#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rng s PRO 2 N 0.00 4.13 -0.58 3.52 0.04 -1.26 -4.92 135.00 135.92 2rng s PRO 2 Ca 0.00 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2rng s PRO 2 Cb 0.00 -3.86 0.41 0.00 0.04 0.00 0.00 34.50 31.09 2rng s PRO 2 CO 0.00 -0.86 1.59 -0.11 0.04 0.00 0.00 177.00 177.65 2rng n LEU 3 N 7.08 6.20 -4.82 -3.56 0.00 -1.26 -5.03 117.00 115.62 2rng n LEU 3 Ca 0.15 -4.84 -0.34 0.00 0.00 0.00 0.00 56.01 50.98 2rng n LEU 3 Cb 0.45 -0.73 -0.07 0.00 0.00 0.00 0.00 43.42 43.07 2rng n LEU 3 CO 0.59 1.92 0.58 -0.63 0.00 0.00 0.00 177.39 179.85 2rng s ILE 4 N -5.09 4.44 0.00 1.96 -1.09 -1.26 -5.06 121.20 115.10 2rng s ILE 4 Ca 0.53 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2rng s ILE 4 Cb 0.43 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2rng s ILE 4 CO -0.19 -0.18 0.00 -0.81 -1.23 0.00 0.00 174.94 172.53 2rng n PRO 5 N -0.29 1.25 -0.03 2.79 -0.04 -1.26 -5.04 135.00 132.39 2rng n PRO 5 Ca 0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.46 2rng n PRO 5 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 2rng n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rng n ALA 6 N -3.00 2.21 -0.10 0.55 0.00 -1.26 -4.65 120.51 114.26 2rng n ALA 6 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 6 Cb 0.00 0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.87 2rng n ALA 6 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2rng h ILE 7 N -0.08 0.69 -1.18 0.00 2.10 -1.96 0.40 117.51 117.47 2rng h ILE 7 Ca -0.12 -0.02 0.34 0.00 1.08 0.00 0.00 64.86 66.14 2rng h ILE 7 Cb 1.15 0.64 -0.08 0.00 -1.09 0.00 0.00 36.82 37.43 2rng h ILE 7 CO -0.04 0.01 0.80 1.88 -1.08 0.00 0.00 178.15 179.72 2rng h TYR 8 N 0.05 0.36 -2.93 2.19 -1.99 -1.94 -3.30 116.97 109.41 2rng h TYR 8 Ca 0.17 0.01 -0.55 0.00 2.00 0.00 0.00 58.73 60.37 2rng h TYR 8 Cb 0.25 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 2rng h TYR 8 CO -0.29 -0.01 0.83 0.42 -0.00 0.00 0.00 178.16 179.11 2rng s ILE 9 N -5.23 3.91 -0.64 -2.88 1.01 0.13 -2.19 121.20 115.32 2rng s ILE 9 Ca -0.07 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.82 2rng s ILE 9 Cb 0.25 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2rng s ILE 9 CO 0.81 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2rng n GLY 10 N 3.61 0.07 0.00 6.18 0.00 0.64 -4.99 105.19 110.70 2rng n GLY 10 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2rng n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng n ALA 11 N -1.34 0.00 -3.27 4.61 0.00 -0.82 -4.83 120.51 114.86 2rng n ALA 11 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 2rng n ALA 11 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 2rng n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2rng s THR 12 N 0.35 -0.70 0.48 0.00 2.01 -1.26 -1.88 115.64 114.64 2rng s THR 12 Ca 0.00 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2rng s THR 12 Cb 0.00 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.55 2rng s THR 12 CO 0.00 -0.23 0.68 0.68 -0.69 0.00 0.00 174.62 175.06 2rng s VAL 13 N 2.58 3.16 0.00 3.82 -7.23 -0.08 -4.78 120.40 117.87 2rng s VAL 13 Ca 0.10 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2rng s VAL 13 Cb -0.12 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2rng