#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 -0.73 0.29 1.61 0.15 -1.26 -5.14 113.70 108.62 2cr5 s SER 2 Ca 0.00 1.18 -0.27 0.00 0.70 0.00 0.00 55.95 57.56 2cr5 s SER 2 Cb 0.00 1.84 -0.14 0.00 -1.71 0.00 0.00 66.02 66.01 2cr5 s SER 2 CO 0.00 -0.23 0.85 -0.24 1.20 0.00 0.00 173.24 174.81 2cr5 n SER 3 N 5.42 0.49 0.00 5.45 2.88 -1.26 -4.91 113.62 121.68 2cr5 n SER 3 Ca -0.09 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2cr5 n SER 3 Cb 0.49 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2cr5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr5 n GLY 4 N 1.45 2.75 3.72 0.46 0.00 -1.26 -5.18 105.19 107.12 2cr5 n GLY 4 Ca 0.12 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N 2.00 4.15 0.08 1.61 1.04 -1.26 -5.06 113.70 116.26 2cr5 s SER 5 Ca 0.00 -1.37 -0.30 0.00 0.48 0.00 0.00 55.95 54.76 2cr5 s SER 5 Cb 0.00 -0.09 -0.14 0.00 0.10 0.00 0.00 66.02 65.90 2cr5 s SER 5 CO 0.00 -0.64 1.48 0.28 0.98 0.00 0.00 173.24 175.34 2cr5 h SER 6 N 1.48 -1.33 -3.76 7.02 0.02 -2.03 -3.42 113.55 111.53 2cr5 h SER 6 Ca -0.43 0.13 -0.55 0.00 -0.84 0.00 0.00 61.79 60.10 2cr5 h SER 6 Cb 1.27 0.47 0.12 0.00 0.14 0.00 0.00 62.40 64.40 2cr5 h SER 6 CO 0.74 -0.52 0.62 0.61 -1.14 0.00 0.00 176.83 177.15 2cr5 n GLY 7 N -1.45 0.84 3.34 -3.77 0.00 -1.26 -4.92 105.19 97.98 2cr5 n GLY 7 Ca -0.08 0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr5 n GLU 8 N 0.04 3.55 -4.02 1.61 1.02 -1.26 -5.01 120.64 116.58 2cr5 n GLU 8 Ca 0.05 -4.19 -0.36 0.00 -0.02 0.00 0.00 57.16 52.64 2cr5 n GLU 8 Cb 0.40 -2.75 -0.08 0.00 -0.02 0.00 0.00 31.44 28.99 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 9 N -0.26 5.09 0.84 2.62 0.11 -1.26 -5.10 120.40 122.44 2cr5 s VAL 9 Ca 0.36 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.35 2cr5 s VAL 9 Cb -0.05 -3.22 0.09 0.00 -1.53 0.00 0.00 36.38 31.67 2cr5 s VAL 9 CO -0.03 0.58 1.09 -2.16 -3.33 0.00 0.00 175.10 171.25 2cr5 s PRO 10 N -0.71 1.75 0.29 1.54 0.04 -1.26 -5.07 135.00 131.57 2cr5 s PRO 10 Ca 0.13 0.99 0.12 0.00 0.04 0.00 0.00 61.00 62.27 2cr5 s PRO 10 Cb -0.12 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2cr5 s PRO 10 CO 0.03 -1.95 -0.18 0.34 0.04 0.00 0.00 177.00 175.28 2cr5 s ASP 11 N -3.41 3.64 -0.05 6.66 2.15 -1.26 -5.10 116.67 119.30 2cr5 s ASP 11 Ca 0.62 -1.04 -0.06 0.00 0.43 0.00 0.00 52.55 52.50 2cr5 s ASP 11 Cb -0.18 -0.33 -0.04 0.00 -0.30 0.00 0.00 42.92 42.08 2cr5 s ASP 11 CO 0.56 0.01 0.20 -0.76 -0.17 0.00 0.00 175.17 175.01 2cr5 s LEU 12 N -3.53 4.39 0.86 -1.34 1.43 -1.26 -5.07 118.68 114.15 2cr5 s LEU 12 Ca 0.30 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 2cr5 s LEU 12 Cb -0.04 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 43.90 2cr5 s LEU 12 CO 0.15 0.33 1.09 -2.16 0.23 0.00 0.00 176.35 176.00 2cr5 s PRO 13 N -1.43 1.58 0.33 1.29 0.04 -1.26 -4.96 135.00 130.60 2cr5 s PRO 13 Ca 0.22 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 2cr5 s PRO 13 Cb -0.13 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2cr5 s PRO 13 CO 0.11 -2.05 1.34 -1.91 0.04 0.00 0.00 177.00 174.54 2cr5 n GLU 14 N -3.77 2.22 -2.88 4.56 2.13 -1.26 -4.95 120.64 116.69 2cr5 n GLU 14 Ca 0.08 0.78 -0.40 0.00 0.66 0.00 0.00 57.16 58.28 2cr5 n GLU 14 Cb 0.55 -2.40 -0.05 0.00 0.27 0.00 0.00 31.44 29.80 2cr5 n GLU 14 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2cr5 s GLU 15 N -1.71 4.62 0.31 5.31 2.12 -1.26 -5.03 118.70 123.06 2cr5 s GLU 15 Ca 0.57 1.26 -0.29 0.00 0.36 0.00 0.00 54.97 56.86 2cr5 s GLU 15 Cb -0.56 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.41 2cr5 s GLU 15 CO 0.61 