#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 n SER 3 N 0.00 -5.70 -4.70 1.96 7.64 -1.26 -4.56 113.62 107.00 2ri4 n SER 3 Ca 0.00 0.87 -0.42 0.00 1.01 0.00 0.00 58.87 60.33 2ri4 n SER 3 Cb 0.00 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 59.51 2ri4 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ri4 n ALA 4 N 0.41 2.53 0.00 -0.43 0.00 -1.26 0.92 120.51 122.68 2ri4 n ALA 4 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2ri4 n ALA 4 Cb 0.01 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 16.90 2ri4 n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 n ALA 5 N 4.77 0.00 -0.48 0.00 0.00 -1.26 -4.86 120.51 118.67 2ri4 n ALA 5 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ri4 n ALA 5 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2ri4 n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ri4 n ASP 6 N 0.00 0.00 -0.13 0.00 8.00 0.26 -4.26 116.55 120.42 2ri4 n ASP 6 Ca 0.00 0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.50 2ri4 n ASP 6 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 2ri4 n ASP 6 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ri4 n LYS 7 N -2.00 -0.09 0.04 -1.24 5.02 -1.11 0.18 118.16 118.96 2ri4 n LYS 7 Ca 0.00 0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 56.62 2ri4 n LYS 7 Cb 0.00 -0.72 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 2ri4 n LYS 7 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2ri4 h SER 8 N 0.00 -1.67 -0.74 4.39 0.02 -1.84 -0.05 113.55 113.65 2ri4 h SER 8 Ca 0.10 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2ri4 h SER 8 Cb 0.18 0.64 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 2ri4 h SER 8 CO -0.31 -0.52 0.49 0.78 -1.14 0.00 0.00 176.83 176.13 2ri4 h ASN 9 N -0.65 0.82 1.16 3.07 2.35 0.18 -2.26 115.58 120.24 2ri4 h ASN 9 Ca 0.02 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2ri4 h ASN 9 Cb 0.72 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2ri4 h ASN 9 CO -0.38 0.58 -0.44 0.58 -1.65 0.00 0.00 177.43 176.13 2ri4 h VAL 10 N 0.96 0.86 0.14 2.81 2.07 -0.54 0.85 116.25 123.39 2ri4 h VAL 10 Ca 0.28 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 2ri4 h VAL 10 Cb -0.04 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2ri4 h VAL 10 CO -0.07 0.43 -0.07 0.11 0.02 0.00 0.00 177.57 177.99 2ri4 h LYS 11 N 0.00 -0.18 -0.87 1.57 1.79 -0.47 -0.26 116.57 118.16 2ri4 h LYS 11 Ca -0.00 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.66 2ri4 h LYS 11 Cb 1.14 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 31.72 2ri4 h LYS 11 CO 0.06 -0.12 0.42 0.00 -1.08 0.00 0.00 179.45 178.73 2ri4 h ALA 12 N -1.91 1.36 -0.08 3.86 0.00 -1.15 1.23 119.26 122.56 2ri4 h ALA 12 Ca -0.02 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ri4 h ALA 12 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2ri4 h ALA 12 CO 0.03 -0.21 -0.21 0.00 0.00 0.00 0.00 179.25 178.87 2ri4 h ALA 13 N 1.63 -0.56 0.00 0.00 0.00 0.66 -2.46 119.26 118.52 2ri4 h ALA 13 Ca 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2ri4 h ALA 13 Cb 0.85 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2ri4 h ALA 13 CO -0.44 -0.65 -0.04 2.35 0.00 0.00 0.00 179.25 180.48 2ri4 h TRP 14 N -0.20 0.00 -0.01 0.00 2.91 0.30 -2.73 115.95 116.22 2ri4 h TRP 14 Ca 0.02 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.87 2ri4 h TRP 14 Cb 0.24 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2ri4 h TRP 14 CO -0.55 0.04 -0.77 0.78 -1.03 0.00 0.00 178.44 176.91 2ri4 h GLY 15 N 0.98 0.16 1.87 2.65 0.00 0.75 -2.92 103.07 106.56 2ri4 h GLY 15 Ca -0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 2ri4 h GLY 15 CO 0.00 0.22 -1.09 0.50 0.00 0.00 0.00 176.54 176.17 2ri4 h LYS 16 N 0.09 0.05 0.28 4.80 1.57 -1.16 -3.28 116.57 118.92 2ri4 h LYS 16 Ca -0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2ri4 h LYS 16 Cb 1.35 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2ri4 h LYS 16 CO 0.11 1.02 -0.26 0.28 -0.57 0.00 0.00 179.45 180.03 2ri4 h VAL 17 N 0.01 0.45 0.00 0.50 2.07 -1.48 -3.47 116.25 114.34 2ri4 h VAL 17 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ri4 h VAL 17 Cb 1.82 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2ri4 h VAL 17 CO 0.14 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.34 2ri4 n GLY 18 N -1.38 1.80 0.83 2.17 0.00 -1.11 -2.83 105.19 104.68 2ri4 n GLY 18 Ca -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.34 2ri4 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ri4 n GLY 19 N 0.00 1.86 0.63 -0.02 0.00 -1.26 -2.47 105.19 103.92 2ri4 n GLY 19 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2ri4 n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ri4 n ASN 20 N 0.15 2.41 -0.12 1.61 4.13 -1.13 -4.48 115.26 117.83 2ri4 n ASN 20 Ca 0.07 -1.69 -0.04 0.00 1.68 0.00 0.00 54.58 54.60 2ri4 n ASN 20 Cb 0.48 -0.07 0.03 0.00 -1.54 0.00 0.00 39.78 38.68 2ri4 n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ri4 h ALA 21 N 2.75 0.39 0.20 5.41 0.00 -1.61 0.20 119.26 126.61 2ri4 h ALA 21 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ri4 h ALA 21 Cb 0.64 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2ri4 h ALA 21 CO 0.00 -0.38 -0.33 0.78 0.00 0.00 0.00 179.25 179.32 2ri4 h GLY 22 N 0.12 -1.12 0.99 0.00 0.00 -1.82 0.30 103.07 101.54 2ri4 h GLY 22 Ca 0.20 0.54 0.13 0.00 0.00 0.00 0.00 47.33 48.21 2ri4 h GLY 22 CO -0.33 -0.34 0.38 0.00 0.00 0.00 0.00 176.54 176.25 2ri4 h ALA 23 N -1.07 2.29 0.10 3.60 0.00 -1.72 0.22 119.26 122.69 2ri4 h ALA 23 Ca -0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2ri4 h ALA 23 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ri4 h ALA 23 CO -0.11 -0.61 -1.19 1.88 0.00 0.00 0.00 179.25 179.23 2ri4 h TYR 24 N 0.00 0.46 0.84 0.00 0.05 -0.24 -2.74 116.97 115.34 2ri4 h TYR 24 Ca 0.21 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.63 2ri4 h TYR 24 Cb 0.96 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2ri4 h TYR 24 CO 0.00 1.24 -0.47 0.78 -1.05 0.00 0.00 178.16 178.66 2ri4 h GLY 25 N 1.66 -1.32 -0.27 3.88 0.00 0.28 0.40 103.07 107.70 2ri4 h GLY 25 Ca -0.12 0.52 0.11 0.00 0.00 0.00 0.00 47.33 47.84 2ri4 h GLY 25 CO 0.19 -0.46 -0.25 0.00 0.00 0.00 0.00 176.54 176.02 2ri4 h ALA 26 N -1.13 0.12 -0.40 3.60 0.00 -1.40 0.17 119.26 120.22 2ri4 h ALA 26 Ca -0.11 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2ri4 h ALA 26 Cb 0.96 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2ri4 h ALA 26 CO 0.14 -0.58 0.16 1.49 0.00 0.00 0.00 179.25 180.46 2ri4 h GLU 27 N -0.12 0.60 -0.50 0.00 4.81 -1.02 0.98 114.58 119.33 2ri4 h GLU 27 Ca 0.25 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2ri4 h GLU 27 Cb 0.51 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2ri4 h GLU 27 CO -0.62 0.57 0.31 0.00 -0.73 0.00 0.00 179.01 178.53 2ri4 h ALA 28 N 1.00 0.64 -0.36 2.92 0.00 0.20 0.41 119.26 124.08 2ri4 h ALA 28 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2ri4 h ALA 28 Cb 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2ri4 h ALA 28 CO -0.01 0.03 -0.52 1.25 0.00 0.00 0.00 179.25 180.00 2ri4 h LEU 29 N 0.62 -1.73 -1.56 0.00 6.46 -0.06 0.83 115.31 119.88 2ri4 h LEU 29 Ca 0.20 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 2ri4 h LEU 29 Cb -0.01 0.70 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2ri4 h LEU 29 CO -0.08 -0.38 0.27 -0.08 -0.62 0.00 0.00 178.44 177.55 2ri4 h GLU 30 N -0.39 0.57 -0.26 1.25 4.81 -0.44 -1.34 114.58 118.77 2ri4 h GLU 30 Ca 0.06 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 2ri4 h GLU 30 Cb 0.56 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2ri4 h GLU 30 CO -0.54 0.38 -0.46 0.00 -0.73 0.00 0.00 179.01 177.66 2ri4 h ARG 31 N 0.58 0.68 -0.62 1.92 3.08 0.13 -1.96 114.38 118.19 2ri4 h ARG 31 Ca 0.16 -0.38 0.10 0.00 0.07 0.00 0.00 59.98 59.93 2ri4 h ARG 31 Cb -0.05 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2ri4 h ARG 31 CO -0.03 0.99 0.42 1.98 -1.07 0.00 0.00 179.97 182.26 2ri4 h MET 32 N 0.54 0.41 0.11 0.04 4.05 0.18 -0.82 114.93 119.43 2ri4 h MET 32 Ca 0.03 -0.02 -0.36 0.00 -0.28 0.00 0.00 59.70 59.07 2ri4 h MET 32 Cb 1.00 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 2ri4 h MET 32 CO 0.09 0.27 -2.02 1.19 0.23 0.00 0.00 176.91 176.68 2ri4 n PHE 33 N -4.47 1.14 -0.07 1.39 3.72 -0.99 -1.77 117.46 116.41 2ri4 n PHE 33 Ca 0.10 0.25 -0.12 0.00 -0.05 0.00 0.00 57.45 57.64 2ri4 n PHE 33 Cb 0.38 -1.15 -0.05 0.00 -0.94 0.00 0.00 39.48 37.72 2ri4 n PHE 33 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ri4 h LEU 34 N 0.06 0.36 -0.01 4.37 3.38 -1.30 -3.30 115.31 118.88 2ri4 h LEU 34 Ca -0.43 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2ri4 h LEU 34 Cb 2.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2ri4 h LEU 34 CO 0.07 0.60 0.00 -1.20 0.09 0.00 0.00 178.44 178.01 2ri4 n SER 35 N -4.67 0.21 -2.87 -0.43 7.64 -0.32 -4.39 113.62 108.79 2ri4 n SER 35 Ca -0.04 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.24 2ri4 n SER 35 Cb 0.24 -0.58 0.05 0.00 -1.01 0.00 0.00 64.21 62.92 2ri4 n SER 35 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2ri4 n PHE 36 N -1.70 -1.43 0.25 1.43 3.72 -0.73 -5.01 117.46 113.99 2ri4 n PHE 36 Ca 0.07 -2.71 0.17 0.00 -0.05 0.00 0.00 57.45 54.92 2ri4 n PHE 36 Cb 0.36 0.77 0.88 0.00 -0.94 0.00 0.00 39.48 40.55 2ri4 n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2ri4 h PRO 37 N 2.86 0.00 -0.99 -1.08 0.13 -1.76 0.51 132.00 131.66 2ri4 h PRO 37 Ca -0.06 