#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 s SER 2 N 0.00 6.67 -0.43 1.61 0.15 -1.26 -5.05 113.70 115.39 2cr4 s SER 2 Ca 0.00 1.14 -0.18 0.00 0.70 0.00 0.00 55.95 57.61 2cr4 s SER 2 Cb 0.00 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2cr4 s SER 2 CO 0.00 -0.22 0.47 -0.44 1.20 0.00 0.00 173.24 174.26 2cr4 s SER 3 N -2.52 6.21 0.00 5.45 0.01 -1.26 -5.06 113.70 116.53 2cr4 s SER 3 Ca 0.52 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2cr4 s SER 3 Cb -0.10 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2cr4 s SER 3 CO 0.22 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2cr4 n GLY 4 N 5.11 -2.98 3.22 3.44 0.00 -1.26 -5.07 105.19 107.64 2cr4 n GLY 4 Ca -0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2cr4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr4 s SER 5 N -2.13 0.18 0.01 1.61 0.15 -1.26 -5.17 113.70 107.09 2cr4 s SER 5 Ca 0.00 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2cr4 s SER 5 Cb 0.00 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2cr4 s SER 5 CO 0.00 -0.83 -0.02 -0.44 1.20 0.00 0.00 173.24 173.15 2cr4 s SER 6 N -3.10 0.24 0.00 5.45 0.01 -1.26 -5.05 113.70 109.98 2cr4 s SER 6 Ca 0.32 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2cr4 s SER 6 Cb 0.06 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2cr4 s SER 6 CO 0.08 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2cr4 n GLY 7 N 2.37 -2.40 3.78 3.44 0.00 -1.26 -5.14 105.19 105.98 2cr4 n GLY 7 Ca -0.18 0.82 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 2cr4 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 8 N 0.00 4.49 -0.70 1.61 -1.05 -1.26 -4.97 118.70 116.82 2cr4 s GLU 8 Ca 0.00 1.37 -0.01 0.00 -0.15 0.00 0.00 54.97 56.19 2cr4 s GLU 8 Cb 0.00 -2.73 0.40 0.00 -0.44 0.00 0.00 34.13 31.36 2cr4 s GLU 8 CO 0.00 0.18 1.87 -0.25 0.95 0.00 0.00 175.26 178.02 2cr4 n ASP 9 N 0.40 7.11 -4.40 0.83 9.92 -1.26 -4.90 116.55 124.25 2cr4 n ASP 9 Ca 0.03 -3.80 -0.45 0.00 -0.53 0.00 0.00 54.79 50.03 2cr4 n ASP 9 Cb 0.50 -0.92 -0.02 0.00 -0.64 0.00 0.00 41.12 40.04 2cr4 n ASP 9 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2cr4 s TYR 10 N -3.90 3.50 0.01 1.24 2.02 -1.26 -5.00 117.35 113.96 2cr4 s TYR 10 Ca 0.56 -1.81 0.07 0.00 -0.37 0.00 0.00 57.07 55.52 2cr4 s TYR 10 Cb 0.46 -4.08 -0.02 0.00 -0.40 0.00 0.00 41.96 37.92 2cr4 s TYR 10 CO -0.21 -1.25 -0.21 -1.83 -1.57 0.00 0.00 175.55 170.48 2cr4 s GLU 11 N 1.30 1.55 -1.72 -0.62 1.03 -1.26 -4.70 118.70 114.27 2cr4 s GLU 11 Ca 0.28 -0.83 -0.00 0.00 0.03 0.00 0.00 54.97 54.45 2cr4 s GLU 11 Cb -0.07 -1.57 0.00 0.00 -0.80 0.00 0.00 34.13 31.69 2cr4 s GLU 11 CO -0.08 0.42 0.04 1.63 -1.33 0.00 0.00 175.26 175.94 2cr4 n LYS 12 N 2.24 -1.93 -3.19 -4.83 5.02 -1.26 -4.96 118.16 109.24 2cr4 n LYS 12 Ca -0.16 0.97 -0.37 0.00 -2.02 0.00 0.00 58.31 56.74 2cr4 n LYS 12 Cb 0.53 -5.65 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cr4 s VAL 13 N -3.02 4.66 -0.02 -0.18 -7.23 -1.26 -5.01 120.40 108.34 2cr4 s VAL 13 Ca 0.02 1.19 -0.24 0.00 -1.81 0.00 0.00 61.98 61.14 2cr4 s VAL 13 Cb -0.01 -3.86 -0.18 0.00 0.56 0.00 0.00 36.38 32.89 2cr4 s VAL 13 CO 0.02 0.32 1.15 1.55 -0.31 0.00 0.00 175.10 177.84 2cr4 h PRO 14 N 3.78 -0.17 -3.87 4.82 0.13 -1.98 -3.41 132.00 131.29 2cr4 h PRO 14 Ca -0.48 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 2cr4 h PRO 14 Cb 1.20 0.04 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 2cr4 h PRO 14 CO 0.65 0.25 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.42 2cr4 s LEU 15 N -9.24 3.09 0.80 1.56 2.01 -1.26 -4.88 118.68 110.75 2cr4 s LEU 15 Ca -0.14 -1.88 -0.11 0.00 0.01 0.00 0.00 54.13 52.01 2cr4 s LEU 15 Cb 0.01 -1.12 0.07 0.00 0.01 0.00 0.00 46.19 45.16 2cr4 s LEU 15 CO 0.58 -0.39 1.09 -2.16 1.01 0.00 0.00 176.35 176.48 2cr4 s PRO 16 N 1.29 2.02 -0.09 1.29 0.04 -1.26 -4.92 135.00 133.38 2cr4 s PRO 16 Ca 0.11 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.25 2cr4 s PRO 16 Cb -0.18 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.64 2cr4 s PRO 16 CO -0.18 -1.78 1.10 0.09 0.04 0.00 0.00 177.00 176.27 2cr4 n ASN 17 N -3.61 2.90 -0.08 6.66 4.13 -1.26 -3.62 115.26 120.39 2cr4 n ASN 