0.38 1.23 -1.25 -0.54 0.00 0.00 175.26 175.69 2cr5 s PRO 16 N -0.52 4.46 1.01 4.30 0.04 -1.26 -5.00 135.00 138.04 2cr5 s PRO 16 Ca 0.40 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 2cr5 s PRO 16 Cb -0.23 -3.12 0.09 0.00 0.04 0.00 0.00 34.50 31.28 2cr5 s PRO 16 CO 0.27 -0.04 0.42 0.43 0.04 0.00 0.00 177.00 178.12 2cr5 n SER 17 N 1.00 -1.88 -0.21 6.66 7.64 -1.26 -4.81 113.62 120.76 2cr5 n SER 17 Ca -0.00 0.17 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 2cr5 n SER 17 Cb 0.43 -1.17 0.10 0.00 -1.01 0.00 0.00 64.21 62.56 2cr5 n SER 17 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2cr5 h GLU 18 N -1.84 0.51 -0.37 1.43 4.81 -2.01 -2.07 114.58 115.04 2cr5 h GLU 18 Ca -0.48 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2cr5 h GLU 18 Cb 1.31 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2cr5 h GLU 18 CO 0.37 0.34 0.03 0.25 -0.73 0.00 0.00 179.01 179.28 2cr5 n THR 19 N -4.90 2.48 -0.68 0.32 -2.24 -1.26 -5.02 114.28 102.97 2cr5 n THR 19 Ca 0.09 -2.02 -0.23 0.00 -2.27 0.00 0.00 64.05 59.62 2cr5 n THR 19 Cb 0.23 -0.29 0.11 0.00 -2.10 0.00 0.00 70.33 68.28 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 n ALA 20 N -0.57 -1.64 -2.12 6.98 0.00 -0.78 -4.93 120.51 117.45 2cr5 n ALA 20 Ca 0.28 -1.01 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 2cr5 n ALA 20 Cb 1.02 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cr5 s GLU 21 N -2.96 4.22 -1.08 0.00 0.41 -1.26 -4.18 118.70 113.85 2cr5 s GLU 21 Ca 0.35 0.83 -0.04 0.00 -0.41 0.00 0.00 54.97 55.70 2cr5 s GLU 21 Cb -0.03 -2.86 0.01 0.00 -1.78 0.00 0.00 34.13 29.47 2cr5 s GLU 21 CO 0.42 0.39 0.08 0.39 -0.49 0.00 0.00 175.26 176.05 2cr5 n GLU 22 N 0.67 -0.87 -4.81 1.61 4.71 -1.26 -4.77 120.64 115.92 2cr5 n GLU 22 Ca -0.02 0.04 -0.25 0.00 -0.01 0.00 0.00 57.16 56.92 2cr5 n GLU 22 Cb 0.51 -2.39 -0.16 0.00 -1.01 0.00 0.00 31.44 28.39 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2cr5 s VAL 23 N -3.99 1.35 0.41 2.62 0.11 -1.26 -0.12 120.40 119.52 2cr5 s VAL 23 Ca 0.06 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.45 2cr5 s VAL 23 Cb -0.03 -1.14 -0.07 0.00 -1.53 0.00 0.00 36.38 33.61 2cr5 s VAL 23 CO 0.72 0.39 0.02 0.68 -3.33 0.00 0.00 175.10 173.57 2cr5 s VAL 24 N -0.26 1.79 -0.19 2.04 -7.23 -0.27 -4.90 120.40 111.37 2cr5 s VAL 24 Ca 0.03 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2cr5 s VAL 24 Cb -0.08 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2cr5 s VAL 24 CO 0.00 0.00 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.87 2cr5 s THR 25 N -2.80 3.70 -0.13 5.32 2.01 -1.26 -0.52 115.64 121.96 2cr5 s THR 25 Ca 0.32 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.92 2cr5 s THR 25 Cb 0.09 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2cr5 s THR 25 CO 0.16 0.45 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.70 2cr5 s VAL 26 N 0.96 1.57 0.01 3.82 1.01 0.45 -1.93 120.40 126.28 2cr5 s VAL 26 Ca 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 2cr5 s VAL 26 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2cr5 s VAL 26 CO 0.01 0.46 0.11 0.00 0.00 0.00 0.00 175.10 175.68 2cr5 s ALA 27 N 1.27 3.68 -0.18 5.51 0.00 -1.12 -2.16 121.76 128.77 2cr5 s ALA 27 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2cr5 s ALA 27 Cb -0.14 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2cr5 s ALA 27 CO -0.07 0.72 -0.10 -0.51 0.00 0.00 0.00 175.76 175.80 2cr5 s LEU 28 N -1.93 2.69 -0.24 0.00 1.43 0.63 -0.28 118.68 120.97 2cr5 s LEU 28 Ca 0.26 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 2cr5 s LEU 28 Cb -0.12 