#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 s LEU 2 N 0.00 -0.73 0.00 6.55 0.05 -1.26 -5.02 118.68 118.27 2ri4 s LEU 2 Ca 0.00 0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.27 2ri4 s LEU 2 Cb 0.00 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 45.60 2ri4 s LEU 2 CO 0.00 -0.13 0.00 -1.20 -0.55 0.00 0.00 176.35 174.47 2ri4 n SER 3 N 5.20 0.00 0.00 1.48 7.64 -1.26 -4.02 113.62 122.66 2ri4 n SER 3 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2ri4 n SER 3 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.01 0.00 -0.06 -0.43 0.00 -1.26 -4.84 120.51 112.90 2ri4 n ALA 4 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ri4 n ALA 4 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2ri4 n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 h ALA 5 N 0.00 -0.00 -0.15 0.00 0.00 -1.99 -3.12 119.26 113.99 2ri4 h ALA 5 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2ri4 h ALA 5 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2ri4 h ALA 5 CO 0.00 -0.03 -0.27 -0.44 0.00 0.00 0.00 179.25 178.52 2ri4 h ASP 6 N -0.96 -0.83 -0.43 0.00 3.32 -1.89 0.62 116.42 116.25 2ri4 h ASP 6 Ca -0.00 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.26 2ri4 h ASP 6 Cb 0.89 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.71 2ri4 h ASP 6 CO 0.00 -0.31 -0.32 0.11 -1.72 0.00 0.00 179.24 177.00 2ri4 h LYS 7 N -0.33 -0.23 -0.35 3.56 1.57 -1.70 0.94 116.57 120.04 2ri4 h LYS 7 Ca 0.11 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2ri4 h LYS 7 Cb 0.49 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2ri4 h LYS 7 CO -0.34 -0.15 0.06 0.66 -0.57 0.00 0.00 179.45 179.12 2ri4 h SER 8 N -0.24 0.54 -0.46 0.86 4.64 -1.43 0.73 113.55 118.20 2ri4 h SER 8 Ca 0.18 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2ri4 h SER 8 Cb 0.54 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.42 2ri4 h SER 8 CO -0.56 0.66 -0.38 0.78 -0.87 0.00 0.00 176.83 176.46 2ri4 h ASN 9 N 0.41 -1.32 -0.90 4.97 -0.26 0.28 0.28 115.58 119.03 2ri4 h ASN 9 Ca 0.11 0.19 0.04 0.00 -0.56 0.00 0.00 56.30 56.08 2ri4 h ASN 9 Cb 0.34 0.56 -0.05 0.00 -1.06 0.00 0.00 38.32 38.11 2ri4 h ASN 9 CO 0.01 -0.21 0.59 0.58 -1.06 0.00 0.00 177.43 177.33 2ri4 h VAL 10 N -0.14 1.13 -0.66 2.81 2.07 0.11 0.43 116.25 122.00 2ri4 h VAL 10 Ca 0.08 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.31 2ri4 h VAL 10 Cb 0.33 -0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 2ri4 h VAL 10 CO -0.50 0.20 0.29 0.11 0.02 0.00 0.00 177.57 177.69 2ri4 h LYS 11 N 1.10 0.49 0.04 1.57 6.56 0.13 -2.57 116.57 123.89 2ri4 h LYS 11 Ca 0.37 -0.03 -0.25 0.00 -1.06 0.00 0.00 60.65 59.67 2ri4 h LYS 11 Cb 0.07 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 2ri4 h LYS 11 CO -0.12 0.32 -1.28 0.00 -2.06 0.00 0.00 179.45 176.32 2ri4 h ALA 12 N 1.42 0.38 -0.44 3.86 0.00 0.34 -2.10 119.26 122.73 2ri4 h ALA 12 Ca 0.33 -1.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 2ri4 h ALA 12 Cb 0.38 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ri4 h ALA 12 CO -0.29 1.26 0.00 0.00 0.00 0.00 0.00 179.25 180.22 2ri4 h ALA 13 N 0.84 0.59 -0.06 0.00 0.00 -1.03 -3.08 119.26 116.52 2ri4 h ALA 13 Ca -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2ri4 h ALA 13 Cb 1.89 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2ri4 h ALA 13 CO 0.14 0.37 -0.05 2.35 0.00 0.00 0.00 179.25 182.06 2ri4 h TRP 14 N 0.61 0.17 -0.57 0.00 2.91 -1.47 -2.47 115.95 115.14 2ri4 h TRP 14 Ca 0.12 -0.05 0.12 0.00 1.13 0.00 0.00 58.89 60.21 2ri4 h TRP 14 Cb 0.48 -0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 28.99 2ri4 h TRP 14 CO 0.04 0.57 -0.07 0.78 -1.03 0.00 0.00 178.44 178.73 2ri4 h GLY 15 N -0.27 0.51 1.45 2.65 0.00 -1.47 0.61 103.07 106.55 2ri4 h GLY 15 Ca 0.01 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.51 2ri4 h GLY 15 CO 0.01 -0.20 0.30 0.50 0.00 0.00 0.00 176.54 177.15 2ri4 h LYS 16 N 0.05 0.46 -0.43 4.80 1.79 -1.57 -1.89 116.57 119.78 2ri4 h LYS 16 Ca 0.29 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.63 2ri4 h LYS 16 Cb 0.45 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2ri4 h LYS 16 CO -0.54 0.30 -0.15 0.28 -1.08 0.00 0.00 179.45 178.27 2ri4 h VAL 17 N 0.47 1.26 0.00 0.50 2.07 0.54 -3.45 116.25 117.64 2ri4 h VAL 17 Ca 0.18 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2ri4 h VAL 17 Cb 0.13 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2ri4 h VAL 17 CO -0.04 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.58 2ri4 n GLY 18 N -0.36 2.86 0.05 2.17 0.00 0.72 -1.54 105.19 109.09 2ri4 n GLY 18 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.71 0.32 -0.02 0.00 -1.26 -3.03 105.19 100.49 2ri4 n GLY 19 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.45 1.74 0.24 1.61 3.02 -0.59 -4.41 115.26 116.43 2ri4 n ASN 20 Ca 0.00 -1.38 0.17 0.00 -0.03 0.00 0.00 54.58 53.33 2ri4 n ASN 20 Cb 0.03 -0.01 0.87 0.00 -0.61 0.00 0.00 39.78 40.05 2ri4 n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ri4 h ALA 21 N 1.52 1.68 0.60 5.41 0.00 -1.61 0.40 119.26 127.26 2ri4 h ALA 21 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2ri4 h ALA 21 Cb 0.36 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ri4 h ALA 21 CO 0.00 -0.19 -0.29 0.78 0.00 0.00 0.00 179.25 179.55 2ri4 h GLY 22 N 0.00 -0.84 1.25 0.00 0.00 -1.86 0.06 103.07 101.68 2ri4 h GLY 22 Ca 0.05 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 2ri4 h GLY 22 CO -0.00 -0.31 0.40 0.00 0.00 0.00 0.00 176.54 176.63 2ri4 h ALA 23 N -1.44 1.35 0.00 3.60 0.00 -1.71 -1.61 119.26 119.46 2ri4 h ALA 23 Ca -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ri4 h ALA 23 Cb 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ri4 h ALA 23 CO 0.14 0.54 -0.09 1.88 0.00 0.00 0.00 179.25 181.71 2ri4 h TYR 24 N 1.00 0.00 0.04 0.00 -1.99 -0.91 -0.37 116.97 114.74 2ri4 h TYR 24 Ca 0.26 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.74 2ri4 h TYR 24 Cb 0.01 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.75 2ri4 h TYR 24 CO 0.01 0.09 -1.05 0.78 -0.00 0.00 0.00 178.16 177.99 2ri4 h GLY 25 N 0.29 0.47 1.45 3.88 0.00 -0.03 -0.46 103.07 108.68 2ri4 h GLY 25 Ca -0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 47.33 46.20 2ri4 h GLY 25 CO 0.01 0.81 -0.86 0.00 0.00 0.00 0.00 176.54 176.49 2ri4 h ALA 26 N 0.64 0.39 -0.24 3.60 0.00 -0.82 -2.59 119.26 120.24 2ri4 h ALA 26 Ca -0.11 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.03 2ri4 h ALA 26 Cb 1.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ri4 h ALA 26 CO 0.18 0.76 -0.30 1.49 0.00 0.00 0.00 179.25 181.38 2ri4 h GLU 27 N 0.32 0.63 -0.74 0.00 4.81 -1.03 0.79 114.58 119.36 2ri4 h GLU 27 Ca -0.07 -0.35 0.10 0.00 -0.13 0.00 0.00 59.36 58.90 2ri4 h GLU 27 Cb 1.48 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.82 2ri4 h GLU 27 CO 0.16 0.96 0.38 0.00 -0.73 0.00 0.00 179.01 179.78 2ri4 h ALA 28 N 0.66 1.03 0.35 2.92 0.00 -1.13 1.37 119.26 124.46 2ri4 h ALA 28 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ri4 h ALA 28 Cb 0.88 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ri4 h ALA 28 CO 0.07 -0.02 -0.24 -0.07 0.00 0.00 0.00 179.25 178.99 2ri4 h LEU 29 N 0.64 -0.61 -0.99 0.00 3.38 -1.20 0.49 115.31 117.02 2ri4 h LEU 29 Ca 0.36 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.57 2ri4 h LEU 29 Cb 0.38 0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.12 2ri4 h LEU 29 CO -0.27 -0.35 -0.22 -0.62 0.09 0.00 0.00 178.44 177.07 2ri4 n GLU 30 N -3.77 -0.09 -0.15 1.13 1.02 0.25 0.23 120.64 119.26 2ri4 n GLU 30 Ca -0.07 1.53 -0.06 0.00 -0.02 0.00 0.00 57.16 58.55 2ri4 n GLU 30 Cb 0.24 -2.30 0.03 0.00 -0.02 0.00 0.00 31.44 29.39 2ri4 n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ri4 h ARG 31 N 0.00 0.48 -0.08 3.49 3.08 0.23 -2.86 114.38 118.72 2ri4 h ARG 31 Ca 0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2ri4 h ARG 31 Cb 0.77 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2ri4 h ARG 31 CO -1.01 0.32 0.04 1.98 -1.07 0.00 0.00 179.97 180.23 2ri4 h MET 32 N 0.49 0.09 0.00 0.04 4.05 0.79 -2.82 114.93 117.57 2ri4 h MET 32 Ca 0.20 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 2ri4 h MET 32 Cb 0.08 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2ri4 h MET 32 CO -0.12 0.06 -0.11 0.74 0.23 0.00 0.00 176.91 177.70 2ri4 h PHE 33 N 0.09 0.00 0.09 1.39 0.04 -1.08 -1.72 116.94 115.76 2ri4 h PHE 33 Ca 0.03 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.44 2ri4 h PHE 33 Cb -0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2ri4 h PHE 33 CO -0.08 0.11 -2.01 1.28 -0.60 0.00 0.00 178.31 177.01 2ri4 n LEU 34 N -3.77 2.36 0.11 1.54 4.77 -1.10 -3.53 117.00 117.38 2ri4 n LEU 34 Ca -0.02 0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 2ri4 n LEU 34 Cb 0.22 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.28 2ri4 n LEU 34 CO 0.31 0.79 -0.19 0.28 -1.33 0.00 0.00 177.39 177.25 2ri4 h SER 35 N 0.05 0.57 -2.91 -1.43 0.02 -1.50 -3.40 113.55 104.94 2ri4 h SER 35 Ca -0.42 -0.64 -0.61 0.00 -0.84 0.00 0.00 61.79 59.27 2ri4 h SER 35 Cb 2.02 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 63.97 2ri4 h SER 35 CO 0.07 1.51 -0.63 0.49 -1.14 0.00 0.00 176.83 177.13 2ri4 n PHE 36 N -3.58 2.73 -0.33 3.45 3.72 -0.65 -4.97 117.46 117.83 2ri4 n PHE 36 Ca -0.13 -4.17 0.12 0.00 -0.05 0.00 0.00 57.45 