17 Ca 0.09 -2.33 -0.10 0.00 1.68 0.00 0.00 54.58 53.92 2cr4 n ASN 17 Cb 0.54 -0.57 -0.08 0.00 -1.54 0.00 0.00 39.78 38.13 2cr4 n ASN 17 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2cr4 n SER 18 N 0.13 2.53 -0.14 6.41 7.64 -1.26 -4.61 113.62 124.32 2cr4 n SER 18 Ca 0.12 -0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 2cr4 n SER 18 Cb 0.69 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 2cr4 n SER 18 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2cr4 h VAL 19 N 0.00 1.26 -1.96 0.44 -1.51 -1.54 -3.39 116.25 109.55 2cr4 h VAL 19 Ca -0.36 -1.01 -0.51 0.00 -1.23 0.00 0.00 66.70 63.60 2cr4 h VAL 19 Cb 1.61 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 2cr4 h VAL 19 CO -0.04 0.34 1.46 -0.36 -1.23 0.00 0.00 177.57 177.74 2cr4 s PHE 20 N -5.00 1.42 0.16 5.19 0.40 -1.25 -2.50 117.98 116.40 2cr4 s PHE 20 Ca -0.13 1.02 0.02 0.00 -0.60 0.00 0.00 56.93 57.24 2cr4 s PHE 20 Cb 0.10 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.70 2cr4 s PHE 20 CO 0.79 -2.66 0.30 0.54 0.70 0.00 0.00 175.22 174.90 2cr4 s VAL 21 N 9.80 5.30 -0.26 -0.44 0.11 -0.78 -5.00 120.40 129.15 2cr4 s VAL 21 Ca 0.83 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 2cr4 s VAL 21 Cb -0.18 -3.74 0.35 0.00 -1.53 0.00 0.00 36.38 31.29 2cr4 s VAL 21 CO 0.26 -0.10 1.45 -3.20 -3.33 0.00 0.00 175.10 170.19 2cr4 n ASN 22 N -0.53 3.39 -4.78 3.54 2.85 -1.26 -4.30 115.26 114.17 2cr4 n ASN 22 Ca -0.06 -2.81 -0.32 0.00 -0.11 0.00 0.00 54.58 51.28 2cr4 n ASN 22 Cb 0.54 -0.67 -0.07 0.00 1.24 0.00 0.00 39.78 40.82 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 s THR 23 N -1.72 4.65 -0.21 -0.44 -1.32 -1.26 -4.99 115.64 110.36 2cr4 s THR 23 Ca 0.29 -0.53 0.12 0.00 -1.21 0.00 0.00 61.69 60.37 2cr4 s THR 23 Cb 0.25 -3.16 0.41 0.00 -1.51 0.00 0.00 72.50 68.48 2cr4 s THR 23 CO 0.06 0.28 1.23 0.35 -2.21 0.00 0.00 174.62 174.33 2cr4 n THR 24 N 0.95 2.19 -4.00 5.08 -2.24 -1.26 -1.74 114.28 113.27 2cr4 n THR 24 Ca -0.12 -3.06 -0.09 0.00 -2.27 0.00 0.00 64.05 58.52 2cr4 n THR 24 Cb 0.52 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -3.19 0.37 0.01 -0.78 2.02 -1.26 -4.85 118.70 111.02 2cr4 s GLU 25 Ca 0.38 -0.73 -0.06 0.00 0.02 0.00 0.00 54.97 54.58 2cr4 s GLU 25 Cb 0.36 0.13 -0.29 0.00 0.10 0.00 0.00 34.13 34.43 2cr4 s GLU 25 CO -0.05 -0.06 0.88 0.66 0.02 0.00 0.00 175.26 176.71 2cr4 h SER 26 N 4.35 0.47 -0.56 -0.19 4.64 -1.95 -3.29 113.55 117.03 2cr4 h SER 26 Ca -0.32 -0.62 0.10 0.00 -0.47 0.00 0.00 61.79 60.47 2cr4 h SER 26 Cb 1.20 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 63.05 2cr4 h SER 26 CO 0.46 1.51 0.11 0.00 -0.87 0.00 0.00 176.83 178.05 2cr4 h GLU 28 N 0.25 -0.73 -0.86 0.00 4.57 -2.01 -3.12 114.58 112.68 2cr4 h GLU 28 Ca 0.29 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.60 2cr4 h GLU 28 Cb 0.41 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 29.06 2cr4 h GLU 28 CO -0.37 -0.46 -0.48 0.28 -1.18 0.00 0.00 179.01 176.79 2cr4 n VAL 29 N -5.39 -0.57 -0.32 0.32 0.31 -0.98 0.14 118.33 111.84 2cr4 n VAL 29 Ca -0.12 2.07 0.15 0.00 -0.01 0.00 0.00 64.34 66.43 2cr4 n VAL 29 Cb 0.32 -2.59 0.34 0.00 -0.91 0.00 0.00 33.84 31.00 2cr4 n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2cr4 h GLU 30 N 0.00 0.44 -0.15 5.55 4.81 -1.47 0.25 114.58 124.01 2cr4 h GLU 30 Ca 0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2cr4 h GLU 30 Cb 0.38 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2cr4 h GLU 30 CO -0.82 0.29 -0.03 -0.09 -0.73 0.00 0.00 179.01 177.63 2cr4 h ARG 31 N 0.45 0.28 -0.40 1.92 9.65 0.12 -3.03 114.38 123.37 2cr4 h ARG 31 Ca 0.59 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 59.44 2cr4 h ARG 31 Cb 1.13 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.63 2cr4 h ARG 31 CO -0.52 0.55 -0.00 -0.07 2.80 0.00 0.00 179.97 182.74 2cr4 h LEU 32 N -0.02 -0.17 0.03 3.80 3.38 0.11 0.39 115.31 122.83 2cr4 h LEU 32 Ca 0.04 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2cr4 h LEU 32 Cb 0.45 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2cr4 h LEU 32 CO 0.01 -0.05 -0.50 -0.26 0.09 0.00 0.00 178.44 177.74 2cr4 h PHE 33 N 0.10 -1.44 -0.49 1.13 -1.00 -1.17 0.25 116.94 