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2cr5 s LEU 28 CO 0.17 0.05 0.63 -0.13 0.23 0.00 0.00 176.35 177.29 2cr5 s ARG 29 N 1.07 4.14 0.23 1.70 0.52 -0.87 -1.79 118.95 123.95 2cr5 s ARG 29 Ca 0.00 0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 55.65 2cr5 s ARG 29 Cb -0.15 -3.63 -0.08 0.00 0.52 0.00 0.00 34.95 31.62 2cr5 s ARG 29 CO -0.02 -0.36 0.59 0.00 0.02 0.00 0.00 175.30 175.53 2cr5 n PRO 31 N 0.08 0.31 0.03 0.00 -0.04 -1.26 -2.12 135.00 131.99 2cr5 n PRO 31 Ca -0.00 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2cr5 n PRO 31 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cr5 n ASN 32 N -1.18 0.54 0.00 3.54 6.94 -1.26 -4.98 115.26 118.87 2cr5 n ASN 32 Ca 0.09 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.87 2cr5 n ASN 32 Cb 0.09 0.82 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2cr5 n GLY 33 N 1.33 1.50 3.82 4.83 0.00 -0.90 -5.12 105.19 110.64 2cr5 n GLY 33 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 3.63 -0.11 1.61 0.52 -1.26 -4.84 118.95 118.50 2cr5 s ARG 34 Ca 0.00 1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 56.30 2cr5 s ARG 34 Cb 0.00 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.43 2cr5 s ARG 34 CO 0.00 -0.54 0.02 0.08 0.02 0.00 0.00 175.30 174.88 2cr5 s VAL 35 N -2.49 0.36 -0.15 3.52 1.01 -1.26 -1.06 120.40 120.33 2cr5 s VAL 35 Ca 0.62 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2cr5 s VAL 35 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2cr5 s VAL 35 CO 0.33 0.07 0.44 -0.76 0.00 0.00 0.00 175.10 175.19 2cr5 s LEU 36 N 1.96 4.24 -0.23 3.92 1.43 -0.74 -4.91 118.68 124.35 2cr5 s LEU 36 Ca 0.03 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2cr5 s LEU 36 Cb -0.14 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 2cr5 s LEU 36 CO -0.06 -0.02 0.02 -0.13 0.23 0.00 0.00 176.35 176.39 2cr5 s ARG 37 N 0.83 3.58 0.07 1.70 0.52 -1.26 -0.27 118.95 124.12 2cr5 s ARG 37 Ca 0.23 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 2cr5 s ARG 37 Cb -0.15 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2cr5 s ARG 37 CO 0.09 -0.12 -0.05 0.50 0.02 0.00 0.00 175.30 175.74 2cr5 s ARG 38 N 1.36 0.68 0.30 3.54 3.52 -0.92 -5.00 118.95 122.43 2cr5 s ARG 38 Ca 0.05 -1.21 0.03 0.00 -0.13 0.00 0.00 55.73 54.46 2cr5 s ARG 38 Cb -0.15 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 2cr5 s ARG 38 CO 0.01 -0.06 0.46 1.03 -0.81 0.00 0.00 175.30 175.93 2cr5 s ARG 39 N -3.65 3.40 -0.25 5.12 0.52 -1.26 -0.41 118.95 122.41 2cr5 s ARG 39 Ca 0.07 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.53 2cr5 s ARG 39 Cb 0.05 -2.78 0.08 0.00 0.52 0.00 0.00 34.95 32.82 2cr5 s ARG 39 CO -0.07 0.25 0.60 -0.06 0.02 0.00 0.00 175.30 176.04 2cr5 s PHE 40 N -2.16 -0.99 1.33 -0.53 0.40 0.32 -4.72 117.98 111.64 2cr5 s PHE 40 Ca 0.38 1.93 -0.20 0.00 -0.60 0.00 0.00 56.93 58.45 2cr5 s PHE 40 Cb -0.09 0.56 0.32 0.00 0.51 0.00 0.00 43.02 44.31 2cr5 s PHE 40 CO 0.32 -0.50 0.78 1.19 0.70 0.00 0.00 175.22 177.71 2cr5 n PHE 41 N 4.54 -2.81 0.20 0.36 3.72 -1.26 -1.12 117.46 121.09 2cr5 n PHE 41 Ca -0.19 -0.48 0.11 0.00 -0.05 0.00 0.00 57.45 56.84 2cr5 n PHE 41 Cb 0.56 -1.45 -0.03 0.00 -0.94 0.00 0.00 39.48 37.62 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -4.86 0.54 0.14 -1.08 5.02 0.83 -4.00 118.16 114.75 2cr5 n LYS 42 Ca 0.09 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 2cr5 n LYS 42 Cb 0.56 -1.70 0.05 0.00 -0.02 0.00 0.00 35.03 33.92 2cr5 n LYS 42 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2cr5 h SER 43 N 0.00 0.00 -3.54 4.39 4.64 -1.92 -3.21 113.55 113.90 2cr5 h SER 