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.44 2ri4 h PRO 37 Cb 1.09 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.05 2ri4 h PRO 37 CO 0.26 0.00 0.43 1.79 -0.23 0.00 0.00 178.00 180.24 2ri4 h THR 38 N 0.00 0.07 -0.68 1.56 1.35 -1.93 -0.52 112.91 112.75 2ri4 h THR 38 Ca 0.05 -0.02 0.07 0.00 -0.55 0.00 0.00 66.41 65.96 2ri4 h THR 38 Cb 0.33 -0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.69 2ri4 h THR 38 CO -0.00 0.01 0.37 0.71 -0.25 0.00 0.00 175.52 176.36 2ri4 h THR 39 N 0.06 0.94 -0.81 6.82 1.35 -0.29 -0.76 112.91 120.23 2ri4 h THR 39 Ca 0.77 -0.23 0.30 0.00 -0.55 0.00 0.00 66.41 66.69 2ri4 h THR 39 Cb 1.90 0.21 -0.15 0.00 -1.73 0.00 0.00 68.15 68.38 2ri4 h THR 39 CO -0.77 0.12 0.27 0.29 -0.25 0.00 0.00 175.52 175.19 2ri4 n LYS 40 N -4.80 -0.05 0.23 4.72 5.02 -0.20 -0.07 118.16 123.00 2ri4 n LYS 40 Ca 0.09 1.16 0.18 0.00 -2.02 0.00 0.00 58.31 57.72 2ri4 n LYS 40 Cb 0.20 -1.98 0.85 0.00 -0.02 0.00 0.00 35.03 34.08 2ri4 n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2ri4 h THR 41 N 0.00 0.28 -1.78 -0.18 1.35 -1.23 0.78 112.91 112.12 2ri4 h THR 41 Ca 0.61 0.00 -0.77 0.00 -0.55 0.00 0.00 66.41 65.70 2ri4 h THR 41 Cb 1.51 0.77 -0.19 0.00 -1.73 0.00 0.00 68.15 68.51 2ri4 h THR 41 CO -0.68 0.00 1.72 -1.22 -0.25 0.00 0.00 175.52 175.09 2ri4 n TYR 42 N -3.47 2.66 0.00 4.73 4.01 0.90 -4.28 117.16 121.71 2ri4 n TYR 42 Ca 0.01 -2.72 0.00 0.00 -0.16 0.00 0.00 57.90 55.04 2ri4 n TYR 42 Cb 0.37 -1.68 0.00 0.00 -0.31 0.00 0.00 39.34 37.73 2ri4 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ri4 n PHE 43 N 2.35 0.00 1.06 -0.72 0.99 0.27 -5.01 117.46 116.40 2ri4 n PHE 43 Ca 0.42 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.98 2ri4 n PHE 43 Cb 0.32 0.00 0.54 0.00 -1.00 0.00 0.00 39.48 39.34 2ri4 n PHE 43 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2ri4 n PRO 44 N 0.00 0.39 -0.03 -1.08 -0.04 -1.26 -1.19 135.00 131.79 2ri4 n PRO 44 Ca 0.00 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2ri4 n PRO 44 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 2ri4 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ri4 n HIS 45 N -1.21 0.08 -3.68 0.54 1.44 -1.26 -4.87 115.22 106.27 2ri4 n HIS 45 Ca 0.11 -0.04 -0.36 0.00 -2.01 0.00 0.00 57.72 55.43 2ri4 n HIS 45 Cb 0.14 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.17 2ri4 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2ri4 s PHE 46 N -1.92 3.44 0.17 -1.40 0.40 -0.33 -5.07 117.98 113.26 2ri4 s PHE 46 Ca 0.32 0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 56.77 2ri4 s PHE 46 Cb 0.20 -2.20 -0.08 0.00 0.51 0.00 0.00 43.02 41.45 2ri4 s PHE 46 CO 0.31 0.30 1.24 0.34 0.70 0.00 0.00 175.22 178.10 2ri4 s ASP 47 N 0.31 7.03 0.00 1.36 2.15 -1.26 -4.91 116.67 121.35 2ri4 s ASP 47 Ca 0.11 2.25 0.01 0.00 0.43 0.00 0.00 52.55 55.35 2ri4 s ASP 47 Cb -0.12 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2ri4 s ASP 47 CO 0.00 -0.44 0.71 0.18 -0.17 0.00 0.00 175.17 175.45 2ri4 n LEU 48 N 2.78 1.44 -4.76 -1.34 4.77 -1.26 -4.63 117.00 114.00 2ri4 n LEU 48 Ca 0.06 -1.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.27 2ri4 n LEU 48 Cb 0.44 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2ri4 n LEU 48 CO 0.56 0.35 1.16 -1.54 -1.33 0.00 0.00 177.39 176.60 2ri4 n SER 49 N -0.10 3.79 -4.51 -1.43 3.41 -1.26 -4.85 113.62 108.66 2ri4 n SER 49 Ca 0.01 1.20 -0.61 0.00 -0.26 0.00 0.00 58.87 59.21 2ri4 n SER 49 Cb 0.11 -1.61 -0.09 0.00 -0.26 0.00 0.00 64.21 62.37 2ri4 n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2ri4 n HIS 50 N 0.96 1.01 -1.67 7.33 -0.00 -1.26 -0.64 115.22 120.94 2ri4 n HIS 50 Ca 0.04 1.07 -0.07 0.00 0.46 0.00 0.00 57.72 59.22 2ri4 n HIS 50 Cb 0.38 -2.10 -0.02 0.00 -0.12 0.00 0.00 29.99 28.13 2ri4 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ri4 n GLY 51 N 2.32 0.50 3.77 1.57 0.00 -1.26 -5.01 105.19 107.07 2ri4 n GLY 51 Ca 0.23 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2ri4 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ri4 s SER 52 N -2.80 6.06 0.34 1.61 0.15 0.18 -4.94 113.70 114.30 2ri4 s SER 52 Ca 0.00 2.89 0.06 0.00 0.70 0.00 0.00 55.95 59.60 2ri4 s SER 52 Cb 0.00 -2.65 0.71 0.00 -1.71 0.00 0.00 66.02 62.37 2ri4 s SER 52 CO 0.00 -1.05 1.91 0.00 1.20 0.00 0.00 173.24 175.31 2ri4 h ALA 53 N 2.53 1.70 0.02 5.45 0.00 -1.89 -1.35 119.26 125.72 2ri4 h ALA 53 Ca -0.51 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 2ri4 h ALA 53 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ri4 h ALA 53 CO 0.62 0.13 -0.99 1.96 0.00 0.00 0.00 179.25 180.98 2ri4 h GLN 54 N 0.80 0.39 -0.18 0.00 4.20 -1.92 0.36 115.11 118.76 2ri4 h GLN 54 Ca 0.38 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2ri4 h GLN 54 Cb 0.41 