114.32 2cr4 h PHE 33 Ca 0.20 0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.99 2cr4 h PHE 33 Cb 0.28 0.63 -0.02 0.00 3.61 0.00 0.00 35.95 40.44 2cr4 h PHE 33 CO -0.27 -0.56 0.19 0.87 -1.61 0.00 0.00 178.31 176.93 2cr4 h LYS 34 N -0.66 0.70 -0.59 1.51 1.57 -1.36 -2.59 116.57 115.15 2cr4 h LYS 34 Ca 0.02 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2cr4 h LYS 34 Cb 0.71 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2cr4 h LYS 34 CO -0.33 0.59 0.33 0.00 -0.57 0.00 0.00 179.45 179.46 2cr4 h ALA 35 N 1.51 0.76 -0.27 3.86 0.00 0.82 -1.96 119.26 123.98 2cr4 h ALA 35 Ca 0.17 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2cr4 h ALA 35 Cb 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2cr4 h ALA 35 CO -0.02 0.27 0.12 -2.37 0.00 0.00 0.00 179.25 177.26 2cr4 n THR 36 N -4.58 1.37 -4.43 0.00 5.66 0.79 -4.86 114.28 108.22 2cr4 n THR 36 Ca 0.04 -0.56 -0.32 0.00 -3.05 0.00 0.00 64.05 60.16 2cr4 n THR 36 Cb 0.08 -0.64 -0.10 0.00 -1.55 0.00 0.00 70.33 68.12 2cr4 n THR 36 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2cr4 s SER 37 N 0.01 4.55 -0.02 1.09 0.15 -0.74 -5.00 113.70 113.74 2cr4 s SER 37 Ca 0.19 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.38 2cr4 s SER 37 Cb 0.15 -1.01 -0.19 0.00 -1.71 0.00 0.00 66.02 63.26 2cr4 s SER 37 CO 0.04 0.26 1.19 1.55 1.20 0.00 0.00 173.24 177.49 2cr4 h PRO 38 N 4.35 -0.10 -0.78 5.44 0.13 -1.85 -3.15 132.00 136.03 2cr4 h PRO 38 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cr4 h PRO 38 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2cr4 h PRO 38 CO 0.53 0.35 0.00 0.54 -0.23 0.00 0.00 178.00 179.19 2cr4 n ARG 39 N -4.91 2.83 -1.39 0.86 3.00 -1.26 -4.85 116.66 110.94 2cr4 n ARG 39 Ca -0.09 -1.51 -0.13 0.00 -0.01 0.00 0.00 57.85 56.11 2cr4 n ARG 39 Cb 0.25 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 30.82 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cr4 n GLY 40 N 0.34 1.39 2.99 -0.13 0.00 -1.19 -4.97 105.19 103.62 2cr4 n GLY 40 Ca 0.13 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -3.08 0.15 0.66 1.61 -1.05 -1.26 -4.82 118.70 110.91 2cr4 s GLU 41 Ca 0.00 0.51 -0.15 0.00 -0.15 0.00 0.00 54.97 55.18 2cr4 s GLU 41 Cb 0.00 -0.14 -0.00 0.00 -0.44 0.00 0.00 34.13 33.55 2cr4 s GLU 41 CO 0.00 -0.19 1.11 -1.25 0.95 0.00 0.00 175.26 175.88 2cr4 s PRO 42 N 1.44 2.81 0.41 -4.83 0.04 -1.26 -4.71 135.00 128.89 2cr4 s PRO 42 Ca -0.07 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 2cr4 s PRO 42 Cb -0.11 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2cr4 s PRO 42 CO -0.08 -1.24 0.78 -0.65 0.04 0.00 0.00 177.00 175.85 2cr4 s GLN 43 N -4.08 3.79 -0.03 4.56 -1.52 -1.26 -4.97 119.66 116.15 2cr4 s GLN 43 Ca 0.67 0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 54.28 2cr4 s GLN 43 Cb -0.21 -2.38 -0.07 0.00 -0.22 0.00 0.00 33.01 30.14 2cr4 s GLN 43 CO 0.41 -0.05 1.84 0.34 -0.25 0.00 0.00 175.29 177.59 2cr4 s ASP 44 N -3.15 6.46 0.00 5.90 2.15 -1.26 -2.07 116.67 124.70 2cr4 s ASP 44 Ca 0.52 2.38 0.00 0.00 0.43 0.00 0.00 52.55 55.88 2cr4 s ASP 44 Cb -0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2cr4 s ASP 44 CO 0.31 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 174.84 2cr4 n GLY 45 N 4.48 0.93 3.57 2.66 0.00 -1.20 -4.69 105.19 110.93 2cr4 n GLY 45 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 3.06 -4.49 0.99 7.94 -0.88 -3.28 117.00 120.33 2cr4 n LEU 46 Ca 0.00 0.29 -0.24 0.00 -1.11 0.00 0.00 56.01 54.95 2cr4 n LEU 46 Cb 0.00 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.36 2cr4 n LEU 46 CO 0.00 -0.65 -0.41 -0.72 -1.11 0.00 0.00 177.39 174.50 2cr4 s TYR 47 N 7.85 2.26 0.29 1.96 1.13 -0.86 0.59 117.35 130.58 2cr4 s TYR 47 Ca 1.02 -0.49 -0.10 0.00 -1.41 0.00 0.00 57.07 56.09 2cr4 s TYR 47 Cb -0.46 -1.20 0.04 0.00 -1.10 0.00 0.00 41.96 39.24 2cr4 s TYR 47 CO 0.39 0.56 0.58 0.00 -2.51 0.00 0.00 175.55 174.56 2cr4 s ILE 49 N -2.36 0.18 0.56 0.00 1.01 -1.04 -2.10 121.20 117.45 2cr4 s ILE 49 Ca 0.12 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.52 2cr4 s ILE 49 Cb -0.03 -0.76 0.06 0.00 0.01 0.00 0.00 42.46 41.73 2cr4 s ILE 49 CO 0.09 -0.24 0.52 0.00 0.00 0.00 0.00 174.94 175.31 2cr4 