43 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2cr5 h SER 43 Cb 0.93 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.07 2cr5 h SER 43 CO 0.00 0.31 0.68 0.26 -0.87 0.00 0.00 176.83 177.21 2cr5 s TRP 44 N -3.07 3.12 0.08 4.77 0.51 -1.26 -4.72 118.94 118.37 2cr5 s TRP 44 Ca 0.03 1.23 -0.13 0.00 -2.12 0.00 0.00 56.10 55.11 2cr5 s TRP 44 Cb 0.07 -3.69 -0.06 0.00 -0.81 0.00 0.00 33.47 28.98 2cr5 s TRP 44 CO 0.74 -2.11 0.47 1.21 -0.51 0.00 0.00 176.95 176.75 2cr5 s ASN 45 N 0.06 6.77 0.36 2.95 3.84 -1.26 -1.45 114.94 126.21 2cr5 s ASN 45 Ca 0.55 0.96 0.30 0.00 0.21 0.00 0.00 52.86 54.88 2cr5 s ASN 45 Cb -0.39 -2.25 1.16 0.00 -0.55 0.00 0.00 41.25 39.22 2cr5 s ASN 45 CO 0.44 0.19 1.12 -1.54 -2.79 0.00 0.00 177.10 174.53 2cr5 n SER 46 N 1.14 0.08 -0.16 -4.21 3.41 -1.26 0.40 113.62 113.01 2cr5 n SER 46 Ca -0.09 0.86 -0.08 0.00 -0.26 0.00 0.00 58.87 59.31 2cr5 n SER 46 Cb 0.52 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 -0.24 -1.64 4.33 1.08 -1.92 0.36 115.11 117.08 2cr5 h GLN 47 Ca 0.66 0.02 0.48 0.00 -1.45 0.00 0.00 58.65 58.36 2cr5 h GLN 47 Cb 2.38 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 29.78 2cr5 h GLN 47 CO -0.18 -0.16 1.16 -0.24 -0.95 0.00 0.00 178.83 178.47 2cr5 h VAL 48 N -0.25 0.14 0.06 -0.54 3.04 -0.44 0.44 116.25 118.70 2cr5 h VAL 48 Ca 0.18 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.86 2cr5 h VAL 48 Cb 0.56 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 2cr5 h VAL 48 CO -0.61 0.00 -0.03 -0.07 -1.01 0.00 0.00 177.57 175.85 2cr5 h LEU 49 N 0.02 -0.06 -1.31 3.16 3.38 -0.42 -2.73 115.31 117.35 2cr5 h LEU 49 Ca 0.82 -0.15 0.40 0.00 0.09 0.00 0.00 57.88 59.03 2cr5 h LEU 49 Cb 3.13 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 43.77 2cr5 h LEU 49 CO -0.09 0.12 0.76 -0.07 0.09 0.00 0.00 178.44 179.25 2cr5 h LEU 50 N -0.24 0.31 0.10 1.67 3.38 -0.10 0.34 115.31 120.76 2cr5 h LEU 50 Ca -0.01 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2cr5 h LEU 50 Cb 0.21 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2cr5 h LEU 50 CO 0.01 -0.17 -0.05 -0.78 0.09 0.00 0.00 178.44 177.55 2cr5 h ASP 51 N 0.15 -0.11 -0.49 -0.43 1.82 -1.51 -2.65 116.42 113.19 2cr5 h ASP 51 Ca 0.78 -0.36 0.03 0.00 -0.39 0.00 0.00 57.03 57.10 2cr5 h ASP 51 Cb 2.29 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 42.30 2cr5 h ASP 51 CO -0.46 0.32 0.33 -0.25 -1.61 0.00 0.00 179.24 177.57 2cr5 h TRP 52 N -0.57 0.54 -0.16 0.28 7.01 -0.32 -0.88 115.95 121.84 2cr5 h TRP 52 Ca -0.01 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 2cr5 h TRP 52 Cb 0.47 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2cr5 h TRP 52 CO 0.06 0.32 -0.28 1.98 -2.79 0.00 0.00 178.44 177.73 2cr5 h MET 53 N 0.56 0.31 0.00 2.65 4.05 -0.76 -2.31 114.93 119.43 2cr5 h MET 53 Ca 0.20 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2cr5 h MET 53 Cb 0.10 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2cr5 h MET 53 CO -0.05 0.57 -0.05 0.52 0.23 0.00 0.00 176.91 178.13 2cr5 h MET 54 N 0.27 0.00 0.00 0.39 2.86 -0.49 -1.46 114.93 116.51 2cr5 h MET 54 Ca 0.04 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 2cr5 h MET 54 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2cr5 h MET 54 CO 0.05 0.05 -0.65 0.87 1.06 0.00 0.00 176.91 178.28 2cr5 h LYS 55 N 0.00 0.00 0.00 1.72 1.79 -0.84 -3.28 116.57 115.96 2cr5 h LYS 55 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2cr5 h LYS 55 Cb 1.