53.21 2ri4 n PHE 36 Cb 1.06 -0.51 0.30 0.00 -0.94 0.00 0.00 39.48 39.39 2ri4 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2ri4 h PRO 37 N 5.30 0.63 -0.99 -1.08 0.11 -1.77 -0.66 132.00 133.54 2ri4 h PRO 37 Ca 0.17 -0.04 0.29 0.00 0.11 0.00 0.00 66.00 66.53 2ri4 h PRO 37 Cb 0.77 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.69 2ri4 h PRO 37 CO 0.68 0.42 0.74 1.79 -0.21 0.00 0.00 178.00 181.42 2ri4 h THR 38 N 0.65 0.45 0.00 -1.15 1.35 -1.93 0.38 112.91 112.66 2ri4 h THR 38 Ca 0.55 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.34 2ri4 h THR 38 Cb 0.90 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 2ri4 h THR 38 CO -0.41 0.00 -0.34 0.71 -0.25 0.00 0.00 175.52 175.23 2ri4 h THR 39 N 0.00 0.90 -0.78 6.82 1.35 -1.43 -2.50 112.91 117.27 2ri4 h THR 39 Ca 0.47 -1.34 0.25 0.00 -0.55 0.00 0.00 66.41 65.24 2ri4 h THR 39 Cb 1.95 1.81 -0.14 0.00 -1.73 0.00 0.00 68.15 70.03 2ri4 h THR 39 CO -0.00 0.33 0.15 0.29 -0.25 0.00 0.00 175.52 176.04 2ri4 n LYS 40 N -3.63 -0.06 0.32 4.72 5.02 0.13 -2.44 118.16 122.22 2ri4 n LYS 40 Ca -0.01 1.14 0.20 0.00 -2.02 0.00 0.00 58.31 57.62 2ri4 n LYS 40 Cb 0.45 -1.88 1.05 0.00 -0.02 0.00 0.00 35.03 34.63 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 0.14 0.00 -0.18 1.35 -1.60 -1.63 112.91 110.99 2ri4 h THR 41 Ca 0.54 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 2ri4 h THR 41 Cb 1.24 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2ri4 h THR 41 CO -0.69 0.01 0.00 1.88 -0.25 0.00 0.00 175.52 176.48 2ri4 h TYR 42 N 0.00 0.00 -1.57 4.73 0.05 -1.71 -3.32 116.97 115.16 2ri4 h TYR 42 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.22 2ri4 h TYR 42 Cb 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 37.44 2ri4 h TYR 42 CO 0.00 0.00 -0.80 1.19 -1.05 0.00 0.00 178.16 177.50 2ri4 n PHE 43 N -2.33 3.10 0.33 4.88 3.01 -0.61 -4.85 117.46 120.99 2ri4 n PHE 43 Ca 0.04 -3.21 0.22 0.00 1.01 0.00 0.00 57.45 55.50 2ri4 n PHE 43 Cb 0.34 -0.19 1.18 0.00 -0.01 0.00 0.00 39.48 40.80 2ri4 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2ri4 h PRO 44 N 2.70 0.00 -0.64 -1.08 0.13 -1.72 0.96 132.00 132.36 2ri4 h PRO 44 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2ri4 h PRO 44 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2ri4 h PRO 44 CO 0.79 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.17 2ri4 n HIS 45 N -3.20 1.30 -4.85 1.56 1.44 -1.26 -4.90 115.22 105.32 2ri4 n HIS 45 Ca -0.03 -0.51 -0.33 0.00 -2.01 0.00 0.00 57.72 54.84 2ri4 n HIS 45 Cb 0.07 -0.23 -0.14 0.00 0.12 0.00 0.00 29.99 29.82 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 -1.85 2.75 -0.17 -1.40 0.40 0.33 -5.05 117.98 112.99 2ri4 s PHE 46 Ca 0.43 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 56.12 2ri4 s PHE 46 Cb 0.28 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2ri4 s PHE 46 CO 0.20 0.03 1.90 0.34 0.70 0.00 0.00 175.22 178.39 2ri4 s ASP 47 N -0.29 6.07 -0.05 1.36 -1.08 -1.26 -4.78 116.67 116.64 2ri4 s ASP 47 Ca 0.02 1.93 0.17 0.00 -0.52 0.00 0.00 52.55 54.15 2ri4 s ASP 47 Cb -0.13 -2.52 0.56 0.00 -1.46 0.00 0.00 42.92 39.37 2ri4 s ASP 47 CO 0.03 -1.46 1.47 0.18 0.52 0.00 0.00 175.17 175.91 2ri4 n LEU 48 N 9.37 3.88 -4.68 -1.34 4.77 -1.26 -4.53 117.00 123.22 2ri4 n LEU 48 Ca 0.23 -2.21 -0.33 0.00 -0.03 0.00 0.00 56.01 53.66 2ri4 n LEU 48 Cb 0.44 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2ri4 n LEU 48 CO 0.66 0.84 0.71 -0.24 -1.33 0.00 0.00 177.39 178.03 2ri4 n SER 49 N 0.98 0.76 -4.69 -1.43 2.88 -1.26 -4.90 113.62 105.96 2ri4 n SER 49 Ca 0.21 0.55 -0.45 0.00 -1.33 0.00 0.00 58.87 57.85 2ri4 n SER 49 Cb 0.66 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.60 2ri4 n SER 49 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2ri4 n HIS 50 N -3.49 2.43 -2.65 0.66 -0.00 -1.26 -3.17 115.22 107.75 2ri4 n HIS 50 Ca 0.13 0.20 -0.06 0.00 0.46 0.00 0.00 57.72 58.45 2ri4 n HIS 50 Cb 0.51 -2.58 0.02 0.00 -0.12 0.00 0.00 29.99 27.82 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 3.50 0.39 3.45 1.57 0.00 -1.26 -5.04 105.19 107.81 2ri4 n GLY 51 Ca 0.16 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2ri4 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ri4 s SER 52 N -3.22 5.34 0.56 1.61 1.04 -1.19 -4.95 113.70 112.89 2ri4 s SER 52 Ca 0.10 -0.31 0.33 0.00 0.48 0.00 0.00 55.95 56.55 2ri4 s SER 52 Cb -0.04 -1.96 1.14 0.00 0.10 0.00 0.00 66.02 65.25 2ri4 s SER 52 CO 0.21 -0.09 1.32 0.00 0.98 0.00 0.00 173.24 175.66 2ri4 n ALA 53 N 4.95 1.25 0.06 5.32 0.00 -1.26 0.19 120.51 131.02 2ri4 n ALA 53 Ca -0.15 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 2ri4 n ALA 53 Cb 0.51 