s ARG 50 N 2.02 2.26 0.17 2.79 1.70 -1.04 -1.86 118.95 124.99 2cr4 s ARG 50 Ca 0.01 -1.94 0.03 0.00 -0.47 0.00 0.00 55.73 53.36 2cr4 s ARG 50 Cb -0.16 -2.24 -0.03 0.00 -0.57 0.00 0.00 34.95 31.94 2cr4 s ARG 50 CO -0.08 -0.71 0.31 -0.80 -1.08 0.00 0.00 175.30 172.93 2cr4 s ASN 51 N -4.40 6.34 -0.05 -2.89 0.01 -0.71 -1.59 114.94 111.65 2cr4 s ASN 51 Ca 0.41 0.16 -0.06 0.00 -0.71 0.00 0.00 52.86 52.66 2cr4 s ASN 51 Cb -0.03 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 2cr4 s ASN 51 CO 0.26 0.02 -0.13 -0.24 -1.51 0.00 0.00 177.10 175.50 2cr4 n SER 52 N -0.76 0.88 -2.62 -1.22 2.88 -1.22 -4.28 113.62 107.28 2cr4 n SER 52 Ca -0.07 0.14 -0.14 0.00 -1.33 0.00 0.00 58.87 57.47 2cr4 n SER 52 Cb 0.55 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 63.47 2cr4 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr4 n SER 53 N -3.37 -0.59 -4.62 -3.46 2.88 -1.26 -4.95 113.62 98.24 2cr4 n SER 53 Ca -0.05 -2.59 -0.43 0.00 -1.33 0.00 0.00 58.87 54.47 2cr4 n SER 53 Cb 0.19 1.33 -0.02 0.00 -0.75 0.00 0.00 64.21 64.95 2cr4 n SER 53 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2cr4 s THR 54 N -2.96 3.71 -1.42 2.46 2.01 -1.26 -3.28 115.64 114.90 2cr4 s THR 54 Ca 0.28 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 63.02 2cr4 s THR 54 Cb 0.01 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2cr4 s THR 54 CO 0.20 -0.39 0.66 0.29 -0.69 0.00 0.00 174.62 174.70 2cr4 n LYS 55 N 7.84 -4.31 -0.04 4.92 4.01 -1.26 -4.88 118.16 124.44 2cr4 n LYS 55 Ca 0.19 0.52 -0.08 0.00 -0.51 0.00 0.00 58.31 58.43 2cr4 n LYS 55 Cb 0.46 -5.00 -0.03 0.00 -0.51 0.00 0.00 35.03 29.94 2cr4 n LYS 55 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2cr4 n SER 56 N -2.95 1.68 0.00 4.39 3.41 -1.20 -5.15 113.62 113.79 2cr4 n SER 56 Ca -0.20 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2cr4 n SER 56 Cb 0.63 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2cr4 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr4 n GLY 57 N 2.70 -0.27 3.49 5.00 0.00 -1.26 -4.95 105.19 109.90 2cr4 n GLY 57 Ca -0.16 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N -2.00 1.72 -0.13 1.61 -0.14 -1.25 -3.38 119.74 116.16 2cr4 s LYS 58 Ca 0.00 -1.94 -0.04 0.00 -1.36 0.00 0.00 55.97 52.63 2cr4 s LYS 58 Cb 0.00 -1.16 0.05 0.00 -1.68 0.00 0.00 37.83 35.04 2cr4 s LYS 58 CO 0.00 -0.09 0.07 0.08 -0.76 0.00 0.00 175.35 174.65 2cr4 s VAL 59 N -3.06 0.00 -0.15 3.17 1.01 -0.62 -0.80 120.40 119.96 2cr4 s VAL 59 Ca 0.35 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 2cr4 s VAL 59 Cb 0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2cr4 s VAL 59 CO 0.15 -0.12 1.31 -0.22 0.00 0.00 0.00 175.10 176.22 2cr4 s LEU 60 N 2.11 4.20 -0.18 3.92 2.96 0.33 -2.48 118.68 129.53 2cr4 s LEU 60 Ca 0.03 1.76 -0.01 0.00 -0.22 0.00 0.00 54.13 55.70 2cr4 s LEU 60 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2cr4 s LEU 60 CO -0.07 -0.77 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.35 2cr4 s VAL 61 N 3.50 2.63 0.20 1.68 1.01 -0.89 0.58 120.40 129.10 2cr4 s VAL 61 Ca 0.57 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2cr4 s VAL 61 Cb -0.23 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2cr4 s VAL 61 CO 0.17 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 175.07 2cr4 s VAL 62 N 1.15 3.63 -0.33 2.92 1.01 -1.26 -0.94 120.40 126.58 2cr4 s VAL 62 Ca 0.01 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 2cr4 s VAL 62 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2cr4 s VAL 62 CO -0.05 -0.19 0.21 0.86 0.00 0.00 0.00 175.10 175.93 2cr4 s TRP 63 N -1.90 3.21 -1.25 5.22 -0.11 0.20 -1.76 118.94 122.55 2cr4 s TRP 63 Ca 0.28 -0.31 -0.13 0.00 1.22 0.00 0.00 56.10 57.17 2cr4 s TRP 63 Cb -0.08 -2.43 0.15 0.00 -1.50 0.00 0.00 33.47 29.60 2cr4 s TRP 63 CO 0.19 -0.38 1.64 -0.25 -4.62 0.00 0.00 176.95 173.53 2cr4 n ASP 64 N 5.06 5.08 -0.21 5.86 8.00 0.15 -3.27 116.55 137.23 2cr4 n ASP 64 Ca -0.13 -3.00 0.31 0.00 0.71 0.00 0.00 54.79 52.67 2cr4 n ASP 64 Cb 0.50 -1.57 0.73 0.00 -0.02 0.00 0.00 41.12 40.75 2cr4 n ASP 64 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2cr4 h GLU 65 N 6.73 0.00 -0.22 -1.24 4.81 -1.87 1.14 114.58 123.92 