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 2ri4 h GLN 54 CO -0.15 1.12 -0.07 0.28 -0.67 0.00 0.00 178.83 179.34 2ri4 h VAL 55 N 0.20 1.30 -0.84 -0.54 2.07 -1.79 0.99 116.25 117.64 2ri4 h VAL 55 Ca -0.09 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2ri4 h VAL 55 Cb 1.64 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 33.01 2ri4 h VAL 55 CO 0.17 0.33 0.55 0.11 0.02 0.00 0.00 177.57 178.74 2ri4 h LYS 56 N 0.06 1.06 -0.48 1.57 1.57 -1.13 -0.83 116.57 118.38 2ri4 h LYS 56 Ca 0.04 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2ri4 h LYS 56 Cb 0.53 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2ri4 h LYS 56 CO 0.02 0.70 0.06 0.78 -0.57 0.00 0.00 179.45 180.45 2ri4 h GLY 57 N 1.09 0.87 1.62 3.86 0.00 0.10 -3.01 103.07 107.60 2ri4 h GLY 57 Ca 0.33 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 2ri4 h GLY 57 CO -0.10 0.55 -0.87 0.84 0.00 0.00 0.00 176.54 176.96 2ri4 h HIS 58 N 0.68 0.00 -0.31 5.60 -0.00 -0.38 -2.84 115.15 117.90 2ri4 h HIS 58 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2ri4 h HIS 58 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 2ri4 h HIS 58 CO 0.03 0.56 0.19 0.78 -0.00 0.00 0.00 177.93 179.49 2ri4 h GLY 59 N 3.55 0.45 -0.42 5.26 0.00 -1.04 0.27 103.07 111.15 2ri4 h GLY 59 Ca -0.06 -0.18 0.14 0.00 0.00 0.00 0.00 47.33 47.22 2ri4 h GLY 59 CO 0.06 0.18 -0.19 0.83 0.00 0.00 0.00 176.54 177.42 2ri4 h GLU 60 N 0.40 -0.01 -0.08 4.80 5.08 -1.42 0.78 114.58 124.13 2ri4 h GLU 60 Ca 0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 2ri4 h GLU 60 Cb -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ri4 h GLU 60 CO -0.02 -0.01 -0.53 0.87 -1.00 0.00 0.00 179.01 178.32 2ri4 h LYS 61 N -0.01 0.22 -0.11 2.33 1.57 -0.89 -0.66 116.57 119.01 2ri4 h LYS 61 Ca 0.33 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2ri4 h LYS 61 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ri4 h LYS 61 CO -0.73 0.69 -0.33 0.28 -0.57 0.00 0.00 179.45 178.80 2ri4 h VAL 62 N 0.17 1.39 -0.53 0.50 2.07 0.03 -2.67 116.25 117.21 2ri4 h VAL 62 Ca 0.00 -1.66 0.11 0.00 0.82 0.00 0.00 66.70 65.97 2ri4 h VAL 62 Cb 0.99 2.16 -0.10 0.00 -1.52 0.00 0.00 31.29 32.81 2ri4 h VAL 62 CO 0.08 0.49 -0.11 0.00 0.02 0.00 0.00 177.57 178.05 2ri4 h ALA 63 N 0.49 0.38 0.00 1.67 0.00 0.70 -2.17 119.26 120.33 2ri4 h ALA 63 Ca -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2ri4 h ALA 63 Cb 0.95 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2ri4 h ALA 63 CO 0.07 -0.43 -0.36 0.00 0.00 0.00 0.00 179.25 178.53 2ri4 h ALA 64 N 1.52 1.33 0.00 0.00 0.00 -1.17 -1.67 119.26 119.27 2ri4 h ALA 64 Ca 0.26 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2ri4 h ALA 64 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2ri4 h ALA 64 CO -0.53 0.45 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 2ri4 h ALA 65 N 1.64 0.89 0.06 0.00 0.00 -1.03 -2.32 119.26 118.50 2ri4 h ALA 65 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2ri4 h ALA 65 Cb 0.66 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ri4 h ALA 65 CO 0.05 0.25 -0.55 -0.07 0.00 0.00 0.00 179.25 178.93 2ri4 h LEU 66 N 0.00 0.37 -0.73 0.00 3.38 -1.12 -1.16 115.31 116.07 2ri4 h LEU 66 Ca -0.00 -0.88 0.14 0.00 0.09 0.00 0.00 57.88 57.22 2ri4 h LEU 66 Cb 1.07 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 2ri4 h LEU 66 CO 0.03 1.22 -0.25 0.74 0.09 0.00 0.00 178.44 180.27 2ri4 h THR 67 N -0.42 0.20 0.07 0.22 2.02 -1.27 0.99 112.91 114.72 2ri4 h THR 67 Ca -0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.12 2ri4 h THR 67 Cb 1.36 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 2ri4 h THR 67 CO 0.10 0.00 -0.31 0.50 0.37 0.00 0.00 175.52 176.19 2ri4 h LYS 68 N -0.05 -0.48 -0.49 6.66 3.64 -1.45 -2.60 116.57 121.80 2ri4 h LYS 68 Ca 0.33 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 2ri4 h LYS 68 Cb 0.56 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 2ri4 h LYS 68 CO -0.77 -0.32 0.33 0.00 -2.27 0.00 0.00 179.45 176.42 2ri4 h ALA 69 N 0.20 1.82 -0.32 5.00 0.00 0.76 -3.06 119.26 123.66 2ri4 h ALA 69 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2ri4 h ALA 69 Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ri4 h ALA 69 CO -0.22 0.11 -0.42 0.28 0.00 0.00 0.00 179.25 179.00 2ri4 h VAL 70 N 0.51 1.28 -3.54 0.00 2.07 0.12 -3.29 116.25 113.39 2ri4 h VAL 70 Ca 0.20 -1.60 -0.73 0.00 0.82 0.00 0.00 66.70 65.38 2ri4 h VAL 70 Cb 0.17 1.54 -0.32 0.00 -1.52 0.00 0.00 31.29 31.16 2ri4 h VAL 70 CO -0.05 0.53 -0.07 -0.83 0.02 0.00 0.00 177.57 177.16 2ri4 s GLY 71 N -3.85 2.82 0.00 2.17 0.00 -1.06 -3.87 107.32 103.53 2ri4 s GLY 71 Ca -0.11 -3.54 0.00 0.00 0.00 0.00 0.00 44.72 41.07 2ri4 s GLY 71 CO 0.87 1.20 0.00 1.42 0.00 0.00 0.00 173.10 176.59 