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2cr5 h LYS 55 CO 0.01 0.42 -0.98 -0.39 -1.08 0.00 0.00 179.45 177.42 2cr5 h VAL 56 N 0.00 1.62 0.00 0.50 -1.51 -1.41 -3.47 116.25 111.97 2cr5 h VAL 56 Ca -0.03 -3.30 0.00 0.00 -1.23 0.00 0.00 66.70 62.14 2cr5 h VAL 56 Cb 1.39 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 33.34 2cr5 h VAL 56 CO 0.06 0.92 0.00 0.61 -1.23 0.00 0.00 177.57 177.93 2cr5 n GLY 57 N 1.35 1.04 3.21 5.19 0.00 -1.19 -5.13 105.19 109.65 2cr5 n GLY 57 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.14 -0.62 0.61 1.61 2.02 -0.55 -5.03 117.35 114.24 2cr5 s TYR 58 Ca 0.00 1.28 -0.10 0.00 -0.37 0.00 0.00 57.07 57.88 2cr5 s TYR 58 Cb 0.00 0.21 0.15 0.00 -0.40 0.00 0.00 41.96 41.92 2cr5 s TYR 58 CO 0.00 -0.39 0.57 1.58 -1.57 0.00 0.00 175.55 175.74 2cr5 n HIS 59 N 4.85 -3.51 -0.06 2.71 -0.00 -1.26 -1.91 115.22 116.04 2cr5 n HIS 59 Ca -0.15 -0.51 -0.07 0.00 0.46 0.00 0.00 57.72 57.44 2cr5 n HIS 59 Cb 0.52 -0.57 -0.08 0.00 -0.12 0.00 0.00 29.99 29.74 2cr5 n HIS 59 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2cr5 n LYS 60 N -3.10 1.51 0.21 1.57 -0.00 -1.26 -3.63 118.16 113.46 2cr5 n LYS 60 Ca 0.08 0.03 0.10 0.00 -0.00 0.00 0.00 58.31 58.51 2cr5 n LYS 60 Cb 0.30 -1.29 0.25 0.00 -0.00 0.00 0.00 35.03 34.28 2cr5 n LYS 60 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2cr5 h SER 61 N 0.00 0.00 0.08 -5.58 0.02 -1.99 -3.28 113.55 102.80 2cr5 h SER 61 Ca -0.31 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.28 2cr5 h SER 61 Cb 1.63 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.10 2cr5 h SER 61 CO -0.01 0.16 -2.28 0.18 -1.14 0.00 0.00 176.83 173.74 2cr5 n LEU 62 N -3.17 0.92 -4.22 5.07 4.77 -1.26 -4.82 117.00 114.29 2cr5 n LEU 62 Ca 0.02 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 2cr5 n LEU 62 Cb 0.54 0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.52 2cr5 n LEU 62 CO 0.35 0.60 -0.53 -0.31 -1.33 0.00 0.00 177.39 176.16 2cr5 s TYR 63 N -2.52 1.94 0.42 -1.77 1.51 -1.24 -1.33 117.35 114.37 2cr5 s TYR 63 Ca -0.15 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 2cr5 s TYR 63 Cb 0.07 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2cr5 s TYR 63 CO 0.78 -0.07 0.18 -0.98 -1.11 0.00 0.00 175.55 174.35 2cr5 s ARG 64 N -0.40 2.22 0.21 -0.62 1.70 0.14 -4.17 118.95 118.03 2cr5 s ARG 64 Ca 0.05 -1.88 0.05 0.00 -0.47 0.00 0.00 55.73 53.49 2cr5 s ARG 64 Cb -0.09 -1.97 -0.04 0.00 -0.57 0.00 0.00 34.95 32.29 2cr5 s ARG 64 CO 0.00 -0.15 0.23 -0.51 -1.08 0.00 0.00 175.30 173.78 2cr5 s LEU 65 N -3.92 4.00 0.14 -1.89 1.43 -1.26 -1.47 118.68 115.72 2cr5 s LEU 65 Ca 0.39 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 2cr5 s LEU 65 Cb 0.04 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.72 2cr5 s LEU 65 CO 0.22 0.00 0.42 -0.44 0.23 0.00 0.00 176.35 176.78 2cr5 s SER 66 N -3.55 -0.22 0.66 2.29 0.01 0.63 -1.54 113.70 111.99 2cr5 s SER 66 Ca 0.33 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.11 2cr5 s SER 66 Cb -0.09 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2cr5 s SER 66 CO 0.26 -0.90 1.01 0.42 0.41 0.00 0.00 173.24 174.43 2cr5 s THR 67 N -3.83 3.31 0.05 1.44 -4.23 -1.16 0.13 115.64 111.35 2cr5 s THR 67 Ca 0.05 0.15 -0.31 0.00 -1.18 0.00 0.00 61.69 60.40 2cr5 s THR 67 Cb 0.01 -3.38 -0.17 0.00 1.34 0.00 0.00 72.50 70.30 2cr5 s THR 67 CO -0.09 -0.44 1.44 0.77 -0.54 0.00 0.00 174.62 175.76 2cr5 h SER 68 N -0.47 -0.95 -3.61 3.99 4.64 -1.89 -3.40 113.55 111.86 2cr5 h SER 68 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2cr5 h SER 68 Cb 1.27 0.25 -0.23 0.00 -0.31 0.00 0.00 62.40 63.37 2cr5 h SER 68 CO 0.62 -0.67 0.24 0.72 -0.87 0.00 0.00 176.83 176.88 2cr5 s PHE 69 N -5.40 -0.69 0.68 4.77 -0.71 -1.26 -4.18 117.98 