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 2ri4 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2ri4 h GLN 54 N 0.00 0.54 -0.15 0.00 4.20 -1.93 -0.67 115.11 117.10 2ri4 h GLN 54 Ca 0.62 -0.61 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 2ri4 h GLN 54 Cb 3.09 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 31.04 2ri4 h GLN 54 CO -0.01 1.23 -0.63 0.28 -0.67 0.00 0.00 178.83 179.03 2ri4 h VAL 55 N 0.30 1.33 0.03 -0.54 2.07 0.18 -1.16 116.25 118.46 2ri4 h VAL 55 Ca -0.11 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 2ri4 h VAL 55 Cb 1.68 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2ri4 h VAL 55 CO 0.19 0.59 -0.02 0.50 0.02 0.00 0.00 177.57 178.86 2ri4 h LYS 56 N 0.40 -0.04 -0.99 1.57 1.63 -1.29 -0.91 116.57 116.95 2ri4 h LYS 56 Ca -0.01 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2ri4 h LYS 56 Cb 1.19 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.78 2ri4 h LYS 56 CO 0.12 0.09 0.65 0.78 -3.45 0.00 0.00 179.45 177.63 2ri4 h GLY 57 N -0.16 1.41 1.42 5.01 0.00 -1.08 0.11 103.07 109.78 2ri4 h GLY 57 Ca -0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 47.33 46.61 2ri4 h GLY 57 CO 0.01 0.47 -0.80 0.84 0.00 0.00 0.00 176.54 177.06 2ri4 h HIS 58 N 1.30 0.77 -0.22 5.60 -0.00 -0.98 -2.54 115.15 119.07 2ri4 h HIS 58 Ca 0.38 -0.36 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2ri4 h HIS 58 Cb -0.09 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.17 2ri4 h HIS 58 CO -0.00 1.15 -0.25 0.78 -0.00 0.00 0.00 177.93 179.61 2ri4 h GLY 59 N 0.98 -1.60 -0.90 5.26 0.00 -0.11 0.57 103.07 107.26 2ri4 h GLY 59 Ca -0.05 0.82 0.25 0.00 0.00 0.00 0.00 47.33 48.36 2ri4 h GLY 59 CO 0.15 -0.48 0.04 1.18 0.00 0.00 0.00 176.54 177.42 2ri4 n GLU 60 N -3.90 -0.07 -0.00 4.80 1.02 0.26 -1.93 120.64 120.82 2ri4 n GLU 60 Ca -0.01 1.35 -0.17 0.00 -0.02 0.00 0.00 57.16 58.31 2ri4 n GLU 60 Cb 0.14 -2.15 -0.14 0.00 -0.02 0.00 0.00 31.44 29.27 2ri4 n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ri4 n LYS 61 N -5.31 0.72 0.23 3.49 5.02 -0.85 -2.06 118.16 119.39 2ri4 n LYS 61 Ca 0.22 0.28 0.09 0.00 -2.02 0.00 0.00 58.31 56.87 2ri4 n LYS 61 Cb 0.72 -1.74 0.55 0.00 -0.02 0.00 0.00 35.03 34.53 2ri4 n LYS 61 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ri4 h VAL 62 N 0.05 0.77 0.00 -0.18 2.07 0.60 -2.26 116.25 117.30 2ri4 h VAL 62 Ca -0.38 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2ri4 h VAL 62 Cb 2.03 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2ri4 h VAL 62 CO 0.09 0.22 -1.04 0.00 0.02 0.00 0.00 177.57 176.86 2ri4 n ALA 63 N -2.32 3.56 0.05 1.67 0.00 -0.81 -2.72 120.51 119.95 2ri4 n ALA 63 Ca -0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 2ri4 n ALA 63 Cb 0.34 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2ri4 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 h ALA 64 N 2.61 0.41 0.11 0.00 0.00 -0.94 -2.67 119.26 118.77 2ri4 h ALA 64 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2ri4 h ALA 64 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ri4 h ALA 64 CO 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 179.25 179.98 2ri4 h ALA 65 N 0.76 -0.14 -0.12 0.00 0.00 -1.49 0.16 119.26 118.43 2ri4 h ALA 65 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2ri4 h ALA 65 Cb 1.50 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2ri4 h ALA 65 CO 0.16 -0.28 0.15 -0.07 0.00 0.00 0.00 179.25 179.20 2ri4 h LEU 66 N -0.75 0.00 0.09 0.00 3.38 -1.61 0.36 115.31 116.79 2ri4 h LEU 66 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ri4 h LEU 66 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2ri4 h LEU 66 CO 0.02 0.00 -0.04 0.74 0.09 0.00 0.00 178.44 179.25 2ri4 h THR 67 N 0.00 1.05 -0.70 0.22 2.02 -1.31 -2.72 112.91 111.47 2ri4 h THR 67 Ca 0.06 -1.41 0.14 0.00 0.77 0.00 0.00 66.41 65.97 2ri4 h THR 67 Cb 0.35 1.84 -0.09 0.00 -1.74 0.00 0.00 68.15 68.51 2ri4 h THR 67 CO -0.00 0.30 0.22 0.50 0.37 0.00 0.00 175.52 176.91 2ri4 h LYS 68 N -0.86 0.34 -0.99 6.66 3.64 -0.12 -2.27 116.57 122.96 2ri4 h LYS 68 Ca -0.01 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2ri4 h LYS 68 Cb 0.58 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 2ri4 h LYS 68 CO 0.02 0.22 0.64 0.00 -2.27 0.00 0.00 179.45 178.07 2ri4 h ALA 69 N 1.54 1.43 0.00 5.00 0.00 -0.32 -1.97 119.26 124.94 2ri4 h ALA 69 Ca 0.38 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2ri4 h ALA 69 Cb 0.59 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ri4 h ALA 69 CO -0.42 0.41 -0.55 0.28 0.00 0.00 0.00 179.25 178.97 2ri4 h VAL 70 N 1.14 1.15 -0.97 0.00 2.07 -1.09 -2.44 116.25 116.12 2ri4 h VAL 70 Ca 0.44 