2cr4 h GLU 65 Ca 0.37 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2cr4 h GLU 65 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2cr4 h GLU 65 CO 1.41 0.00 -0.26 1.79 -0.73 0.00 0.00 179.01 181.22 2cr4 h THR 66 N 0.00 1.26 -0.11 0.32 1.35 -1.94 -3.02 112.91 110.77 2cr4 h THR 66 Ca 0.46 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2cr4 h THR 66 Cb 1.95 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 2cr4 h THR 66 CO -0.00 0.39 0.00 -1.20 -0.25 0.00 0.00 175.52 174.46 2cr4 n SER 67 N -4.12 2.22 -3.96 5.36 7.64 0.20 -4.99 113.62 115.97 2cr4 n SER 67 Ca -0.01 -1.62 -0.29 0.00 1.01 0.00 0.00 58.87 57.96 2cr4 n SER 67 Cb 0.40 -0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.54 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N 0.60 -3.19 -3.83 6.43 2.85 0.33 -4.95 115.26 113.51 2cr4 n ASN 68 Ca 0.08 -0.87 -0.12 0.00 -0.11 0.00 0.00 54.58 53.56 2cr4 n ASN 68 Cb 0.32 -3.53 -0.06 0.00 1.24 0.00 0.00 39.78 37.75 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2cr4 s LYS 69 N -6.58 1.56 0.23 1.20 -2.85 -1.12 -5.00 119.74 107.18 2cr4 s LYS 69 Ca 0.47 -1.52 0.09 0.00 -1.00 0.00 0.00 55.97 54.01 2cr4 s LYS 69 Cb -0.24 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 2cr4 s LYS 69 CO 0.86 -0.61 -0.00 0.14 0.10 0.00 0.00 175.35 175.83 2cr4 s VAL 70 N -3.77 3.55 0.40 1.79 -7.23 -1.26 0.32 120.40 114.20 2cr4 s VAL 70 Ca 0.30 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2cr4 s VAL 70 Cb 0.02 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 34.12 2cr4 s VAL 70 CO 0.14 -0.27 0.11 0.54 -0.31 0.00 0.00 175.10 175.31 2cr4 n ARG 71 N -0.58 0.99 -3.56 4.82 5.12 -0.72 -4.93 116.66 117.80 2cr4 n ARG 71 Ca -0.08 -2.79 -0.22 0.00 -1.93 0.00 0.00 57.85 52.83 2cr4 n ARG 71 Cb 0.57 0.60 -0.15 0.00 -1.16 0.00 0.00 32.46 32.32 2cr4 n ARG 71 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2cr4 s ASN 72 N -3.27 1.77 -0.35 0.55 0.01 -1.26 -4.17 114.94 108.21 2cr4 s ASN 72 Ca 0.08 -0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 51.84 2cr4 s ASN 72 Cb -0.01 0.09 0.07 0.00 0.41 0.00 0.00 41.25 41.82 2cr4 s ASN 72 CO 0.05 -0.33 0.10 -0.31 -1.51 0.00 0.00 177.10 175.10 2cr4 s TYR 73 N 2.24 3.39 0.04 2.20 2.02 0.19 -4.97 117.35 122.46 2cr4 s TYR 73 Ca 0.05 -2.01 -0.30 0.00 -0.37 0.00 0.00 57.07 54.43 2cr4 s TYR 73 Cb -0.16 -2.57 -0.07 0.00 -0.40 0.00 0.00 41.96 38.76 2cr4 s TYR 73 CO -0.10 -0.86 1.63 1.03 -1.57 0.00 0.00 175.55 175.68 2cr4 s ARG 74 N 1.23 4.20 -1.04 -0.62 0.52 -1.26 0.12 118.95 122.11 2cr4 s ARG 74 Ca 0.01 2.27 -0.13 0.00 -0.52 0.00 0.00 55.73 57.36 2cr4 s ARG 74 Cb -0.21 -3.69 0.22 0.00 0.52 0.00 0.00 34.95 31.80 2cr4 s ARG 74 CO -0.02 -0.74 1.09 0.42 0.02 0.00 0.00 175.30 176.07 2cr4 s ILE 75 N 2.93 5.54 1.08 1.52 1.01 0.02 -4.10 121.20 129.20 2cr4 s ILE 75 Ca 0.73 -2.78 -0.13 0.00 0.00 0.00 0.00 60.65 58.46 2cr4 s ILE 75 Cb -0.38 -4.66 0.23 0.00 0.01 0.00 0.00 42.46 37.67 2cr4 s ILE 75 CO 0.31 -1.28 1.07 -0.36 0.00 0.00 0.00 174.94 174.68 2cr4 s PHE 76 N 0.19 1.75 -0.31 3.97 0.08 0.51 -3.92 117.98 120.23 2cr4 s PHE 76 Ca 0.30 0.99 -0.01 0.00 0.12 0.00 0.00 56.93 58.34 2cr4 s PHE 76 Cb -0.08 -3.22 0.10 0.00 -0.57 0.00 0.00 43.02 39.26 2cr4 s PHE 76 CO -0.07 -3.34 0.10 -2.00 -0.10 0.00 0.00 175.22 169.81 2cr4 s GLU 77 N -4.82 0.74 -0.00 0.44 2.12 -1.26 -2.42 118.70 113.49 2cr4 s GLU 77 Ca 0.67 -1.11 0.05 0.00 0.36 0.00 0.00 54.97 54.93 2cr4 s GLU 77 Cb -0.20 -2.02 -0.01 0.00 0.26 0.00 0.00 34.13 32.16 2cr4 s GLU 77 CO 0.60 -0.99 -0.16 0.21 -0.54 0.00 0.00 175.26 174.38 2cr4 s LYS 78 N 1.57 1.25 -0.95 4.30 2.20 -1.14 -4.75 119.74 122.22 2cr4 s LYS 78 Ca 0.10 -0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 2cr4 s LYS 78 Cb -0.17 -1.23 0.06 0.00 -1.51 0.00 0.00 37.83 34.98 2cr4 s LYS 78 CO -0.24 0.33 0.27 -0.25 -0.36 0.00 0.00 175.35 175.10 2cr4 n ASP 79 N 2.55 -2.70 -3.04 1.43 8.00 -1.26 0.11 116.55 121.64 2cr4 n ASP 79 Ca -0.15 -0.15 -0.22 0.00 0.71 0.00 0.00 54.79 54.99 2cr4 n ASP 79 Cb 0.54 -2.31 0.05 0.00 -0.02 0.00 0.00 41.12 39.38 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2cr4 n SER 80 N -2.00 -5.97 -3.61 -2.24 7.64 -1.26 -4.99 113.62 