s VAL 13 CO -0.29 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 2rng n GLY 14 N -2.11 -1.43 0.08 2.32 0.00 -1.25 -0.16 105.19 102.63 2rng n GLY 14 Ca 0.06 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2rng n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rng h PRO 15 N 0.00 0.07 0.42 1.61 0.13 -1.81 -2.18 132.00 130.25 2rng h PRO 15 Ca 0.00 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2rng h PRO 15 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2rng h PRO 15 CO 0.00 0.82 -0.20 1.03 -0.23 0.00 0.00 178.00 179.42 2rng h SER 16 N -0.66 -0.48 -0.48 1.44 0.87 -1.93 -2.09 113.55 110.20 2rng h SER 16 Ca -0.01 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2rng h SER 16 Cb 0.85 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2rng h SER 16 CO 0.02 -0.32 0.27 0.58 -0.53 0.00 0.00 176.83 176.85 2rng h VAL 17 N -0.59 1.02 0.06 2.23 2.07 -1.93 -2.48 116.25 116.63 2rng h VAL 17 Ca -0.06 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2rng h VAL 17 Cb 0.45 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2rng h VAL 17 CO 0.09 0.10 -0.19 -0.25 0.02 0.00 0.00 177.57 177.35 2rng h TRP 18 N 0.54 -0.54 -1.35 1.57 7.01 -1.22 -0.22 115.95 121.75 2rng h TRP 18 Ca 0.20 0.01 0.42 0.00 2.11 0.00 0.00 58.89 61.63 2rng h TRP 18 Cb 0.05 0.23 -0.11 0.00 -2.10 0.00 0.00 29.16 27.23 2rng h TRP 18 CO -0.08 -0.21 0.90 0.00 -2.79 0.00 0.00 178.44 176.26 2rng h ALA 19 N -1.23 2.85 0.63 2.65 0.00 -1.29 -0.46 119.26 122.41 2rng h ALA 19 Ca -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2rng h ALA 19 Cb 0.27 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2rng h ALA 19 CO -0.09 -1.41 -0.30 -0.92 0.00 0.00 0.00 179.25 176.53 2rng h TYR 20 N 0.11 -0.78 -0.48 0.00 3.20 -0.59 -1.76 116.97 116.68 2rng h TYR 20 Ca 0.77 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.76 2rng h TYR 20 Cb 2.53 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 41.04 2rng h TYR 20 CO -0.00 -0.49 0.49 1.25 -1.64 0.00 0.00 178.16 177.77 2rng h LEU 21 N -1.00 0.00 0.03 2.82 6.46 -0.27 -0.45 115.31 122.90 2rng h LEU 21 Ca -0.09 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2rng h LEU 21 Cb 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2rng h LEU 21 CO 0.14 0.00 -0.01 0.58 -0.62 0.00 0.00 178.44 178.53 2rng h VAL 22 N 0.00 1.32 -0.26 1.05 2.07 -0.89 -2.24 116.25 117.30 2rng h VAL 22 Ca 0.23 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2rng h VAL 22 Cb 1.20 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2rng h VAL 22 CO -0.00 0.29 0.25 0.00 0.02 0.00 0.00 177.57 178.13 2rng h ALA 23 N 0.41 1.97 0.02 1.67 0.00 -0.20 1.97 119.26 125.10 2rng h ALA 23 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rng h ALA 23 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2rng h ALA 23 CO 0.01 -0.39 -0.01 1.25 0.00 0.00 0.00 179.25 180.11 2rng h LEU 24 N 0.00 -0.02 0.00 0.00 5.85 -1.17 -3.42 115.31 116.55 2rng h LEU 24 Ca 0.12 -0.65 -0.15 0.00 0.84 0.00 0.00 57.88 58.04 2rng h LEU 24 Cb 0.63 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2rng h LEU 24 CO -0.00 0.66 -1.53 1.33 -0.34 0.00 0.00 178.44 178.56 2rng n VAL 25 N -4.77 0.52 0.00 1.05 0.24 -0.76 -5.02 118.33 109.59 2rng n VAL 25 Ca -0.09 