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2ri4 h VAL 70 Cb 0.21 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 2ri4 h VAL 70 CO -0.18 0.54 0.62 1.23 0.02 0.00 0.00 177.57 179.80 2ri4 h GLY 71 N 2.35 1.38 -4.76 2.17 0.00 -1.03 -3.32 103.07 99.86 2ri4 h GLY 71 Ca -0.01 -0.54 -0.58 0.00 0.00 0.00 0.00 47.33 46.20 2ri4 h GLY 71 CO 0.07 0.53 -0.73 1.42 0.00 0.00 0.00 176.54 177.83 2ri4 n HIS 72 N -4.37 3.46 -0.04 5.60 -0.00 -0.94 -4.90 115.22 114.03 2ri4 n HIS 72 Ca 0.11 -3.34 -0.09 0.00 -0.00 0.00 0.00 57.72 54.40 2ri4 n HIS 72 Cb 0.03 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 2ri4 n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2ri4 h LEU 73 N 2.70 -0.91 -8.57 2.41 3.38 -1.60 -3.34 115.31 109.38 2ri4 h LEU 73 Ca 0.24 0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.82 2ri4 h LEU 73 Cb 0.82 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 2ri4 h LEU 73 CO 0.82 -0.32 1.14 -1.81 0.09 0.00 0.00 178.44 178.37 2ri4 s ASP 74 N -5.00 6.00 0.00 -0.43 -0.00 -1.26 -3.44 116.67 112.54 2ri4 s ASP 74 Ca -0.15 0.29 0.00 0.00 -0.00 0.00 0.00 52.55 52.69 2ri4 s ASP 74 Cb 0.12 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.49 2ri4 s ASP 74 CO 0.67 -1.81 0.00 -0.67 -0.00 0.00 0.00 175.17 173.36 2ri4 n ASP 75 N 10.04 -1.01 0.06 0.27 2.03 -1.26 -5.05 116.55 121.62 2ri4 n ASP 75 Ca 0.13 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.22 2ri4 n ASP 75 Cb 0.49 -0.51 -0.15 0.00 -0.72 0.00 0.00 41.12 40.24 2ri4 n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ri4 h LEU 76 N 0.00 0.55 -1.10 -2.67 3.38 -1.67 -3.37 115.31 110.43 2ri4 h LEU 76 Ca 0.00 -0.91 0.28 0.00 0.09 0.00 0.00 57.88 57.34 2ri4 h LEU 76 Cb 0.13 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.57 2ri4 h LEU 76 CO 0.00 1.69 0.62 -0.65 0.09 0.00 0.00 178.44 180.19 2ri4 h PRO 77 N -0.08 0.45 0.00 1.13 0.11 -1.93 0.62 132.00 132.30 2ri4 h PRO 77 Ca -0.30 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 2ri4 h PRO 77 Cb 1.95 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.94 2ri4 h PRO 77 CO 0.14 0.30 -0.38 0.78 -0.21 0.00 0.00 178.00 178.63 2ri4 h GLY 78 N 0.46 0.00 0.44 -0.55 0.00 -1.98 -1.83 103.07 99.61 2ri4 h GLY 78 Ca 0.66 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.63 2ri4 h GLY 78 CO -0.46 0.00 -2.13 -0.37 0.00 0.00 0.00 176.54 173.58 2ri4 n THR 79 N -3.37 1.65 -0.06 4.70 5.66 0.15 -4.56 114.28 118.43 2ri4 n THR 79 Ca 0.01 -0.67 -0.10 0.00 -3.05 0.00 0.00 64.05 60.24 2ri4 n THR 79 Cb 0.57 -1.45 -0.09 0.00 -1.55 0.00 0.00 70.33 67.81 2ri4 n THR 79 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2ri4 h LEU 80 N 0.04 0.00 0.00 1.09 3.38 -0.13 -3.44 115.31 116.25 2ri4 h LEU 80 Ca -0.46 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 56.82 2ri4 h LEU 80 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2ri4 h LEU 80 CO 0.03 0.86 0.00 -0.24 0.09 0.00 0.00 178.44 179.18 2ri4 n SER 81 N -4.66 0.00 -0.03 -0.43 2.88 -0.69 0.20 113.62 110.89 2ri4 n SER 81 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2ri4 n SER 81 Cb 0.34 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.81 2ri4 n SER 81 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2ri4 n ASP 82 N 3.12 -0.04 -0.07 -3.46 5.75 -1.26 0.19 116.55 120.78 2ri4 n ASP 82 Ca 0.00 0.16 -0.07 0.00 -0.01 0.00 0.00 54.79 54.87 2ri4 n ASP 82 Cb 0.00 -0.05 0.11 0.00 -1.03 0.00 0.00 41.12 40.16 2ri4 n ASP 82 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ri4 h LEU 83 N 0.00 0.72 0.30 -2.12 3.38 0.19 -0.15 115.31 117.62 2ri4 h LEU 83 Ca 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2ri4 h LEU 83 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2ri4 h LEU 83 CO -0.10 0.94 -0.46 0.28 0.09 0.00 0.00 178.44 179.19 2ri4 h SER 84 N 0.62 -1.30 -0.88 -0.43 0.02 0.20 -1.38 113.55 110.39 2ri4 h SER 84 Ca 0.09 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 2ri4 h SER 84 Cb 0.73 0.46 -0.12 0.00 0.14 0.00 0.00 62.40 63.61 2ri4 h SER 84 CO 0.06 -0.57 -0.46 -0.67 -1.14 0.00 0.00 176.83 174.05 2ri4 n ASP 85 N -5.51 -0.82 -0.13 3.07 2.03 -0.25 0.37 116.55 115.32 2ri4 n ASP 85 Ca -0.10 1.55 -0.06 0.00 0.52 0.00 0.00 54.79 56.70 2ri4 n ASP 85 Cb 0.41 -0.25 0.03 0.00 -0.72 0.00 0.00 41.12 40.59 2ri4 n ASP 85 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2ri4 h LEU 86 N 0.00 0.32 -0.20 -2.67 5.85 -0.86 -3.06 115.31 114.69 2ri4 h LEU 86 Ca 0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2ri4 h LEU 86 Cb 0.