101.20 2cr4 n SER 80 Ca -0.02 -0.35 -0.19 0.00 1.01 0.00 0.00 58.87 59.32 2cr4 n SER 80 Cb 0.53 -4.71 -0.15 0.00 -1.01 0.00 0.00 64.21 58.86 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr4 s LYS 81 N -5.85 0.07 0.22 1.43 1.02 0.31 -4.51 119.74 112.44 2cr4 s LYS 81 Ca 0.38 0.32 -0.32 0.00 0.02 0.00 0.00 55.97 56.38 2cr4 s LYS 81 Cb -0.17 -0.85 -0.12 0.00 -0.52 0.00 0.00 37.83 36.17 2cr4 s LYS 81 CO 0.47 -0.48 1.68 -0.06 -0.92 0.00 0.00 175.35 176.05 2cr4 s PHE 82 N 2.26 2.89 0.03 3.18 0.08 0.37 -2.89 117.98 123.91 2cr4 s PHE 82 Ca 0.04 0.45 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 2cr4 s PHE 82 Cb -0.14 -4.11 -0.02 0.00 -0.57 0.00 0.00 43.02 38.18 2cr4 s PHE 82 CO -0.08 -4.10 0.04 1.52 -0.10 0.00 0.00 175.22 172.50 2cr4 s TYR 83 N 0.94 0.28 -0.07 0.36 -0.85 -1.02 -0.48 117.35 116.51 2cr4 s TYR 83 Ca 0.72 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.68 2cr4 s TYR 83 Cb -0.49 -0.20 -0.05 0.00 0.38 0.00 0.00 41.96 41.60 2cr4 s TYR 83 CO 0.35 -0.32 -0.04 1.28 -1.52 0.00 0.00 175.55 175.30 2cr4 n LEU 84 N 0.88 2.13 -0.11 -3.49 4.77 -1.26 -0.37 117.00 119.55 2cr4 n LEU 84 Ca -0.19 -0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.52 2cr4 n LEU 84 Cb 0.58 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 2cr4 n LEU 84 CO 0.23 0.48 -0.77 -1.84 -1.33 0.00 0.00 177.39 174.16 2cr4 n GLU 85 N -2.56 0.57 0.00 3.23 0.28 -1.26 -4.83 120.64 116.07 2cr4 n GLU 85 Ca -0.12 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2cr4 n GLU 85 Cb 0.65 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.84 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cr4 n GLY 86 N 1.39 0.08 0.61 -1.84 0.00 -1.26 -4.90 105.19 99.28 2cr4 n GLY 86 Ca -0.38 -0.08 0.47 0.00 0.00 0.00 0.00 46.02 46.03 2cr4 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr4 n GLU 87 N 0.00 -0.00 -3.23 1.61 0.28 -1.26 -3.60 120.64 114.43 2cr4 n GLU 87 Ca 0.00 1.00 -0.43 0.00 -0.16 0.00 0.00 57.16 57.57 2cr4 n GLU 87 Cb 0.00 -2.26 -0.07 0.00 1.43 0.00 0.00 31.44 30.54 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr4 s VAL 88 N -4.73 4.98 0.46 3.84 1.01 -1.26 -5.04 120.40 119.66 2cr4 s VAL 88 Ca -0.05 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2cr4 s VAL 88 Cb 0.25 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2cr4 s VAL 88 CO 0.80 -0.59 0.06 -0.76 0.00 0.00 0.00 175.10 174.61 2cr4 s LEU 89 N 2.38 2.17 -0.09 3.92 1.02 -1.24 -4.22 118.68 122.62 2cr4 s LEU 89 Ca 0.14 -1.66 -0.04 0.00 0.02 0.00 0.00 54.13 52.60 2cr4 s LEU 89 Cb -0.18 -0.45 0.05 0.00 0.02 0.00 0.00 46.19 45.64 2cr4 s LEU 89 CO 0.13 -0.88 0.19 -0.36 0.02 0.00 0.00 176.35 175.46 2cr4 s PHE 90 N -3.03 -0.25 0.42 0.29 0.40 0.37 -4.93 117.98 111.25 2cr4 s PHE 90 Ca 0.15 0.69 0.26 0.00 -0.60 0.00 0.00 56.93 57.43 2cr4 s PHE 90 Cb 0.02 -0.14 1.34 0.00 0.51 0.00 0.00 43.02 44.75 2cr4 s PHE 90 CO 0.09 -0.27 1.65 -0.24 0.70 0.00 0.00 175.22 177.15 2cr4 h VAL 91 N 6.24 0.20 -3.25 -0.44 3.04 -1.86 0.11 116.25 120.28 2cr4 h VAL 91 Ca -0.22 -0.05 -0.12 0.00 -1.01 0.00 0.00 66.70 65.30 2cr4 h VAL 91 Cb 1.12 0.03 -0.19 0.00 -2.01 0.00 0.00 31.29 30.25 2cr4 h VAL 91 CO 0.22 0.03 -0.33 -0.44 -1.01 0.00 0.00 177.57 176.04 2cr4 s SER 92 N -4.66 -0.10 0.22 3.17 0.01 -1.26 -4.55 113.70 106.53 2cr4 s SER 92 Ca -0.08 -0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 2cr4 s SER 92 Cb 0.29 0.30 0.37 0.00 0.21 0.00 0.00 66.02 67.18 2cr4 s SER 92 CO 0.81 -0.48 1.69 0.58 0.41 0.00 0.00 173.24 176.25 2cr4 h VAL 93 N 3.74 0.58 -0.69 3.43 2.07 -1.94 -2.56 116.25 120.89 2cr4 h VAL 93 Ca -0.31 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.19 2cr4 h VAL 93 Cb 1.19 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 2cr4 h VAL 93 CO 0.43 0.05 -0.48 1.23 0.02 0.00 0.00 177.57 178.81 2cr4 h GLY 94 N 0.26 -1.17 0.20 2.17 0.00 -1.96 -0.20 103.07 102.36 2cr4 h GLY 94 Ca 0.36 0.83 0.07 0.00 0.00 0.00 0.00 47.33 48.59 2cr4 h GLY 94 CO -0.46 -0.16 -0.15 1.76 0.00 0.00 0.00 176.54 177.53 2cr4 h SER 95 N -0.10 -0.51 -0.69 0.19 0.02 -1.87 -1.41 113.55 109.19 2cr4 h SER 95 Ca 0.11 0.12 0.15 0.00 -0.84 0.00 0.00 61.79 61.34 2cr4 h SER 95 Cb 0.38 0.28 -0.12 0.00 0.14 0.00 