.16 2vlp h GLY 66 Ca 0.03 0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.64 2vlp h GLY 66 CO 0.06 -0.19 0.19 -2.22 0.00 0.00 0.00 176.54 174.38 2vlp h ILE 67 N -0.46 0.81 -0.51 2.60 2.04 -0.77 -1.31 117.51 119.91 2vlp h ILE 67 Ca -0.03 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2vlp h ILE 67 Cb 0.39 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2vlp h ILE 67 CO 0.02 0.07 0.32 0.58 0.00 0.00 0.00 178.15 179.14 2vlp h VAL 68 N 0.37 1.10 -0.43 1.67 2.07 -1.16 -1.71 116.25 118.17 2vlp h VAL 68 Ca 0.26 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2vlp h VAL 68 Cb 0.30 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2vlp h VAL 68 CO -0.27 0.12 0.27 -1.13 0.02 0.00 0.00 177.57 176.58 2vlp h ASN 69 N 0.66 0.50 -0.25 0.57 -0.73 -1.08 0.20 115.58 115.44 2vlp h ASN 69 Ca 0.19 -0.04 0.04 0.00 1.87 0.00 0.00 56.30 58.36 2vlp h ASN 69 Cb -0.04 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 2vlp h ASN 69 CO -0.06 0.39 0.03 0.74 -0.37 0.00 0.00 177.43 178.16 2vlp h THR 70 N 0.57 0.86 -0.21 -3.57 2.02 -0.99 -0.26 112.91 111.33 2vlp h THR 70 Ca 0.15 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2vlp h THR 70 Cb -0.03 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2vlp h THR 70 CO -0.03 0.02 -0.01 0.58 0.37 0.00 0.00 175.52 176.45 2vlp h VAL 71 N 0.12 0.84 -0.47 3.16 2.07 -1.10 -0.89 116.25 119.97 2vlp h VAL 71 Ca 0.11 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2vlp h VAL 71 Cb 0.13 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2vlp h VAL 71 CO -0.17 0.01 0.26 0.50 0.02 0.00 0.00 177.57 178.19 2vlp h LYS 72 N 0.05 0.65 -0.23 1.57 3.64 -0.32 -0.47 116.57 121.46 2vlp h LYS 72 Ca 0.10 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 2vlp h LYS 72 Cb 0.13 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2vlp h LYS 72 CO -0.18 0.51 -0.60 1.96 -2.27 0.00 0.00 179.45 178.87 2vlp h GLN 73 N 0.62 0.75 -0.73 1.90 4.20 -0.96 -1.48 115.11 119.40 2vlp h GLN 73 Ca 0.17 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 2vlp h GLN 73 Cb 0.04 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2vlp h GLN 73 CO -0.03 1.13 0.34 2.35 -0.67 0.00 0.00 178.83 181.95 2vlp h TRP 74 N 0.56 1.06 -0.27 2.96 7.01 -0.88 0.13 115.95 126.52 2vlp h TRP 74 Ca -0.00 -0.06 -0.15 0.00 2.11 0.00 0.00 58.89 60.79 2vlp h TRP 74 Cb 1.19 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 2vlp h TRP 74 CO 0.07 0.79 -0.46 0.00 -2.79 0.00 0.00 178.44 176.05 2vlp h ARG 75 N 1.03 0.70 -0.37 2.65 3.08 -1.01 -2.00 114.38 118.47 2vlp h ARG 75 Ca 0.25 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.92 2vlp h ARG 75 Cb 0.13 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2vlp h ARG 75 CO -0.03 1.01 0.21 0.00 -1.07 0.00 0.00 179.97 180.09 2vlp h ALA 76 N 0.92 0.46 0.00 0.04 0.00 -1.04 0.23 119.26 119.88 2vlp h ALA 76 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2vlp h ALA 76 Cb 1.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2vlp h ALA 76 CO 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 179.25 179.11 2vlp h ALA 77 N 1.17 1.31 -0.35 0.00 0.00 -0.49 -3.00 119.26 117.89 2vlp h ALA 77 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vlp h ALA 77 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2vlp h ALA 77 CO -0.07 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.39 2vlp n ASN 78 N -3.65 3.73 -1.86 0.00 3.02 -0.78 -4.96 115.26 110.76 2vlp n ASN 78 Ca -0.02 -2.58 -0.17 0.00 -0.03 0.00 0.00 54.58 51.78 2vlp n ASN 78 Cb 0.22 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 2vlp n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vlp n GLY 79 N 0.11 0.05 3.96 7.41 0.00 -0.88 -5.01 105.19 110.83 2vlp n GLY 79 Ca 0.19 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2vlp n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlp s LYS 80 N -4.60 3.32 0.67 1.61 1.02 0.02 -5.04 119.74 116.74 2vlp s LYS 80 Ca 0.00 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.23 2vlp s LYS 80 Cb 0.00 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2vlp s LYS 80 CO 0.00 0.13 1.18 -1.54 -0.92 0.00 0.00 175.35 174.20 2vlp s SER 81 N -4.08 4.71 0.01 2.83 1.04 -1.26 -4.49 113.70 112.47 2vlp s SER 81 Ca 0.41 2.27 0.00 0.00 0.48 0.00 0.00 55.95 59.11 2vlp s SER 81 Cb -0.09 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2vlp s SER 81 CO 0.34 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 173.26 2vlp n GLY 82 N 0.19 1.81 3.80 7.32 0.00 -1.26 -4.86 105.19 112.19 2vlp n GLY 82 Ca 0.13 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2vlp n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vlp s PHE 83 N 1.55 2.91 0.45 1.61 0.40 -1.26 -3.89 117.98 119.74 2vlp s PHE 83 Ca 0.00 1.50 -0.24 0.00 -0.60 0.00 0.00 56.93 57.59 2vlp s PHE 83 Cb 0.00 -3.00 -0.07 0.00 0.51 0.00 0.00 43.02 40.46 2vlp s PHE 83 CO 0.00 -1.34 1.23 0.21 0.70 0.00 0.00 175.22 176.02 2vlp s LYS 84 N -4.50 3.76 0.00 0.44 2.20 0.12 -4.89 119.74 116.87 2vlp s LYS 84 Ca 0.62 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2vlp s LYS 84 Cb -0.16 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2vlp s LYS 84 CO 0.46 -0.60 0.00 0.94 -0.36 0.00 0.00 175.35 175.79