111.19 2cr5 s PHE 69 Ca -0.16 1.65 -0.14 0.00 -1.04 0.00 0.00 56.93 57.23 2cr5 s PHE 69 Cb 0.02 0.33 0.01 0.00 -1.21 0.00 0.00 43.02 42.17 2cr5 s PHE 69 CO 0.49 -0.33 1.11 -1.25 -1.34 0.00 0.00 175.22 173.89 2cr5 s PRO 70 N 0.44 2.69 -0.25 1.99 0.04 -1.26 -5.06 135.00 133.59 2cr5 s PRO 70 Ca 0.00 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 2cr5 s PRO 70 Cb -0.05 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2cr5 s PRO 70 CO -0.03 -1.33 1.90 0.50 0.04 0.00 0.00 177.00 178.07 2cr5 s ARG 71 N -4.27 3.42 -0.02 4.56 3.52 -1.26 -4.69 118.95 120.21 2cr5 s ARG 71 Ca 0.66 1.73 -0.03 0.00 -0.13 0.00 0.00 55.73 57.95 2cr5 s ARG 71 Cb -0.20 -4.22 0.00 0.00 -1.56 0.00 0.00 34.95 28.98 2cr5 s ARG 71 CO 0.45 -1.76 0.08 0.50 -0.81 0.00 0.00 175.30 173.76 2cr5 s ARG 72 N 5.60 0.20 -0.34 5.12 3.52 -1.26 -5.02 118.95 126.77 2cr5 s ARG 72 Ca 0.85 -0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 56.09 2cr5 s ARG 72 Cb -0.27 0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.21 2cr5 s ARG 72 CO 0.34 -0.04 1.31 0.00 -0.81 0.00 0.00 175.30 176.10 2cr5 s ALA 73 N -0.42 3.28 0.35 6.12 0.00 -1.26 -3.00 121.76 126.83 2cr5 s ALA 73 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 2cr5 s ALA 73 Cb -0.03 -3.82 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 2cr5 s ALA 73 CO 0.00 -1.94 0.84 -0.51 0.00 0.00 0.00 175.76 174.15 2cr5 s LEU 74 N 4.60 4.10 -0.58 0.00 1.43 -0.59 -5.00 118.68 122.64 2cr5 s LEU 74 Ca 0.57 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2cr5 s LEU 74 Cb -0.15 -4.16 0.15 0.00 0.03 0.00 0.00 46.19 42.05 2cr5 s LEU 74 CO 0.26 -0.20 0.35 -1.61 0.23 0.00 0.00 176.35 175.38 2cr5 s GLU 75 N -2.77 2.26 -0.22 1.70 2.02 -1.26 -4.52 118.70 115.91 2cr5 s GLU 75 Ca 0.55 -2.66 -0.41 0.00 0.02 0.00 0.00 54.97 52.47 2cr5 s GLU 75 Cb -0.12 -3.50 -0.18 0.00 0.10 0.00 0.00 34.13 30.44 2cr5 s GLU 75 CO 0.17 -1.15 1.51 1.33 0.02 0.00 0.00 175.26 177.15 2cr5 n VAL 76 N 3.15 0.11 -3.36 2.63 0.24 -1.26 -4.91 118.33 114.94 2cr5 n VAL 76 Ca 0.07 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.97 2cr5 n VAL 76 Cb 0.34 -0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 31.90 2cr5 n VAL 76 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2cr5 s GLU 77 N 2.18 4.19 0.34 7.34 2.56 -1.26 -4.96 118.70 129.08 2cr5 s GLU 77 Ca 0.96 0.26 0.13 0.00 0.00 0.00 0.00 54.97 56.32 2cr5 s GLU 77 Cb -1.20 -3.53 0.61 0.00 2.00 0.00 0.00 34.13 32.01 2cr5 s GLU 77 CO 0.65 -0.05 1.75 0.78 -0.56 0.00 0.00 175.26 177.83 2cr5 h GLY 78 N 7.64 0.00 0.00 -1.50 0.00 -2.00 -3.33 103.07 103.88 2cr5 h GLY 78 Ca -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 2cr5 h GLY 78 CO 0.72 0.00 -1.02 -1.33 0.00 0.00 0.00 176.54 174.91 2cr5 h GLY 79 N 1.45 0.00 -5.12 4.60 0.00 -2.01 -3.46 103.07 98.52 2cr5 h GLY 79 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2cr5 h GLY 79 CO 0.06 0.00 0.99 -0.56 0.00 0.00 0.00 176.54 177.03 2cr5 s SER 80 N -6.54 6.75 1.26 0.19 0.01 -1.25 -5.00 113.70 109.11 2cr5 s SER 80 Ca -0.25 2.14 -0.20 0.00 1.31 0.00 0.00 55.95 58.96 2cr5 s SER 80 Cb 0.05 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 64.03 2cr5 s SER 80 CO 0.49 -0.85 0.99 -1.54 0.41 0.00 0.00 173.24 172.74 2cr5 n SER 81 N 6.51 -2.26 0.16 2.44 3.41 -1.26 -4.41 113.62 118.21 2cr5 n SER 81 Ca 0.16 -1.08 -0.14 0.00 -0.26 0.00 0.00 58.87 57.54 2cr5 n SER 81 Cb 0.43 -0.93 -0.08 0.00 -0.26 0.00 0.00 64.21 63.37 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 -0.29 -1.04 1.04 3.38 -1.41 0.16 115.31 117.15 2cr5 h LEU 82 Ca -0.38 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2cr5 