2ri4 n HIS 72 N 3.12 0.00 0.08 1.90 -0.00 -1.26 -4.90 115.22 114.16 2ri4 n HIS 72 Ca 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.96 2ri4 n HIS 72 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.35 2ri4 n HIS 72 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2ri4 n LEU 73 N 0.00 0.79 0.28 2.41 0.00 -1.24 -4.06 117.00 115.18 2ri4 n LEU 73 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 56.01 56.21 2ri4 n LEU 73 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 43.42 43.35 2ri4 n LEU 73 CO 0.00 -0.08 0.52 0.44 0.00 0.00 0.00 177.39 178.27 2ri4 h ASP 74 N 0.00 -0.69 -3.74 1.96 3.32 -1.91 -3.42 116.42 111.94 2ri4 h ASP 74 Ca -0.05 0.03 -0.66 0.00 0.02 0.00 0.00 57.03 56.37 2ri4 h ASP 74 Cb 1.16 0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.71 2ri4 h ASP 74 CO 0.01 -0.45 -0.52 -0.62 -1.72 0.00 0.00 179.24 175.94 2ri4 s ASP 75 N -3.19 5.85 -0.17 6.45 2.15 -1.26 -4.92 116.67 121.58 2ri4 s ASP 75 Ca -0.11 -0.33 -0.13 0.00 0.43 0.00 0.00 52.55 52.41 2ri4 s ASP 75 Cb 0.01 -2.08 -0.07 0.00 -0.30 0.00 0.00 42.92 40.48 2ri4 s ASP 75 CO 0.34 -0.16 -0.29 0.18 -0.17 0.00 0.00 175.17 175.07 2ri4 n LEU 76 N 5.05 1.70 0.00 -1.34 4.77 -1.26 -3.71 117.00 122.20 2ri4 n LEU 76 Ca -0.14 0.29 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2ri4 n LEU 76 Cb 0.50 -0.66 0.12 0.00 -2.33 0.00 0.00 43.42 41.05 2ri4 n LEU 76 CO 0.35 -0.03 0.48 -0.81 -1.33 0.00 0.00 177.39 176.05 2ri4 n PRO 77 N -4.17 0.08 0.00 3.23 -0.04 -1.26 -2.19 135.00 130.65 2ri4 n PRO 77 Ca -0.25 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2ri4 n PRO 77 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2ri4 n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ri4 n GLY 78 N -0.87 -1.30 0.00 0.55 0.00 -1.26 -3.66 105.19 98.66 2ri4 n GLY 78 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 2ri4 n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ri4 n THR 79 N -0.32 0.00 -0.45 2.61 5.66 -0.93 -1.88 114.28 118.97 2ri4 n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ri4 n THR 79 Cb 0.00 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 2ri4 n THR 79 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2ri4 n LEU 80 N -0.69 1.20 -0.27 1.09 4.77 -1.06 -4.70 117.00 117.34 2ri4 n LEU 80 Ca 0.09 -1.24 0.12 0.00 -0.03 0.00 0.00 56.01 54.95 2ri4 n LEU 80 Cb 0.04 -0.01 0.38 0.00 -2.33 0.00 0.00 43.42 41.50 2ri4 n LEU 80 CO 0.07 0.31 1.22 0.77 -1.33 0.00 0.00 177.39 178.42 2ri4 h SER 81 N 0.00 0.65 0.75 -1.43 4.64 -1.44 0.49 113.55 117.21 2ri4 h SER 81 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2ri4 h SER 81 Cb 0.72 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2ri4 h SER 81 CO 0.00 0.33 0.00 -2.24 -0.87 0.00 0.00 176.83 174.05 2ri4 h ASP 82 N 0.68 0.00 0.12 4.97 2.03 -1.84 -2.80 116.42 119.58 2ri4 h ASP 82 Ca 0.45 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.39 2ri4 h ASP 82 Cb 0.73 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.17 2ri4 h ASP 82 CO -0.20 0.00 -2.20 0.18 -1.03 0.00 0.00 179.24 175.99 2ri4 n LEU 83 N -2.42 1.70 0.00 0.15 4.77 0.15 -3.43 117.00 117.91 2ri4 n LEU 83 Ca 0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2ri4 n LEU 83 Cb 0.24 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2ri4 n LEU 83 CO 0.21 0.70 0.50 -1.20 -1.33 0.00 0.00 177.39 176.26 2ri4 n SER 84 N -3.13 0.00 0.00 -1.43 7.64 0.19 -0.31 113.62 116.58 2ri4 n SER 84 Ca -0.34 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2ri4 n SER 84 Cb 1.06 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2ri4 n SER 84 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ri4 n ASP 85 N -2.45 0.00 0.05 6.43 9.92 -1.06 0.16 116.55 129.60 2ri4 n ASP 85 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2ri4 n ASP 85 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 2ri4 n ASP 85 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2ri4 h LEU 86 N 0.00 -0.48 0.07 0.64 5.85 -1.52 -0.16 115.31 119.70 2ri4 h LEU 86 Ca 0.00 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 2ri4 h LEU 86 Cb 0.00 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2ri4 h LEU 86 CO 0.00 -0.22 -0.77 0.45 -0.34 0.00 0.00 178.44 177.56 2ri4 h HIS 87 N -0.26 0.26 0.06 1.25 3.86 0.25 0.02 115.15 120.60 2ri4 h HIS 87 Ca 0.06 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2ri4 h HIS 87 Cb 0.34 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2ri4 h HIS 87 CO -0.23 1.30 -0.03 0.00 0.86 0.00 0.00 177.93 179.83 2ri4 h ALA 88 N -0.06 -0.72 0.24 2.45 0.00 0.41 -0.50 119.26 121.07 2ri4 h ALA 88 Ca -0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ri4 h ALA 88 Cb 1.