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2ri4 h LEU 86 CO -0.84 0.23 -0.41 1.41 -0.34 0.00 0.00 178.44 178.49 2ri4 n HIS 87 N -4.90 0.00 -0.81 1.25 8.25 -0.39 -0.96 115.22 117.66 2ri4 n HIS 87 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 2ri4 n HIS 87 Cb 0.10 -0.19 0.07 0.00 1.12 0.00 0.00 29.99 31.08 2ri4 n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ri4 n ALA 88 N -1.16 2.06 0.00 -1.41 0.00 0.16 -1.48 120.51 118.68 2ri4 n ALA 88 Ca 0.08 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.75 2ri4 n ALA 88 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2ri4 n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ri4 n LYS 90 N -0.88 0.00 -0.02 0.00 0.00 -1.18 -4.47 118.16 111.61 2ri4 n LYS 90 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.38 2ri4 n LYS 90 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.49 2ri4 n LYS 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ri4 n LEU 91 N 0.00 0.00 -3.37 3.14 4.77 -0.13 -5.04 117.00 116.36 2ri4 n LEU 91 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2ri4 n LEU 91 Cb 0.00 0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2ri4 n LEU 91 CO 0.00 0.09 0.06 0.54 -1.33 0.00 0.00 177.39 176.75 2ri4 n ARG 92 N -2.03 -1.62 -3.14 3.23 1.74 -1.23 -4.91 116.66 108.71 2ri4 n ARG 92 Ca -0.06 0.91 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 2ri4 n ARG 92 Cb 0.49 -4.99 -0.06 0.00 -1.02 0.00 0.00 32.46 26.89 2ri4 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ri4 s VAL 93 N -3.27 5.05 0.34 1.55 1.01 -0.55 -5.00 120.40 119.53 2ri4 s VAL 93 Ca 0.30 1.19 -0.28 0.00 0.00 0.00 0.00 61.98 63.19 2ri4 s VAL 93 Cb -0.07 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 2ri4 s VAL 93 CO 0.79 0.17 1.27 -0.67 0.00 0.00 0.00 175.10 176.66 2ri4 n ASP 94 N 4.63 2.66 0.29 3.32 -0.08 -1.26 -4.86 116.55 121.25 2ri4 n ASP 94 Ca -0.02 1.21 0.17 0.00 -1.51 0.00 0.00 54.79 54.63 2ri4 n ASP 94 Cb 0.50 -1.47 0.89 0.00 2.34 0.00 0.00 41.12 43.38 2ri4 n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2ri4 h PRO 95 N 2.50 0.00 0.00 -0.67 0.13 -1.97 -3.08 132.00 128.91 2ri4 h PRO 95 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2ri4 h PRO 95 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2ri4 h PRO 95 CO 0.62 0.05 -0.31 -0.39 -0.23 0.00 0.00 178.00 177.74 2ri4 h VAL 96 N 0.00 0.67 -0.56 1.56 -1.51 -2.00 -2.10 116.25 112.31 2ri4 h VAL 96 Ca -0.00 -1.46 0.05 0.00 -1.23 0.00 0.00 66.70 64.06 2ri4 h VAL 96 Cb 0.21 1.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.31 2ri4 h VAL 96 CO 0.01 0.31 0.37 0.78 -1.23 0.00 0.00 177.57 177.81 2ri4 h ASN 97 N 0.00 0.49 -0.61 4.19 4.21 -1.91 -2.21 115.58 119.75 2ri4 h ASN 97 Ca -0.00 -0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.54 2ri4 h ASN 97 Cb 0.94 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.99 2ri4 h ASN 97 CO 0.04 0.33 0.36 -0.26 -1.29 0.00 0.00 177.43 176.61 2ri4 h PHE 98 N 0.57 0.67 0.22 1.19 0.04 -1.52 -0.39 116.94 117.72 2ri4 h PHE 98 Ca 0.24 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 2ri4 h PHE 98 Cb 0.22 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2ri4 h PHE 98 CO -0.00 0.37 -0.24 0.87 -0.60 0.00 0.00 178.31 178.71 2ri4 h LYS 99 N 0.70 -0.45 -1.28 1.51 1.57 -1.45 0.18 116.57 117.36 2ri4 h LYS 99 Ca 0.25 0.03 0.39 0.00 -1.87 0.00 0.00 60.65 59.45 2ri4 h LYS 99 Cb 0.05 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 2ri4 h LYS 99 CO -0.12 -0.30 0.84 -0.07 -0.57 0.00 0.00 179.45 179.23 2ri4 h LEU 100 N -0.46 0.26 0.04 2.94 3.38 -1.46 0.74 115.31 120.75 2ri4 h LEU 100 Ca -0.03 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ri4 h LEU 100 Cb 0.41 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ri4 h LEU 100 CO -0.04 -0.09 -0.02 0.25 0.09 0.00 0.00 178.44 178.63 2ri4 h LEU 101 N 0.15 -0.04 -0.87 1.67 5.85 -0.45 -2.75 115.31 118.87 2ri4 h LEU 101 Ca 0.75 -0.44 0.20 0.00 0.84 0.00 0.00 57.88 59.23 2ri4 h LEU 101 Cb 2.35 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 43.23 2ri4 h LEU 101 CO -0.34 0.65 -0.06 0.28 -0.34 0.00 0.00 178.44 178.64 2ri4 h SER 102 N -0.98 -0.53 -0.14 1.25 0.02 -0.33 0.56 113.55 113.40 2ri4 h SER 102 Ca -0.01 0.24 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 2ri4 h SER 102 Cb 0.48 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2ri4 h SER 102 CO 0.01 -0.27 0.10 -0.74 -1.14 0.00 0.00 176.83 174.79 2ri4 h HIS 103 N 0.04 0.04 0.00 3.45 -0.00 0.42 -2.48 115.15 116.62 2ri4 h HIS 103 Ca 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.70 2ri4 h HIS 103 Cb 0.85 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 2ri4 h HIS 103 CO -0.53 0.02 -0.73 0.77 -0.00 0.00 0.00 177.93 177.46 2ri4 h SER 104 N 0.04 0.00 -0.33 3.26 0.02 0.40 -2.47 113.55 114.46 2ri4 h SER 104 Ca 0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2ri4 h SER 