h LEU 82 Cb 1.17 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2cr5 h LEU 82 CO 0.25 -0.19 0.00 1.21 0.09 0.00 0.00 178.44 179.80 2cr5 n GLU 83 N -5.23 0.18 0.02 1.13 2.13 -1.21 -0.66 120.64 117.00 2cr5 n GLU 83 Ca -0.09 0.52 -0.22 0.00 0.66 0.00 0.00 57.16 58.03 2cr5 n GLU 83 Cb 0.16 -1.92 -0.14 0.00 0.27 0.00 0.00 31.44 29.81 2cr5 n GLU 83 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2cr5 h ASP 84 N 0.00 0.44 0.96 4.31 1.82 -1.62 -3.34 116.42 118.99 2cr5 h ASP 84 Ca 0.00 -0.88 -0.03 0.00 -0.39 0.00 0.00 57.03 55.73 2cr5 h ASP 84 Cb 0.22 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 2cr5 h ASP 84 CO 0.00 1.62 -0.15 0.16 -1.61 0.00 0.00 179.24 179.26 2cr5 h ILE 85 N -0.24 0.38 0.00 2.25 3.07 -0.64 -3.46 117.51 118.87 2cr5 h ILE 85 Ca -0.29 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.19 2cr5 h ILE 85 Cb 1.81 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 40.04 2cr5 h ILE 85 CO 0.09 0.15 0.00 0.61 -1.05 0.00 0.00 178.15 177.95 2cr5 n GLY 86 N 0.12 0.80 2.38 0.16 0.00 -0.85 -5.10 105.19 102.70 2cr5 n GLY 86 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 0.34 0.35 -0.61 2.08 0.16 -4.85 119.36 116.83 2cr5 n ILE 87 Ca 0.00 -4.34 0.04 0.00 0.56 0.00 0.00 62.75 59.01 2cr5 n ILE 87 Cb 0.00 -1.97 -0.03 0.00 -0.75 0.00 0.00 39.64 36.89 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 1.60 0.00 -4.09 1.39 -2.24 -1.26 -3.71 114.28 105.97 2cr5 n THR 88 Ca 0.25 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2cr5 n THR 88 Cb 0.46 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -1.57 0.14 -0.14 2.28 -7.23 -1.26 -4.86 120.40 107.77 2cr5 s VAL 89 Ca 0.04 -1.77 -0.32 0.00 -1.81 0.00 0.00 61.98 58.12 2cr5 s VAL 89 Cb 0.06 -1.78 -0.15 0.00 0.56 0.00 0.00 36.38 35.07 2cr5 s VAL 89 CO 0.28 -0.66 0.94 -0.90 -0.31 0.00 0.00 175.10 174.45 2cr5 n ASP 90 N -0.03 0.33 -3.79 4.85 5.68 -1.26 -4.75 116.55 117.58 2cr5 n ASP 90 Ca -0.09 0.87 -0.13 0.00 -0.50 0.00 0.00 54.79 54.94 2cr5 n ASP 90 Cb 0.63 -0.67 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2cr5 s THR 91 N 0.82 0.07 0.00 2.12 2.01 -0.81 -5.00 115.64 114.85 2cr5 s THR 91 Ca 0.71 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 62.23 2cr5 s THR 91 Cb -1.00 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2cr5 s THR 91 CO 0.49 -0.31 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.20 2cr5 s VAL 92 N -1.52 2.39 0.36 3.82 1.01 -1.26 -2.80 120.40 122.40 2cr5 s VAL 92 Ca -0.13 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.80 2cr5 s VAL 92 Cb -0.05 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2cr5 s VAL 92 CO 0.03 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 2cr5 s LEU 93 N -0.96 3.02 -0.02 3.92 1.43 0.61 -3.43 118.68 123.25 2cr5 s LEU 93 Ca 0.12 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2cr5 s LEU 93 Cb -0.10 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 2cr5 s LEU 93 CO 0.01 -0.32 -0.12 0.20 0.23 0.00 0.00 176.35 176.36 2cr5 s ASN 94 N -3.76 1.46 -0.30 2.29 0.01 0.35 -2.04 114.94 112.94 2cr5 s ASN 94 Ca 0.36 -0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 52.18 2cr5 s ASN 94 Cb 0.01 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.35 2cr5 s ASN 94 CO 0.20 0.11 0.18 -0.69 -1.51 0.00 0.00 177.10 175.39 2cr5 s VAL 95 N -0.03 4.97 0.27 1.60 1.01 -0.85 -0.26 120.40 127.10 2cr5 s VAL 95 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2cr5 s VAL 95 Cb -0.07 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2cr5 s VAL 95 CO 0.00 0.13 -0.01 -1.61 0.00 0.00 0.00 175.10 173.61 