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2ri4 h ALA 88 CO 0.03 -0.71 -0.12 1.25 0.00 0.00 0.00 179.25 179.70 2ri4 h HIS 89 N -0.11 -0.30 0.19 0.00 -0.00 -0.97 -1.93 115.15 112.03 2ri4 h HIS 89 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2ri4 h HIS 89 Cb 0.06 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2ri4 h HIS 89 CO 0.15 0.04 -0.09 -0.22 -0.00 0.00 0.00 177.93 177.80 2ri4 h LYS 90 N -0.96 -0.25 0.00 5.26 3.64 -1.28 -3.32 116.57 119.66 2ri4 h LYS 90 Ca -0.03 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2ri4 h LYS 90 Cb 0.47 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2ri4 h LYS 90 CO 0.05 -0.11 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.99 2ri4 h LEU 91 N -1.06 0.00 1.47 5.20 3.38 -1.17 -3.46 115.31 119.67 2ri4 h LEU 91 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 2ri4 h LEU 91 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2ri4 h LEU 91 CO 0.04 0.06 -0.48 -1.14 0.09 0.00 0.00 178.44 177.02 2ri4 n ARG 92 N -3.18 -3.17 -1.69 1.13 3.00 -0.73 -4.84 116.66 107.19 2ri4 n ARG 92 Ca 0.01 0.62 -0.45 0.00 -0.00 0.00 0.00 57.85 58.03 2ri4 n ARG 92 Cb 0.36 -5.31 -0.04 0.00 0.00 0.00 0.00 32.46 27.47 2ri4 n ARG 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2ri4 n VAL 93 N -3.84 0.11 -2.20 5.15 0.31 -0.25 -4.94 118.33 112.67 2ri4 n VAL 93 Ca -0.09 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.80 2ri4 n VAL 93 Cb 0.59 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 2ri4 n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ri4 s ASP 94 N 0.92 6.88 0.00 4.52 -1.08 -1.26 -4.85 116.67 121.80 2ri4 s ASP 94 Ca 0.76 2.44 0.28 0.00 -0.52 0.00 0.00 52.55 55.51 2ri4 s ASP 94 Cb -0.62 -2.61 1.42 0.00 -1.46 0.00 0.00 42.92 39.64 2ri4 s ASP 94 CO 0.38 -0.53 1.95 -0.81 0.52 0.00 0.00 175.17 176.68 2ri4 n PRO 95 N 2.42 0.43 0.17 4.34 -0.04 -1.26 -2.16 135.00 138.90 2ri4 n PRO 95 Ca 0.05 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2ri4 n PRO 95 Cb 0.43 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.73 2ri4 n PRO 95 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2ri4 h VAL 96 N 0.00 1.26 0.00 0.52 -1.51 -2.01 -2.54 116.25 111.97 2ri4 h VAL 96 Ca 0.00 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2ri4 h VAL 96 Cb 0.24 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2ri4 h VAL 96 CO 0.00 0.36 0.00 0.78 -1.23 0.00 0.00 177.57 177.48 2ri4 h ASN 97 N 0.05 0.00 0.38 4.19 4.21 -1.83 -2.17 115.58 120.41 2ri4 h ASN 97 Ca 0.00 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.20 2ri4 h ASN 97 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 2ri4 h ASN 97 CO 0.05 0.00 -1.56 -0.26 -1.29 0.00 0.00 177.43 174.37 2ri4 h PHE 98 N 0.00 0.59 -0.97 1.19 0.04 -1.63 0.37 116.94 116.54 2ri4 h PHE 98 Ca 0.00 -0.43 0.05 0.00 2.80 0.00 0.00 57.97 60.39 2ri4 h PHE 98 Cb 0.28 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 2ri4 h PHE 98 CO 0.00 1.47 0.63 0.87 -0.60 0.00 0.00 178.31 180.68 2ri4 h LYS 99 N 0.09 1.13 -0.12 1.51 1.57 -1.54 0.24 116.57 119.45 2ri4 h LYS 99 Ca -0.26 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 2ri4 h LYS 99 Cb 2.05 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 2ri4 h LYS 99 CO 0.18 0.75 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.63 2ri4 h LEU 100 N 1.17 0.31 -0.69 2.94 3.38 -1.06 -0.96 115.31 120.39 2ri4 h LEU 100 Ca 0.41 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2ri4 h LEU 100 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2ri4 h LEU 100 CO -0.15 0.72 -0.59 0.25 0.09 0.00 0.00 178.44 178.76 2ri4 h LEU 101 N -0.10 0.00 0.04 1.67 5.85 -0.77 -2.72 115.31 119.28 2ri4 h LEU 101 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2ri4 h LEU 101 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2ri4 h LEU 101 CO 0.03 0.59 -0.02 0.77 -0.34 0.00 0.00 178.44 179.47 2ri4 h SER 102 N 0.00 -0.05 -0.82 1.25 4.64 -0.50 -2.88 113.55 115.20 2ri4 h SER 102 Ca -0.01 -0.58 0.13 0.00 -0.47 0.00 0.00 61.79 60.86 2ri4 h SER 102 Cb 1.13 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 2ri4 h SER 102 CO 0.08 0.59 -0.32 1.57 -0.87 0.00 0.00 176.83 177.87 2ri4 n HIS 103 N -4.81 0.02 0.02 4.77 -0.00 -0.37 -1.66 115.22 113.19 2ri4 n HIS 103 Ca -0.09 1.01 0.02 0.00 -0.00 0.00 0.00 57.72 58.67 2ri4 n HIS 103 Cb 0.31 -0.80 0.38 0.00 -0.00 0.00 0.00 29.99 29.88 2ri4 n HIS 103 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2ri4 h SER 104 N 0.00 0.43 -0.21 0.26 0.02 -1.39 0.38 113.55 113.05 2ri4 h SER 104 Ca 0.28 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 2ri4 h SER 104 Cb 0.49 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2ri4 h SER 104 CO -0.81 0.41 -0.29 -0.07 -1.14 0.00 0.00 176.83 174.93 2ri4 h LEU 105 N 0.48 0.62 -1.02 5.07 3.38 -1.10 -0.65 115.31 122.09 2ri4 h LEU 