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2rng n VAL 25 Cb 0.33 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rng n GLY 26 N 2.79 2.96 0.22 7.63 0.00 0.66 -4.68 105.19 114.77 2rng n GLY 26 Ca -0.17 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 43.99 2rng n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng h ALA 27 N 0.00 1.25 0.30 4.61 0.00 -1.93 -1.54 119.26 121.96 2rng h ALA 27 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2rng h ALA 27 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2rng h ALA 27 CO 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 179.42 2rng h ALA 28 N 1.74 -0.41 -0.70 0.00 0.00 -1.96 0.10 119.26 118.05 2rng h ALA 28 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2rng h ALA 28 Cb 0.57 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2rng h ALA 28 CO 0.03 -0.53 0.22 0.00 0.00 0.00 0.00 179.25 178.97 2rng h ALA 29 N -0.31 0.91 0.00 0.00 0.00 -1.82 -0.49 119.26 117.56 2rng h ALA 29 Ca -0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2rng h ALA 29 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rng h ALA 29 CO 0.07 0.59 -0.22 0.28 0.00 0.00 0.00 179.25 179.97 2rng h VAL 30 N 1.02 0.68 0.00 0.00 2.07 -1.29 -1.79 116.25 116.94 2rng h VAL 30 Ca 0.22 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2rng h VAL 30 Cb 0.31 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2rng h VAL 30 CO -0.01 0.21 -0.86 0.74 0.02 0.00 0.00 177.57 177.68 2rng h THR 31 N 0.00 0.28 0.00 2.57 2.02 -0.11 -3.24 112.91 114.42 2rng h THR 31 Ca -0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2rng h THR 31 Cb 0.58 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2rng h THR 31 CO 0.03 0.16 -0.80 0.00 0.37 0.00 0.00 175.52 175.27 2rng h ALA 32 N 1.76 0.59 -0.20 6.16 0.00 -0.72 -3.30 119.26 123.54 2rng h ALA 32 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rng h ALA 32 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rng h ALA 32 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2rng n ALA 33 N -2.14 2.81 -3.29 0.00 0.00 -0.71 -4.91 120.51 112.28 2rng n ALA 33 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 2rng n ALA 33 Cb 0.54 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.98 2rng n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rng n ASN 34 N 0.20 -6.82 -4.06 0.00 2.85 -1.24 -1.26 115.26 104.93 2rng n ASN 34 Ca 0.09 -0.44 -0.32 0.00 -0.11 0.00 0.00 54.58 53.80 2rng n ASN 34 Cb 0.46 -4.44 -0.15 0.00 1.24 0.00 0.00 39.78 36.89 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2rng s ILE 35 N -3.11 2.13 0.26 -1.44 1.01 -1.22 -0.26 121.20 118.57 2rng s ILE 35 Ca 0.13 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 2rng s ILE 35 Cb -0.03 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 2rng s ILE 35 CO 0.79 -0.03 0.55 -0.13 0.00 0.00 0.00 174.94 176.11 2rng s ARG 36 N 1.12 3.69 0.29 2.79 0.52 -0.79 -4.87 118.95 121.70 2rng s ARG 36 Ca -0.09 0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 55.22 2rng s ARG 36 Cb -0.20 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2rng s ARG 36 CO -0.05 0.25 0.50 1.03 0.02 0.00 0.00 175.30 177.05 2rng s ARG 37 N -3.26 3.53 0.19 3.54 0.52 -1.26 -0.90 118.95 121.32 2rng s ARG 37 Ca 0.45 