0.00 62.40 63.09 2cr4 h SER 95 CO -0.70 -0.18 0.00 -0.03 -1.14 0.00 0.00 176.83 174.78 2cr4 h MET 96 N -0.09 0.11 -0.27 3.45 4.05 -0.94 0.37 114.93 121.61 2cr4 h MET 96 Ca 0.17 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2cr4 h MET 96 Cb 0.35 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 2cr4 h MET 96 CO -0.40 0.07 0.11 0.28 0.23 0.00 0.00 176.91 177.20 2cr4 h VAL 97 N 0.11 0.95 0.00 -5.77 2.07 -0.05 0.65 116.25 114.22 2cr4 h VAL 97 Ca 0.37 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.75 2cr4 h VAL 97 Cb 0.62 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2cr4 h VAL 97 CO -0.59 0.04 -0.26 -0.33 0.02 0.00 0.00 177.57 176.44 2cr4 h GLU 98 N 0.24 0.00 -0.02 1.57 5.08 -0.45 -1.61 114.58 119.39 2cr4 h GLU 98 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2cr4 h GLU 98 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2cr4 h GLU 98 CO -0.11 0.26 -0.08 1.25 -1.00 0.00 0.00 179.01 179.34 2cr4 h HIS 99 N 0.00 0.12 0.00 4.33 2.76 0.55 -3.22 115.15 119.69 2cr4 h HIS 99 Ca -0.00 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 2cr4 h HIS 99 Cb 0.52 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2cr4 h HIS 99 CO 0.00 0.72 -0.23 1.88 -1.30 0.00 0.00 177.93 179.01 2cr4 h TYR 100 N -0.53 0.00 -1.26 5.26 0.05 -0.79 -2.81 116.97 116.90 2cr4 h TYR 100 Ca -0.00 0.00 0.37 0.00 0.05 0.00 0.00 58.73 59.14 2cr4 h TYR 100 Cb 0.73 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.42 2cr4 h TYR 100 CO 0.15 0.23 1.12 0.45 -1.05 0.00 0.00 178.16 179.06 2cr4 h HIS 101 N 0.00 0.00 0.00 4.88 3.86 -1.30 0.25 115.15 122.84 2cr4 h HIS 101 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2cr4 h HIS 101 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2cr4 h HIS 101 CO 0.00 0.00 -1.33 0.25 0.86 0.00 0.00 177.93 177.71 2cr4 n THR 102 N -3.65 0.17 -3.59 2.45 -2.24 -1.08 -4.82 114.28 101.53 2cr4 n THR 102 Ca 0.28 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 2cr4 n THR 102 Cb 1.52 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.30 3.51 0.40 4.78 4.02 0.87 -5.07 115.29 121.50 2cr4 s HIS 103 Ca -0.03 -2.36 -0.18 0.00 1.02 0.00 0.00 55.06 53.52 2cr4 s HIS 103 Cb 0.03 -3.42 -0.14 0.00 -1.02 0.00 0.00 32.58 28.03 2cr4 s HIS 103 CO 0.25 -0.91 0.02 1.55 1.02 0.00 0.00 174.74 176.66 2cr4 n VAL 104 N 3.92 0.39 -1.79 -0.90 3.14 -1.23 -4.44 118.33 117.42 2cr4 n VAL 104 Ca 0.06 -0.46 -0.32 0.00 -2.96 0.00 0.00 64.34 60.66 2cr4 n VAL 104 Cb 0.41 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.23 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 4.18 3.35 0.75 6.55 1.43 -0.85 -4.98 118.68 129.11 2cr4 s LEU 105 Ca 0.53 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 2cr4 s LEU 105 Cb -0.54 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.19 2cr4 s LEU 105 CO 0.58 -1.45 1.10 -2.16 0.23 0.00 0.00 176.35 174.65 2cr4 s PRO 106 N -4.33 2.38 -0.51 1.29 0.04 -1.26 -3.78 135.00 128.83 2cr4 s PRO 106 Ca 0.63 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2cr4 s PRO 106 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2cr4 s PRO 106 CO 0.43 -1.55 0.00 0.43 0.04 0.00 0.00 177.00 176.35 2cr4 n SER 107 N -3.27 -2.95 -2.10 6.66 7.64 -1.26 -4.99 113.62 113.35 2cr4 n SER 107 Ca 0.09 0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 2cr4 n SER 107 Cb 0.53 -1.62 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2cr4 n HIS 108 N -3.43 -1.65 -0.02 1.43 -0.00 -1.25 -5.10 115.22 105.20 2cr4 n HIS 108 Ca -0.06 -1.18 -0.06 0.00 -0.00 0.00 0.00 57.72 56.41 2cr4 n HIS 108 Cb 0.36 0.51 -0.02 0.00 -0.00 0.00 0.00 29.99 30.84 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.33 0.23 -2.96 1.57 10.64 -1.26 -4.89 117.38 120.38 2cr4 n GLN 109 Ca -0.04 0.09 -0.18 0.00 -1.83 0.00 0.00 57.00 55.04 2cr4 n GLN 109 Cb 0.36 -0.89 -0.01 0.00 -0.86 0.00 0.00 30.24 28.83 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2cr4 n SER 110 N -3.79 1.92 -4.20 2.61 7.64 -1.26 -4.92 113.62 111.62 2cr4 n SER 110 Ca -0.11 -3.11 -0.41 0.00 1.01 0.00 0.00 58.87 56.25 2cr4 n SER 110 Cb 0.35 -0.58 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cr4 s LEU 111 N -2.87 5.79 0.38 -3.43 2.96 -1.26 -5.05 118.68 115.20 2cr4 s LEU 111 Ca 0.39 -2.29 0.08 0.00 -0.22 0.00 0.00 54.13 52.09 2cr4 s LEU 111 Cb 0.37 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2cr4 s LEU 111 CO -0.07 -0.59 0.25 -0.76 -1.32 0.00 0.00 176.35 173.86 2cr4 s LEU 112 N 0.79 3.32 -0.51 -0.68 1.43 -1.26 -2.01 118.68 119.76 2cr4 s LEU 112 Ca 0.11 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.21 2cr4 s LEU 112 Cb -0.22 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.22 2cr4 s LEU 112 CO -0.03 -0.48 0.68 -0.76 0.23 0.00 0.00 176.35 175.99 2cr4 s LEU 113 N -3.97 4.81 -0.14 1.79 1.43 -1.26 -4.52 118.68 116.81 2cr4 s LEU 113 Ca 0.42 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2cr4 s LEU 113 Cb -0.02 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2cr4 s LEU 113 CO 0.25 -0.94 -0.22 0.54 0.23 0.00 0.00 176.35 176.21 2cr4 n ARG 114 N 6.38 0.43 -4.56 1.70 1.74 -1.21 -4.78 116.66 116.35 2cr4 n ARG 114 Ca -0.05 0.36 -0.23 0.00 -0.77 0.00 0.00 57.85 57.16 2cr4 n ARG 114 Cb 0.46 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.28 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.35 1.25 1.23 -1.55 3.76 -1.23 -5.04 115.29 111.36 2cr4 s HIS 115 Ca -0.18 -0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 54.19 2cr4 s HIS 115 Cb 0.03 -0.87 0.30 0.00 1.11 0.00 0.00 32.58 33.15 2cr4 s HIS 115 CO 0.27 -0.13 1.11 -1.25 -0.85 0.00 0.00 174.74 173.90 2cr4 s PRO 116 N 0.15 -1.44 0.21 8.40 0.04 -1.26 -2.03 135.00 139.07 2cr4 s PRO 116 Ca -0.04 -0.14 -0.08 0.00 0.04 0.00 0.00 61.00 60.79 2cr4 s PRO 116 Cb -0.10 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.80 2cr4 s PRO 116 CO 0.01 -3.84 0.50 -0.47 0.04 0.00 0.00 177.00 173.24 2cr4 s TYR 117 N -3.01 3.44 -2.00 0.56 5.04 0.42 -4.09 117.35 117.72 2cr4 s TYR 117 Ca 0.72 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2cr4 s TYR 117 Cb -0.08 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.06 2cr4 s TYR 117 CO 0.56 0.30 0.00 0.41 -1.34 0.00 0.00 175.55 175.48 2cr4 n GLY 118 N -0.18 1.71 3.43 8.97 0.00 -1.26 -2.45 105.19 115.42 2cr4 n GLY 118 Ca -0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2cr4 n GLY 118 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2cr4 s TYR 119 N -2.72 2.46 -0.18 1.61 5.04 -1.26 -4.74 117.35 117.57 2cr4 s TYR 119 Ca 0.00 -0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.28 2cr4 s TYR 119 Cb 0.00 -1.38 -0.03 0.00 0.35 0.00 0.00 41.96 40.91 2cr4 s TYR 119 CO 0.00 0.29 -0.02 -0.08 -1.34 0.00 0.00 175.55 174.40 2cr4 s THR 120 N -0.99 3.95 -0.29 4.34 -1.32 -1.26 -4.94 115.64 115.13 2cr4 s THR 120 Ca 0.15 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.31 2cr4 s THR 120 Cb -0.10 -2.76 0.09 0.00 -1.51 0.00 0.00 72.50 68.22 2cr4 s THR 120 CO 0.06 0.46 0.04 -0.94 -2.21 0.00 0.00 174.62 172.03 2cr4 s SER 121 N 0.63 4.10 0.00 8.08 1.04 -1.26 -5.01 113.70 121.28 2cr4 s SER 121 Ca -0.01 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.84 2cr4 s SER 121 Cb -0.14 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2cr4 s SER 121 CO 0.02 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2cr4 n GLY 122 N 4.65 2.85 0.00 7.32 0.00 -1.26 -4.97 105.19 113.78 2cr4 n GLY 122 Ca -0.04 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.70 2cr4 n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr4 n PRO 123 N 0.00 0.36 -3.65 1.61 -0.04 -1.26 -4.56 135.00 127.46 2cr4 n PRO 123 Ca 0.00 0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 2cr4 n PRO 123 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 2cr4 n PRO 123 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cr4 s SER 124 N -2.26 5.54 1.15 3.54 1.04 -1.26 -5.06 113.70 116.40 2cr4 s SER 124 Ca 0.19 -0.69 -0.18 0.00 0.48 0.00 0.00 55.95 55.76 2cr4 s SER 124 Cb 0.10 -1.99 0.17 0.00 0.10 0.00 0.00 66.02 64.40 2cr4 s SER 124 CO 0.20 -0.25 0.26 -1.54 0.98 0.00 0.00 173.24 172.89 2cr4 n SER 125 N 4.97 -2.46 0.00 7.02 3.41 -1.26 -5.15 113.62 120.15 2cr4 n SER 125 Ca -0.13 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2cr4 n SER 125 Cb 0.48 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2cr4 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49