104 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2ri4 h SER 104 CO -0.00 0.68 0.05 -0.07 -1.14 0.00 0.00 176.83 176.35 2ri4 h LEU 105 N 0.00 0.53 -1.52 5.07 3.38 -0.84 -2.02 115.31 119.92 2ri4 h LEU 105 Ca -0.02 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2ri4 h LEU 105 Cb 1.54 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2ri4 h LEU 105 CO 0.09 0.67 0.38 -0.07 0.09 0.00 0.00 178.44 179.59 2ri4 h LEU 106 N 0.38 0.53 -0.10 1.67 3.38 -1.36 0.18 115.31 120.00 2ri4 h LEU 106 Ca 0.10 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2ri4 h LEU 106 Cb 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ri4 h LEU 106 CO 0.01 0.36 -0.42 0.58 0.09 0.00 0.00 178.44 179.05 2ri4 h VAL 107 N 0.61 1.38 0.45 1.22 2.07 -1.21 -1.99 116.25 118.78 2ri4 h VAL 107 Ca 0.24 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 2ri4 h VAL 107 Cb 0.18 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2ri4 h VAL 107 CO -0.07 0.52 -0.21 0.74 0.02 0.00 0.00 177.57 178.57 2ri4 h THR 108 N 0.05 0.55 -0.33 2.57 2.02 -0.89 -2.47 112.91 114.40 2ri4 h THR 108 Ca -0.02 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 66.97 2ri4 h THR 108 Cb 1.06 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 2ri4 h THR 108 CO 0.09 0.04 -0.48 -0.07 0.37 0.00 0.00 175.52 175.48 2ri4 h LEU 109 N -0.74 -1.56 -2.40 2.58 3.38 -0.61 0.25 115.31 116.20 2ri4 h LEU 109 Ca -0.06 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2ri4 h LEU 109 Cb 0.53 0.65 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ri4 h LEU 109 CO 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.23 2ri4 h ALA 110 N 0.16 1.00 0.33 1.53 0.00 -1.41 0.99 119.26 121.87 2ri4 h ALA 110 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2ri4 h ALA 110 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ri4 h ALA 110 CO -0.53 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 178.56 2ri4 h HIS 112 N -0.81 0.79 -2.29 0.00 3.86 0.13 -3.37 115.15 113.46 2ri4 h HIS 112 Ca -0.05 -0.57 -0.64 0.00 -1.16 0.00 0.00 60.37 57.95 2ri4 h HIS 112 Cb 0.52 -0.03 -0.39 0.00 1.06 0.00 0.00 27.41 28.57 2ri4 h HIS 112 CO 0.02 1.59 -0.27 1.28 0.86 0.00 0.00 177.93 181.41 2ri4 n LEU 113 N -3.62 5.07 0.09 2.43 4.77 0.29 -4.87 117.00 121.16 2ri4 n LEU 113 Ca -0.20 -5.60 0.03 0.00 -0.03 0.00 0.00 56.01 50.21 2ri4 n LEU 113 Cb 1.08 -0.70 0.43 0.00 -2.33 0.00 0.00 43.42 41.89 2ri4 n LEU 113 CO 0.55 2.27 1.00 -0.65 -1.33 0.00 0.00 177.39 179.23 2ri4 h PRO 114 N 3.35 0.32 0.00 3.23 0.11 -1.74 -0.41 132.00 136.87 2ri4 h PRO 114 Ca 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2ri4 h PRO 114 Cb 0.48 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2ri4 h PRO 114 CO 0.90 0.34 0.00 -0.91 -0.21 0.00 0.00 178.00 178.12 2ri4 h ASN 115 N 0.32 0.00 0.00 -2.05 2.35 -1.92 -3.05 115.58 111.23 2ri4 h ASN 115 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2ri4 h ASN 115 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2ri4 h ASN 115 CO 0.00 0.00 -0.91 0.47 -1.65 0.00 0.00 177.43 175.35 2ri4 n ASP 116 N -2.74 0.84 -3.22 5.81 8.00 -0.71 -4.58 116.55 119.94 2ri4 n ASP 116 Ca 0.04 -0.72 -0.37 0.00 0.71 0.00 0.00 54.79 54.45 2ri4 n ASP 116 Cb 0.42 1.13 -0.04 0.00 -0.02 0.00 0.00 41.12 42.61 2ri4 n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2ri4 n PHE 117 N -1.49 2.25 -1.96 1.24 7.35 -0.24 -4.78 117.46 119.83 2ri4 n PHE 117 Ca 0.02 -2.86 -0.38 0.00 -0.76 0.00 0.00 57.45 53.47 2ri4 n PHE 117 Cb 0.27 -2.22 0.02 0.00 0.35 0.00 0.00 39.48 37.91 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 1.05 2.46 0.44 -2.13 -4.23 -1.26 -4.73 115.64 107.24 2ri4 s THR 118 Ca 0.65 0.34 0.40 0.00 -1.18 0.00 0.00 61.69 61.90 2ri4 s THR 118 Cb 0.20 -3.17 0.59 0.00 1.34 0.00 0.00 72.50 71.46 2ri4 s THR 118 CO -0.07 -0.01 1.25 -2.65 -0.54 0.00 0.00 174.62 172.60 2ri4 n PRO 119 N -0.93 -0.00 -0.00 3.99 -0.02 -1.26 0.39 135.00 137.17 2ri4 n PRO 119 Ca 0.10 0.87 0.07 0.00 -2.02 0.00 0.00 63.50 62.52 2ri4 n PRO 119 Cb 0.46 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 2ri4 n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ri4 n ALA 120 N -2.73 3.16 0.10 3.55 0.00 -1.26 -3.62 120.51 119.70 2ri4 n ALA 120 Ca 0.36 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 2ri4 n ALA 120 Cb 1.61 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 20.42 2ri4 n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ri4 h VAL 121 N 0.00 1.46 -0.36 0.00 2.07 -0.37 -3.14 116.25 115.91 2ri4 h VAL 121 Ca 0.00 -2.85 0.10 0.00 0.82 0.00 0.00 66.70 64.78 2ri4 h VAL 121 Cb 0.55 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2ri4 h VAL 121 CO 0.00 0.84 0.30 -0.74 0.02 0.00 0.00 177.57 177.98 2ri4 h HIS 122 N 0.13 0.00 0.00 1.57 6.17 -1.26 -2.05 115.15 119.70 2ri4 h HIS 122 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.96 2ri4 h HIS 122 Cb 1.85 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.78 2ri4 h HIS 122 CO 0.07 0.00 0.00 0.00 0.71 0.00 0.00 177.93 178.71 2ri4 n ALA 123 N -2.51 0.00 -0.17 5.26 0.00 -1.19 -2.35 120.51 119.55 2ri4 n ALA 123 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 2ri4 n ALA 123 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 2ri4 n ALA 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ri4 n SER 124 N -0.25 -0.35 -0.36 0.00 7.64 -1.22 0.21 113.62 119.29 2ri4 n SER 124 Ca 0.00 0.77 0.03 0.00 1.01 0.00 0.00 58.87 60.68 2ri4 n SER 124 Cb 0.00 -0.15 0.18 0.00 -1.01 0.00 0.00 64.21 63.24 2ri4 n SER 124 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ri4 h LEU 125 N 0.00 0.99 0.79 -3.43 3.38 -1.53 0.17 115.31 115.68 2ri4 h LEU 125 Ca 0.12 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2ri4 h LEU 125 Cb 0.23 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2ri4 h LEU 125 CO -0.43 0.62 -0.38 -0.78 0.09 0.00 0.00 178.44 177.56 2ri4 h ASP 126 N 1.12 -0.90 -0.63 -0.43 3.58 0.16 -0.86 116.42 118.46 2ri4 h ASP 126 Ca 0.44 0.03 0.11 0.00 0.42 0.00 0.00 57.03 58.02 2ri4 h ASP 126 Cb 0.23 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.43 2ri4 h ASP 126 CO -0.19 -0.63 0.21 0.11 -2.88 0.00 0.00 179.24 175.87 2ri4 h LYS 127 N -1.08 0.36 -0.62 0.28 1.57 -1.29 0.57 116.57 116.36 2ri4 h LYS 127 Ca -0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2ri4 h LYS 127 Cb 0.82 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2ri4 h LYS 127 CO 0.18 0.24 0.40 0.35 -0.57 0.00 0.00 179.45 180.05 2ri4 h PHE 128 N 0.37 0.79 0.00 -1.35 3.57 -0.57 0.31 116.94 120.07 2ri4 h PHE 128 Ca 0.33 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 2ri4 h PHE 128 Cb 0.44 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2ri4 h PHE 128 CO -0.19 0.51 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.00 2ri4 h LEU 129 N 0.85 0.00 -0.15 0.59 3.38 0.44 -2.13 115.31 118.28 2ri4 h LEU 129 Ca 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ri4 h LEU 129 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2ri4 h LEU 129 CO -0.05 0.33 -0.15 0.00 0.09 0.00 0.00 178.44 178.66 2ri4 h ALA 130 N 1.67 0.22 0.42 1.53 0.00 0.73 -1.78 119.26 122.05 2ri4 h ALA 130 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2ri4 h ALA 130 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ri4 h ALA 130 CO 0.04 0.11 -0.20 -0.91 0.00 0.00 0.00 179.25 178.29 2ri4 h ASN 131 N 0.01 -0.48 -0.74 0.00 -0.26 -0.36 0.49 115.58 114.23 2ri4 h ASN 131 Ca 0.02 -0.06 0.15 0.00 -0.56 0.00 0.00 56.30 55.85 2ri4 h ASN 131 Cb 0.69 0.12 -0.14 0.00 -1.06 0.00 0.00 38.32 37.93 2ri4 h ASN 131 CO 0.04 -0.22 -0.19 0.58 -1.06 0.00 0.00 177.43 176.58 2ri4 h VAL 132 N -0.72 0.26 0.00 2.81 2.07 -1.53 0.30 116.25 119.44 2ri4 h VAL 132 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2ri4 h VAL 132 Cb 0.51 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2ri4 h VAL 132 CO 0.09 0.00 0.00 0.28 0.02 0.00 0.00 177.57 177.96 2ri4 h SER 133 N -0.00 0.00 0.16 0.57 0.02 -0.99 0.39 113.55 113.70 2ri4 h SER 133 Ca 0.36 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.96 2ri4 h SER 133 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2ri4 h SER 133 CO -0.76 0.00 -1.78 0.74 -1.14 0.00 0.00 176.83 173.89 2ri4 h THR 134 N 0.00 0.85 0.23 -2.27 2.02 0.25 -3.16 112.91 110.84 2ri4 h THR 134 Ca 0.00 -2.44 0.01 0.00 0.77 0.00 0.00 66.41 64.74 2ri4 h THR 134 Cb 0.41 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2ri4 h THR 134 CO 0.00 0.85 -0.28 0.58 0.37 0.00 0.00 175.52 177.04 2ri4 h VAL 135 N 0.03 0.41 -0.85 3.16 2.07 -0.34 -3.17 116.25 117.55 2ri4 h VAL 135 Ca -0.36 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.32 2ri4 h VAL 135 Cb 2.03 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 2ri4 h VAL 135 CO 0.13 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.21 2ri4 h LEU 136 N -0.56 0.49 -1.13 2.57 3.38 -0.30 1.86 115.31 121.62 2ri4 h LEU 136 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ri4 h LEU 136 Cb 0.53 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2ri4 h LEU 136 CO -0.09 0.23 0.00 0.35 0.09 0.00 0.00 178.44 179.02 2ri4 n THR 137 N -4.52 0.14 0.79 0.22 -2.24 -1.19 -3.98 114.28 103.49 2ri4 n THR 137 Ca 0.17 -0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 2ri4 n THR 137 Cb 0.57 -0.49 0.38 0.00 -2.10 0.00 0.00 70.33 68.69 2ri4 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96