105 Ca 0.12 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.71 2ri4 h LEU 105 Cb 0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 2ri4 h LEU 105 CO -0.01 1.01 0.63 -0.07 0.09 0.00 0.00 178.44 180.09 2ri4 h LEU 106 N 0.25 0.89 0.39 1.67 3.38 -0.44 0.29 115.31 121.74 2ri4 h LEU 106 Ca 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2ri4 h LEU 106 Cb 0.87 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ri4 h LEU 106 CO 0.07 0.45 -0.19 0.58 0.09 0.00 0.00 178.44 179.44 2ri4 h VAL 107 N 0.95 0.00 -0.92 1.22 2.07 -0.66 -1.78 116.25 117.12 2ri4 h VAL 107 Ca 0.51 -0.03 0.27 0.00 0.82 0.00 0.00 66.70 68.27 2ri4 h VAL 107 Cb 0.57 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.19 2ri4 h VAL 107 CO -0.28 0.00 0.32 0.74 0.02 0.00 0.00 177.57 178.37 2ri4 h THR 108 N -0.56 0.28 0.56 2.57 2.02 -0.75 -1.24 112.91 115.80 2ri4 h THR 108 Ca -0.05 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2ri4 h THR 108 Cb 0.40 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2ri4 h THR 108 CO 0.09 0.04 -0.27 -0.07 0.37 0.00 0.00 175.52 175.68 2ri4 h LEU 109 N 0.22 -0.63 -1.02 2.58 -0.00 -0.34 -1.65 115.31 114.46 2ri4 h LEU 109 Ca 0.61 0.02 0.39 0.00 -0.00 0.00 0.00 57.88 58.91 2ri4 h LEU 109 Cb 1.31 0.16 -0.14 0.00 -0.00 0.00 0.00 40.66 41.99 2ri4 h LEU 109 CO -0.67 -0.42 0.60 0.00 -0.00 0.00 0.00 178.44 177.96 2ri4 n ALA 110 N -2.43 1.03 0.15 1.53 0.00 -0.53 0.17 120.51 120.44 2ri4 n ALA 110 Ca -0.09 0.84 0.09 0.00 0.00 0.00 0.00 53.44 54.28 2ri4 n ALA 110 Cb 0.30 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 18.90 2ri4 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 n HIS 112 N -2.97 0.00 -2.86 0.00 8.25 0.45 -4.76 115.22 113.33 2ri4 n HIS 112 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2ri4 n HIS 112 Cb 0.60 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.55 2ri4 n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ri4 n LEU 113 N -1.72 1.36 -0.23 2.41 4.77 0.53 -4.98 117.00 119.14 2ri4 n LEU 113 Ca 0.01 -4.27 0.03 0.00 -0.03 0.00 0.00 56.01 51.74 2ri4 n LEU 113 Cb 0.36 0.50 0.15 0.00 -2.33 0.00 0.00 43.42 42.10 2ri4 n LEU 113 CO 0.37 1.87 0.99 1.55 -1.33 0.00 0.00 177.39 180.84 2ri4 h PRO 114 N 2.99 0.39 -0.18 3.23 0.13 -1.78 -0.42 132.00 136.36 2ri4 h PRO 114 Ca -0.01 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 2ri4 h PRO 114 Cb 1.08 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2ri4 h PRO 114 CO 0.52 0.26 -0.43 -0.91 -0.23 0.00 0.00 178.00 177.20 2ri4 h ASN 115 N 0.40 0.46 1.20 1.44 2.35 -1.94 -3.09 115.58 116.41 2ri4 h ASN 115 Ca 0.36 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2ri4 h ASN 115 Cb 0.52 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2ri4 h ASN 115 CO -0.38 0.84 -0.39 0.44 -1.65 0.00 0.00 177.43 176.29 2ri4 h ASP 116 N 0.36 0.00 -1.96 5.81 3.32 -1.79 -3.42 116.42 118.73 2ri4 h ASP 116 Ca 0.03 -0.10 -0.76 0.00 0.02 0.00 0.00 57.03 56.22 2ri4 h ASP 116 Cb 0.90 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.27 2ri4 h ASP 116 CO 0.08 0.05 1.56 0.33 -1.72 0.00 0.00 179.24 179.54 2ri4 n PHE 117 N -2.33 3.61 -2.23 4.55 7.35 -0.23 -4.88 117.46 123.30 2ri4 n PHE 117 Ca 0.04 -3.01 -0.26 0.00 -0.76 0.00 0.00 57.45 53.46 2ri4 n PHE 117 Cb 0.46 -1.91 0.10 0.00 0.35 0.00 0.00 39.48 38.47 2ri4 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2ri4 s THR 118 N 0.20 2.20 0.32 -2.13 -4.23 -1.26 -4.92 115.64 105.81 2ri4 s THR 118 Ca 0.39 -0.29 0.35 0.00 -1.18 0.00 0.00 61.69 60.97 2ri4 s THR 118 Cb 0.04 -2.92 0.39 0.00 1.34 0.00 0.00 72.50 71.35 2ri4 s THR 118 CO 0.01 0.00 2.10 -0.65 -0.54 0.00 0.00 174.62 175.54 2ri4 h PRO 119 N -0.77 0.00 0.17 3.99 0.11 -1.99 -2.66 132.00 130.85 2ri4 h PRO 119 Ca -0.43 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.35 2ri4 h PRO 119 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 2ri4 h PRO 119 CO 0.52 0.03 -1.65 0.00 -0.21 0.00 0.00 178.00 176.69 2ri4 h ALA 120 N 1.97 0.15 0.00 -0.75 0.00 -1.97 -2.88 119.26 115.77 2ri4 h ALA 120 Ca -0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 54.91 53.75 2ri4 h ALA 120 Cb 0.35 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2ri4 h ALA 120 CO 0.00 0.95 -0.22 0.28 0.00 0.00 0.00 179.25 180.27 2ri4 h VAL 121 N -0.00 0.54 0.14 0.00 2.07 -1.90 -2.90 116.25 114.20 2ri4 h VAL 121 Ca -0.33 -1.11 -0.29 0.00 0.82 0.00 0.00 66.70 65.79 2ri4 h VAL 121 Cb 2.01 1.76 0.02 0.00 -1.52 0.00 0.00 31.29 33.56 2ri4 h VAL 121 CO 0.15 0.21 -1.25 -0.74 0.02 0.00 0.00 177.57 175.96 2ri4 h HIS 122 N 0.00 0.74 0.71 1.57 6.17 -1.52 -0.93 115.15 121.89 2ri4 h HIS 122 Ca -0.00 -0.50 -0.03 0.00 0.71 0.00 0.00 60.37 60.55 2ri4 h HIS 122 Cb 0.74 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.62 