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 2rng s ARG 37 Cb -0.11 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 2rng s ARG 37 CO 0.27 0.25 -0.03 0.00 0.02 0.00 0.00 175.30 175.80 2rng s ALA 38 N -2.12 1.61 0.49 2.13 0.00 0.78 -4.84 121.76 119.80 2rng s ALA 38 Ca 0.40 -1.64 0.23 0.00 0.00 0.00 0.00 51.96 50.95 2rng s ALA 38 Cb -0.10 0.36 1.28 0.00 0.00 0.00 0.00 23.12 24.65 2rng s ALA 38 CO 0.32 -0.22 1.93 0.66 0.00 0.00 0.00 175.76 178.46 2rng h SER 39 N 2.61 0.17 -2.72 0.00 4.64 -1.89 -3.15 113.55 113.21 2rng h SER 39 Ca -0.37 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.03 2rng h SER 39 Cb 1.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2rng h SER 39 CO 0.64 0.08 0.45 -1.20 -0.87 0.00 0.00 176.83 175.93 2rng n SER 40 N -4.40 -1.97 0.14 4.97 7.64 -1.26 -4.64 113.62 114.09 2rng n SER 40 Ca 0.14 -2.20 0.18 0.00 1.01 0.00 0.00 58.87 58.00 2rng n SER 40 Cb 0.68 3.25 0.64 0.00 -1.01 0.00 0.00 64.21 67.78 2rng n SER 40 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rng h ASP 41 N 1.96 0.00 -3.63 6.43 5.19 -1.87 -3.34 116.42 121.17 2rng h ASP 41 Ca -0.30 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.49 2rng h ASP 41 Cb 1.21 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.59 2rng h ASP 41 CO 0.39 0.00 0.40 0.21 -3.12 0.00 0.00 179.24 177.12 2rng s ASN 42 N -4.51 6.44 0.34 6.45 2.47 -1.26 -4.61 114.94 120.27 2rng s ASN 42 Ca -0.03 -0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.17 2rng s ASN 42 Cb 0.12 -2.40 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 2rng s ASN 42 CO 0.40 -0.93 0.52 -1.38 -3.72 0.00 0.00 177.10 172.00 2rng s HIS 43 N 3.36 0.87 -0.01 0.43 -3.43 -1.26 -4.70 115.29 110.56 2rng s HIS 43 Ca 0.31 -1.18 -0.29 0.00 -0.80 0.00 0.00 55.06 53.11 2rng s HIS 43 Cb -0.12 0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.07 2rng s HIS 43 CO 0.23 -1.19 0.92 -1.54 -2.00 0.00 0.00 174.74 171.15 2rng s SER 44 N -3.20 7.29 0.44 7.38 1.04 -1.26 -1.06 113.70 124.33 2rng s SER 44 Ca 0.28 1.57 0.04 0.00 0.48 0.00 0.00 55.95 58.31 2rng s SER 44 Cb -0.01 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2rng s SER 44 CO 0.18 -0.21 0.02 0.00 0.98 0.00 0.00 173.24 174.21 2rng n ALA 46 N -1.04 -1.27 -0.56 0.00 0.00 -1.26 -2.27 120.51 114.11 2rng n ALA 46 Ca -0.10 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2rng n ALA 46 Cb 0.67 -3.73 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2rng n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rng n GLY 47 N -1.47 0.51 1.16 0.00 0.00 -1.26 -2.56 105.19 101.56 2rng n GLY 47 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 2rng n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rng n ASN 48 N -0.97 2.92 -0.11 1.61 2.85 -1.26 -3.90 115.26 116.39 2rng n ASN 48 Ca 0.00 -2.42 -0.13 0.00 -0.11 0.00 0.00 54.58 51.91 2rng n ASN 48 Cb 0.00 -0.59 -0.14 0.00 1.24 0.00 0.00 39.78 40.30 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2rng n ARG 49 N 0.11 0.73 -4.52 1.20 1.74 -1.06 -5.01 116.66 109.86 2rng n ARG 49 Ca 0.14 0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 2rng n ARG 49 Cb 0.71 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rng s GLY 50 N -5.86 2.16 0.22 -0.13 0.00 -0.96 -4.25 107.32 98.49 2rng s GLY 50 Ca -0.21 -2.09 -0.01 0.00 0.00 0.00 0.00 44.72 42.42 2rng s GLY 50 CO 0.69 -1.97 0.18 -0.98 0.00 0.00 0.00 173.10 171.01 2rng s TRP 51 N -2.81 1.16 -0.38 1.90 0.52 -0.93 -1.94 118.94 116.45 2rng s TRP 51 Ca 0.33 -1.36 -0.10 0.00 0.02 0.00 0.00 56.10 54.99 2rng s TRP 51 Cb 0.05 -0.51 0.04 0.00 -1.15 0.00 0.00 33.47 31.90 2rng s TRP 51 CO 0.15 -0.70 0.20 0.00 0.02 0.00 0.00 176.95 176.63 2rng s ARG 53 N 1.49 1.05 0.04 0.00 0.52 -0.55 -4.41 118.95 117.09 2rng s ARG 53 Ca 0.01 -1.35 -0.26 0.00 -0.52 0.00 0.00 55.73 53.61 2rng s ARG 53 Cb -0.20 -0.77 -0.17 0.00 0.52 0.00 0.00 34.95 34.33 2rng s ARG 53 CO 0.05 0.12 1.47 0.66 0.02 0.00 0.00 175.30 177.62 2rng h SER 54 N 3.12 -0.26 -3.04 0.23 4.64 -1.95 -2.25 113.55 114.04 2rng h SER 54 Ca -0.38 -0.13 -0.53 0.00 -0.47 0.00 0.00 61.79 60.28 2rng h SER 54 Cb 1.20 0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 63.22 2rng h SER 54 CO 0.57 -0.01 -0.55 -0.75 -0.87 0.00 0.00 176.83 175.21 2rng s LYS 55 N -5.33 1.82 0.24 4.77 2.20 -1.26 -4.55 119.74 117.63 2rng s LYS 55 Ca -0.15 -2.08 -0.11 0.00 -0.36 0.00 0.00 55.97 53.27 2rng s LYS 55 Cb 0.04 -0.76 -0.01 0.00 -1.51 0.00 0.00 37.83 35.59 2rng s LYS 55 CO 0.62 -0.35 0.44 0.00 -0.36 0.00 0.00 175.35 175.69 2rng n PHE 57 N -0.37 -3.86 -0.01 0.00 3.01 -1.26 -5.00 117.46 109.98 2rng n PHE 57 Ca -0.01 -0.79 -0.18 0.00 1.01 0.00 0.00 57.45 57.49 2rng n PHE 57 Cb 0.62 -0.61 -0.14 0.00 -0.01 0.00 0.00 39.48 39.35 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2rng h ARG 58 N 0.00 0.16 -0.47 -1.08 2.43 -2.02 -3.21 114.38 110.20 2rng h ARG 58 Ca -0.26 -0.28 0.14 0.00 -0.81 0.00 0.00 59.98 58.77 2rng h ARG 58 Cb 0.74 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2rng h ARG 58 CO 0.19 1.13 0.78 1.25 -1.51 0.00 0.00 179.97 181.82 2rng h HIS 59 N -0.65 0.00 -0.84 2.20 2.76 -1.98 -3.39 115.15 113.25 2rng h HIS 59 Ca -0.09 0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.43 2rng h HIS 59 Cb 1.37 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.21 2rng h HIS 59 CO 0.23 0.00 -0.52 -1.21 -1.30 0.00 0.00 177.93 175.13 2rng s GLU 60 N -4.35 2.14 0.00 5.26 2.02 -1.21 -4.51 118.70 118.05 2rng s GLU 60 Ca -0.03 -2.24 0.00 0.00 0.02 0.00 0.00 54.97 52.72 2rng s GLU 60 Cb 0.11 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.70 2rng s GLU 60 CO 0.38 -0.27 0.00 2.48 0.02 0.00 0.00 175.26 177.86 2rng n TYR 61 N -1.22 0.00 -3.67 1.61 4.11 -1.00 -4.64 117.16 112.35 2rng n TYR 61 Ca -0.12 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.40 2rng n TYR 61 Cb 0.67 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.92 2rng n TYR 61 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2rng s VAL 62 N -1.72 3.98 -0.99 -3.48 1.01 -1.26 -1.97 120.40 115.96 2rng s VAL 62 Ca 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 61.98 58.88 2rng s VAL 62 Cb 0.00 -3.56 -0.33 0.00 0.00 0.00 0.00 36.38 32.49 2rng s VAL 62 CO 0.00 -0.91 2.18 -0.67 0.00 0.00 0.00 175.10 175.70 2rng n ASP 63 N 3.42 -1.30 0.18 3.32 -0.08 0.51 -4.64 116.55 117.96 2rng n ASP 63 Ca 0.10 -0.54 0.18 0.00 -1.51 0.00 0.00 54.79 53.02 2rng n ASP 63 Cb 0.39 -0.58 0.81 0.00 2.34 0.00 0.00 41.12 44.08 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rng h THR 64 N 7.07 0.38 0.11 5.18 1.35 -1.95 -0.85 112.91 124.20 2rng h THR 64 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.89 2rng h THR 64 Cb 1.13 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2rng h THR 64 CO 1.60 0.00 -0.05 0.22 -0.25 0.00 0.00 175.52 177.04 2rng h TYR 65 N 0.00 -0.14 -0.00 4.73 3.20 -1.91 -3.15 116.97 119.70 2rng h TYR 65 Ca 0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2rng h TYR 65 Cb 0.69 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2rng h TYR 65 CO 0.00 0.26 -0.04 0.66 -1.64 0.00 0.00 178.16 177.40 2rng n TYR 66 N -4.96 0.00 0.25 -3.82 4.01 -0.71 -3.83 117.16 108.10 2rng n TYR 66 Ca -0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.80 2rng n TYR 66 Cb 0.24 -0.23 0.61 0.00 -0.31 0.00 0.00 39.34 39.66 2rng n TYR 66 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2rng h SER 67 N 0.19 0.00 0.03 7.72 4.64 -1.14 -2.51 113.55 122.48 2rng h SER 67 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rng h SER 67 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2rng h SER 67 CO 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 2rng h ALA 68 N 1.04 -0.71 -0.72 5.18 0.00 -1.79 -2.06 119.26 120.20 2rng h ALA 68 Ca 0.07 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.18 2rng h ALA 68 Cb 1.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2rng h ALA 68 CO -0.00 -0.70 0.71 -0.24 0.00 0.00 0.00 179.25 179.01 2rng h VAL 69 N -0.06 0.30 -0.28 0.00 3.04 -1.77 0.28 116.25 117.76 2rng h VAL 69 Ca -0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 2rng h VAL 69 Cb 0.03 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 2rng h VAL 69 CO 0.01 0.00 -0.12 0.00 -1.01 0.00 0.00 177.57 176.44 2rng n GLY 71 N -0.05 1.49 0.30 0.00 0.00 0.97 -3.57 105.19 104.33 2rng n GLY 71 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.46 2rng n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rng h ARG 72 N 0.00 0.76 0.00 1.61 2.47 -1.90 -3.42 114.38 113.90 2rng h ARG 72 Ca 0.00 -0.05 -0.40 0.00 -1.26 0.00 0.00 59.98 58.28 2rng h ARG 72 Cb 0.00 -0.17 0.15 0.00 -1.65 0.00 0.00 29.97 28.30 2rng h ARG 72 CO 0.00 0.50 0.36 0.66 0.56 0.00 0.00 179.97 182.05 2rng n TYR 73 N -4.74 -3.90 -4.91 3.04 4.01 -1.23 -5.01 117.16 104.41 2rng n TYR 73 Ca 0.13 -1.13 -0.26 0.00 -0.16 0.00 0.00 57.90 56.47 2rng n TYR 73 Cb 0.26 -0.92 -0.16 0.00 -0.31 0.00 0.00 39.34 38.22 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2rng s PHE 74 N -3.59 1.72 -0.70 -0.72 0.08 -0.85 -4.69 117.98 109.24 2rng s PHE 74 Ca 0.68 -0.37 -0.26 0.00 0.12 0.00 0.00 56.93 57.11 2rng s PHE 74 Cb -0.02 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2rng s PHE 74 CO 0.48 -0.06 1.19 0.00 -0.10 0.00 0.00 175.22 176.73 2rng s ARG 77 N -5.75 2.23 -0.74 0.00 0.52 -0.83 -2.20 118.95 112.17 2rng s ARG 77 Ca 0.69 -1.45 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 2rng s ARG 77 Cb -0.07 0.61 0.19 0.00 0.52 0.00 0.00 34.95 36.20 2rng s ARG 77 CO 0.52 -1.05 0.59 0.45 0.02 0.00 0.00 175.30 175.83 2rng s SER 78 N -3.11 5.52 0.00 0.23 0.15 -1.26 -2.38 113.70 112.84 2rng s SER 78 Ca 0.16 -3.29 0.00 0.00 0.70 0.00 0.00 55.95 53.52 2rng s SER 78 Cb -0.05 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2rng s SER 78 CO 0.12 -0.27 0.37 -1.14 1.20 0.00 0.00 173.24 173.52