2cr5 s GLU 96 N 1.69 1.47 -0.00 2.72 0.41 -0.54 -4.42 118.70 120.02 2cr5 s GLU 96 Ca 0.06 -1.76 -0.17 0.00 -0.41 0.00 0.00 54.97 52.68 2cr5 s GLU 96 Cb -0.17 -0.84 -0.06 0.00 -1.78 0.00 0.00 34.13 31.29 2cr5 s GLU 96 CO 0.09 -0.07 0.49 -1.21 -0.49 0.00 0.00 175.26 174.06 2cr5 s GLU 97 N -3.83 4.13 0.37 1.61 2.02 -1.26 0.24 118.70 121.98 2cr5 s GLU 97 Ca 0.30 0.54 -0.24 0.00 0.02 0.00 0.00 54.97 55.60 2cr5 s GLU 97 Cb 0.06 -3.28 -0.10 0.00 0.10 0.00 0.00 34.13 30.90 2cr5 s GLU 97 CO 0.11 0.53 0.95 0.15 0.02 0.00 0.00 175.26 177.03 2cr5 s LYS 98 N -0.64 4.42 -0.10 1.61 1.02 -0.44 -4.83 119.74 120.77 2cr5 s LYS 98 Ca 0.26 1.26 -0.05 0.00 0.02 0.00 0.00 55.97 57.46 2cr5 s LYS 98 Cb -0.17 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2cr5 s LYS 98 CO 0.15 0.13 0.09 -2.00 -0.92 0.00 0.00 175.35 172.80 2cr5 s GLU 99 N -2.52 3.26 -1.28 1.68 2.56 -1.26 -4.44 118.70 116.70 2cr5 s GLU 99 Ca 0.55 -0.25 -0.07 0.00 0.00 0.00 0.00 54.97 55.21 2cr5 s GLU 99 Cb -0.15 -3.03 0.01 0.00 2.00 0.00 0.00 34.13 32.96 2cr5 s GLU 99 CO 0.20 0.74 1.10 1.04 -0.56 0.00 0.00 175.26 177.79 2cr5 n GLN 100 N 1.97 -7.41 -2.23 4.30 6.02 -1.26 -4.87 117.38 113.90 2cr5 n GLN 100 Ca -0.19 0.81 -0.32 0.00 -0.01 0.00 0.00 57.00 57.29 2cr5 n GLN 100 Cb 0.54 -5.77 -0.04 0.00 1.02 0.00 0.00 30.24 25.99 2cr5 n GLN 100 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cr5 s SER 101 N -3.56 5.61 0.17 1.08 0.15 -1.26 -4.94 113.70 110.96 2cr5 s SER 101 Ca 0.43 -1.02 0.11 0.00 0.70 0.00 0.00 55.95 56.17 2cr5 s SER 101 Cb -0.19 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 2cr5 s SER 101 CO 0.71 -2.33 -0.22 -0.44 1.20 0.00 0.00 173.24 172.16 2cr5 s SER 102 N 6.88 3.57 -0.30 5.45 0.01 -1.26 -5.10 113.70 122.95 2cr5 s SER 102 Ca 0.62 -0.78 -0.19 0.00 1.31 0.00 0.00 55.95 56.91 2cr5 s SER 102 Cb -0.04 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 2cr5 s SER 102 CO -0.03 0.13 0.55 -1.58 0.41 0.00 0.00 173.24 172.73 2cr5 s GLN 103 N -2.55 3.87 -0.25 12.44 -0.44 -1.26 -4.93 119.66 126.54 2cr5 s GLN 103 Ca 0.20 0.16 -0.13 0.00 -2.50 0.00 0.00 55.36 53.09 2cr5 s GLN 103 Cb -0.09 -3.73 -0.11 0.00 -1.64 0.00 0.00 33.01 27.45 2cr5 s GLN 103 CO 0.10 -0.52 -0.33 0.43 0.50 0.00 0.00 175.29 175.47 2cr5 n SER 104 N 5.72 1.83 0.00 6.67 7.64 -1.26 -5.11 113.62 129.11 2cr5 n SER 104 Ca -0.03 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2cr5 n SER 104 Cb 0.49 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2cr5 n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr5 n GLY 105 N 1.39 3.68 0.24 0.23 0.00 -1.26 -4.99 105.19 104.47 2cr5 n GLY 105 Ca -0.48 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.27 2cr5 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 h PRO 106 N 0.00 0.00 -7.52 1.61 0.13 -2.03 -3.44 132.00 120.75 2cr5 h PRO 106 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2cr5 h PRO 106 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 2cr5 h PRO 106 CO 0.00 0.17 0.29 -1.12 -0.23 0.00 0.00 178.00 177.11 2cr5 s SER 107 N -6.09 3.65 -0.30 1.44 0.01 -1.26 -5.11 113.70 106.04 2cr5 s SER 107 Ca -0.00 0.00 -0.15 0.00 1.31 0.00 0.00 55.95 57.11 2cr5 s SER 107 Cb 0.11 -0.19 0.16 0.00 0.21 0.00 0.00 66.02 66.31 2cr5 s SER 107 CO 0.61 -2.36 1.00 -0.94 0.41 0.00 0.00 173.24 171.96 2cr5 s SER 108 N -4.82 -0.55 0.00 2.44 1.04 -1.26 -5.17 113.70 105.37 2cr5 s SER 108 Ca 0.71 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2cr5 s SER 108 Cb -0.04 1.58 0.00 0.00 0.10 0.00 0.00 66.02 67.66 2cr5 s SER 108 CO 0.49 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.21