2ri4 h HIS 122 CO 0.00 1.37 -0.43 0.00 0.71 0.00 0.00 177.93 179.58 2ri4 h ALA 123 N 0.44 -1.10 -2.95 5.26 0.00 -1.41 -2.66 119.26 116.83 2ri4 h ALA 123 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ri4 h ALA 123 Cb 1.94 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.26 2ri4 h ALA 123 CO 0.22 -1.14 0.00 0.43 0.00 0.00 0.00 179.25 178.77 2ri4 n SER 124 N -5.57 0.00 -0.13 0.00 7.64 -1.11 -0.83 113.62 113.63 2ri4 n SER 124 Ca -0.14 0.45 0.12 0.00 1.01 0.00 0.00 58.87 60.31 2ri4 n SER 124 Cb 0.45 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.87 2ri4 n SER 124 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ri4 n LEU 125 N -0.90 0.11 0.10 -3.43 4.77 -0.36 0.17 117.00 117.47 2ri4 n LEU 125 Ca 0.00 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.33 2ri4 n LEU 125 Cb 0.00 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2ri4 n LEU 125 CO 0.00 -0.64 -0.08 -0.78 -1.33 0.00 0.00 177.39 174.56 2ri4 h ASP 126 N 0.00 0.80 -0.56 -1.43 3.58 -0.95 -1.38 116.42 116.48 2ri4 h ASP 126 Ca 0.31 -0.86 -0.05 0.00 0.42 0.00 0.00 57.03 56.84 2ri4 h ASP 126 Cb 0.85 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2ri4 h ASP 126 CO -0.25 1.59 0.17 0.11 -2.88 0.00 0.00 179.24 177.98 2ri4 h LYS 127 N 0.13 0.91 0.00 0.28 1.57 0.38 -1.81 116.57 118.04 2ri4 h LYS 127 Ca -0.20 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2ri4 h LYS 127 Cb 1.91 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2ri4 h LYS 127 CO 0.23 0.80 0.00 0.34 -0.57 0.00 0.00 179.45 180.25 2ri4 n PHE 128 N -4.27 0.00 -0.30 -1.35 7.35 0.46 -2.04 117.46 117.31 2ri4 n PHE 128 Ca 0.05 0.00 0.28 0.00 -0.76 0.00 0.00 57.45 57.02 2ri4 n PHE 128 Cb 0.22 -0.44 0.52 0.00 0.35 0.00 0.00 39.48 40.13 2ri4 n PHE 128 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2ri4 n LEU 129 N -1.83 0.28 -0.10 -2.13 4.77 -0.53 0.66 117.00 118.13 2ri4 n LEU 129 Ca 0.00 1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 57.44 2ri4 n LEU 129 Cb 0.00 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 2ri4 n LEU 129 CO 0.00 -1.71 0.64 0.00 -1.33 0.00 0.00 177.39 174.99 2ri4 h ALA 130 N 1.85 -0.22 0.27 -1.18 0.00 -0.72 -2.52 119.26 116.74 2ri4 h ALA 130 Ca 0.77 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.75 2ri4 h ALA 130 Cb 2.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 20.49 2ri4 h ALA 130 CO -0.73 -0.74 -0.13 -0.91 0.00 0.00 0.00 179.25 176.74 2ri4 h ASN 131 N -0.27 -0.30 -1.52 0.00 2.35 0.83 -1.56 115.58 115.10 2ri4 h ASN 131 Ca 0.16 -0.06 0.45 0.00 -0.55 0.00 0.00 56.30 56.30 2ri4 h ASN 131 Cb 0.54 0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 2ri4 h ASN 131 CO -0.51 -0.13 1.08 0.52 -1.65 0.00 0.00 177.43 176.74 2ri4 n VAL 132 N -5.20 -0.03 0.11 2.81 0.31 -0.81 0.19 118.33 115.70 2ri4 n VAL 132 Ca -0.10 1.23 0.05 0.00 -0.01 0.00 0.00 64.34 65.51 2ri4 n VAL 132 Cb 0.20 -2.04 -0.08 0.00 -0.91 0.00 0.00 33.84 31.01 2ri4 n VAL 132 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2ri4 n SER 133 N -3.65 2.09 0.08 4.52 3.41 -0.98 -1.98 113.62 117.11 2ri4 n SER 133 Ca 0.35 -0.17 -0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2ri4 n SER 133 Cb 1.57 1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 66.80 2ri4 n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ri4 h THR 134 N 0.00 1.64 0.35 6.66 1.03 0.30 -2.88 112.91 120.01 2ri4 h THR 134 Ca 0.00 -3.19 -0.02 0.00 -0.01 0.00 0.00 66.41 63.19 2ri4 h THR 134 Cb 0.43 2.78 0.00 0.00 -1.07 0.00 0.00 68.15 70.29 2ri4 h THR 134 CO 0.00 0.92 -0.17 0.58 -0.01 0.00 0.00 175.52 176.84 2ri4 h VAL 135 N 0.02 0.00 0.00 0.00 2.07 -0.05 -2.19 116.25 116.10 2ri4 h VAL 135 Ca -0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2ri4 h VAL 135 Cb 1.73 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2ri4 h VAL 135 CO 0.14 0.00 0.72 -0.07 0.02 0.00 0.00 177.57 178.38 2ri4 h LEU 136 N -0.61 0.00 -0.89 2.57 3.38 -1.47 -0.10 115.31 118.19 2ri4 h LEU 136 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ri4 h LEU 136 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ri4 h LEU 136 CO 0.08 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 178.92 2ri4 n THR 137 N -2.55 0.00 -0.06 0.22 -2.24 -1.09 -0.59 114.28 107.97 2ri4 n THR 137 Ca -0.01 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.27 2ri4 n THR 137 Cb 0.73 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 70.02 2ri4 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2ri4 h SER 138 N 0.63 0.00 -0.02 3.42 4.64 -0.33 -3.45 113.55 118.44 2ri4 h SER 138 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2ri4 h SER 138 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2ri4 h SER 138 CO 0.00 0.60 0.00 0.29 -0.87 0.00 0.00 176.83 176.85